@text Kinemage Supplement to Branden & Tooze "Introduction to Protein Structure", Second Edition Chapter 18 - DETERMINATION OF PROTEIN STRUCTURES Contents of file c18StDet.kin: *{Kin 1}* Crystal packing for scorpion toxin (like Fig. 18.3) *{Kin 2}* Concanavalin A, colored by crystallographic B-factor *{Kin 3}* CCHC Zn finger: multiple NMR models (like Fig. 18.20) *{Kinemage 1}* shows the set of distinct crystal contacts that occur in the structure of a scorpion toxin solved at 1A resolution. The central reference molecule is in yellows, and is shown with all of its side chains and associated waters. It makes eight different contacts to other molecules, which are equivalent in pairs, so only one of each pair is shown, with close-ups in View2 - 5. The symmetry elements in this crystal are 4-fold and 2-fold screw rotations parallel to the cell axes (gray). To see those relationships, turn off "side ch" and "water" temporarily and look down the cell axes. View2 through 5 are close-ups of each of the distinct contacts, in order of how extensive they are. Such crystal contacts can be sufficient to give a high degree of order, but they are much weaker than the domain or subunit contacts found biologically. Typically, there is a relatively small amount of direct contact between protein atoms, while the rest is mediated by shared water molecules. *{Kinemage 2}* shows the Calpha backbone of Concanavalin A colored according to crystallographic B-factor (or temperature factor), by a black-body spectrum where blues and purples are the coldest (B < 10) and yellows and pale yellows are the hottest (B > 40). The B-factor is a measure of how spread-out the electron density is, which can be due to thermal motion, to static disorder, or to the effect of errors. Just as the resolution and R-value of an x-ray structure determination are the best guide to its overall accuracy, the B-factor is the best guide for estimating the accuracy of a local region within a structure. B-factors can easily be consulted, since they are given in the PDB file. This structure was solved at 1.2A resolution from data collected at cryogenic temperatures and refined to an R-value of 11.8%, and therefore the atomic positions and conformational angles are known with exceedingly great accuracy. The structure is also very well ordered, with very low B-factors for most of the backbone. However, even in such an unusually excellent structure, some local parts may be poorly determined because they are actually mobile. In this case, two loops at extreme ends of the molecule show very high B-factors; they probably have multiple conformations even for the backbone, and the electron density is too spread out to be interpreted well. For comparison, choose View2 and turn on side chains to see a well-ordered, accurately known region of buried beta-sheet. Click on atoms to get their B-values; even the side chains all have Bs below 10 in this region. Now choose View3 to see one of the high-B loops; here many side chains have Bs of 50 to 70, and even the backbone is 30-40. Also, most of the side chains have been fit in two alternate conformations. At very high resolution, the crystallographer is more likely to see multiple conformations for some of the side chains. Often each conformation is very well defined, as for the Ile in View4. Other times they are simply the best that can be done to fit a smeared-out region of electron density, as might be the case for the high-B Lys in View5. *{Kinemage 3}* shows the NMR structure of a CCHC Zn finger domain from the HIV gag protein, where the level of agreement among the multiple models gives a similar guide to local accuracy of the structure. Again, a large spread between models can be due to real motion in the molecule, to sparse data, or to errors. For the Zn finger, the Zn ligand side chains and most of the backbone are both well-ordered and well-determined, while the chain ends are either quite mobile or poorly known. For NMR, there is often independent evidence for mobility, as is true in this case for the chain termini. The other guide to accuracy of an NMR structure (which can be applied either globally or locally) is the number of experimental constraints (such as NOE's) per residue. Copyright 1999 Jane S. and David C. Richardson. Permission freely granted for educational, research, and personal use. For program updates and more information, see http://kinemage.biochem.duke.edu. @kinemage 1 @caption (similar to Fig. 18.3) Crystal contacts in the structure of a scorpion toxin, with waters. The central molecule is in yellow with gold side chains; the neighboring molecules are in greens, pinks, or blues, with side chains only in the contacts. Waters in contacts are colored to match the molecule the neighboring molecule, while the rest are red. View2 - 5 are closeups of each of the different crystal contacts. (from PDB file 1AHO) @onewidth @zoom 1.10 @zslab 180 @center 0 0 0 @matrix 0.511275 -.325012 .795591 .62181 .778927 -.081394 -.593253 .536321 .600342 @2viewid {g contact} @2zoom 2.67 @2zslab 130 @2center 10.012 1.401 -4.653 @2matrix -0.969677 -.006982 .24429 .239998 .161446 .957255 -.046123 .986857 -.154875 @3viewid {p contact} @3zoom 2.86 @3zslab 160 @3center -8.157 9.774 1.839 @3matrix -0.001217 -.99998 .006221 .989848 -.002089 -.142115 .142125 .005985 .98983 @4viewid {b contact} @4zoom 2.86 @4zslab 200 @4center -4.342 -4.188 8.028 @4matrix 0.489910 -.184269 .852075 .088292 .982867 .161790 -.86729 -.004031 .497785 @5viewid {b' contact} @5zoom 2.86 @5zslab 130 @5center -4.342 -1.747 -5.119 @5matrix -0.606072 .221094 -.764063 -.07486 .940473 .331521 .791879 .258124 -.553443 @master {side ch} @master {water} @group {cell} @vectorlist {axes} color= gray {O}P 0.000 0.000 0.000 {+X}45.901 0.000 0.000 {O}P 0.000 0.000 0.000 {+Y}0.000 40.700 0.000 {O}P 0.000 0.000 0.000 {+Z}0.000 0.000 30.100 @group {Scorp tox y} dominant @vectorlist {mc} color= yellowtint {n val 1}P -5.066 0.058 13.305 {ca val 1}-4.754 0.599 11.939 {c val 1}-3.621 1.579 12.121 {o val 1}-3.354 2.058 13.220 {c val 1}P -3.621 1.579 12.121 {n lys 2}-2.935 1.92 11.013 {ca lys 2}-1.807 2.822 11.065 {c lys 2}-1.672 3.493 9.703 {o lys 2}-2.14 3.055 8.683 {c lys 2}P -1.672 3.493 9.703 {n asp 3}-0.952 4.628 9.700 {ca asp 3}-0.648 5.35 8.487 {c asp 3}0.84 5.242 8.160 {o asp 3}1.633 5.085 9.122 {c asp 3}P 0.84 5.242 8.160 {n gly 4}1.236 5.367 6.913 {ca gly 4}2.647 5.435 6.627 {c gly 4}2.997 5.084 5.190 {o gly 4}2.152 4.86 4.320 {c gly 4}P 2.997 5.084 5.190 {n tyr 5}4.317 5.073 4.948 {ca tyr 5}4.851 4.743 3.624 {c tyr 5}4.902 3.253 3.458 {o tyr 5}5.649 2.562 4.175 {c tyr 5}P 4.902 3.253 3.458 {n ile 6}4.167 2.716 2.493 {ca ile 6}4.155 1.272 2.239 {c ile 6}5.483 0.86 1.615 {o ile 6}6.11 1.571 0.867 {c ile 6}P 5.483 0.86 1.615 {n val 7}5.886 -0.382 1.947 {ca val 7}7.128 -0.945 1.406 {c val 7}6.943 -2.384 0.982 {o val 7}5.968 -3.045 1.368 {c val 7}P 6.943 -2.384 0.982 {n asp 8}7.852 -2.885 0.152 {ca asp 8}7.938 -4.294 -0.248 {c asp 8}8.572 -5.038 0.949 {o asp 8}8.789 -4.536 2.050 {c asp 8}P 8.572 -5.038 0.949 {n asp 9}8.899 -6.313 0.690 {ca asp 9}9.454 -7.193 1.726 {c asp 9}10.865 -6.855 2.068 {o asp 9}11.365 -7.556 2.999 {c asp 9}P 10.865 -6.855 2.068 {n val 10}11.539 -5.98 1.374 {ca val 10}12.916 -5.644 1.707 {c val 10}13.068 -4.144 2.043 {o val 10}14.076 -3.57 1.917 {c val 10}P 13.068 -4.144 2.043 {n asn 11}11.936 -3.517 2.483 {ca asn 11}11.94 -2.158 2.979 {c asn 11}12.096 -1.088 1.929 {o asn 11}12.527 0.005 2.272 {c asn 11}P 12.096 -1.088 1.929 {n acys 12}11.777 -1.274 0.601 {c asn 11}P 12.096 -1.088 1.929 {n bcys 12}11.503 -1.503 0.812 {n acys 12}P 11.777 -1.274 0.601 {ca acys 12}11.811 -0.298 -0.455 {n bcys 12}P 11.503 -1.503 0.812 {ca bcys 12}11.623 -0.484 -0.262 {ca acys 12}P 11.811 -0.298 -0.455 {c acys 12}10.387 0.251 -0.721 {ca bcys 12}P 11.623 -0.484 -0.262 {c bcys 12}10.271 0.199 -0.506 {c acys 12}P 10.387 0.251 -0.721 {o acys 12}9.398 -0.462 -0.917 {c bcys 12}P 10.271 0.199 -0.506 {o bcys 12}9.28 -0.529 -0.459 {c acys 12}P 10.387 0.251 -0.721 {n thr 13}10.311 1.539 -0.709 {ca thr 13}9.068 2.293 -0.965 {c thr 13}8.609 2.174 -2.402 {o thr 13}9.341 1.771 -3.313 {c bcys 12}P 10.271 0.199 -0.506 {n thr 13}10.311 1.539 -0.709 {c thr 13}P 8.609 2.174 -2.402 {n tyr 14}7.335 2.541 -2.624 {ca tyr 14}6.674 2.496 -3.919 {c tyr 14}6.84 3.831 -4.650 {o tyr 14}6.256 4.851 -4.232 {c tyr 14}P 6.84 3.831 -4.650 {n phe 15}7.615 3.844 -5.714 {ca phe 15}7.753 5.017 -6.574 {c phe 15}6.395 5.378 -7.150 {o phe 15}5.604 4.519 -7.468 {c phe 15}P 6.395 5.378 -7.150 {n cys 16}6.165 6.679 -7.332 {ca cys 16}4.916 7.132 -7.901 {c cys 16}5.095 8.504 -8.553 {o cys 16}6.005 9.231 -8.253 {c cys 16}P 5.095 8.504 -8.553 {n gly 17}4.113 8.823 -9.417 {ca gly 17}3.942 10.152 -9.973 {c gly 17}2.535 10.693 -9.740 {o gly 17}2.387 11.926 -9.600 {c gly 17}P 2.535 10.693 -9.740 {n arg 18}1.558 9.847 -9.618 {ca arg 18}0.163 10.30 -9.501 {c arg 18}-0.498 9.862 -8.231 {o arg 18}-0.307 8.714 -7.772 {c arg 18}P -0.498 9.862 -8.231 {n asn 19}-1.363 10.688 -7.674 {ca asn 19}-2.058 10.30 -6.461 {c asn 19}-2.966 9.127 -6.651 {o asn 19}-3.066 8.242 -5.771 {c asn 19}P -2.966 9.127 -6.651 {n ala 20}-3.65 9.042 -7.798 {ca ala 20}-4.59 7.961 -8.024 {c ala 20}-3.934 6.593 -8.004 {o ala 20}-4.528 5.608 -7.577 {c ala 20}P -3.934 6.593 -8.004 {n tyr 21}-2.707 6.534 -8.541 {ca tyr 21}-1.943 5.282 -8.526 {c tyr 21}-1.735 4.846 -7.100 {o tyr 21}-1.952 3.665 -6.735 {c tyr 21}P -1.735 4.846 -7.100 {n cys 22}-1.30 5.749 -6.206 {ca cys 22}-1.096 5.365 -4.825 {c cys 22}-2.396 5.024 -4.126 {o cys 22}-2.425 4.122 -3.294 {c cys 22}P -2.396 5.024 -4.126 {n asn 23}-3.474 5.741 -4.437 {ca asn 23}-4.745 5.388 -3.810 {c asn 23}-5.07 3.928 -4.112 {o asn 23}-5.504 3.201 -3.219 {c asn 23}P -5.07 3.928 -4.112 {n glu 24}-4.881 3.516 -5.341 {ca glu 24}-5.136 2.127 -5.742 {c glu 24}-4.21 1.172 -5.012 {o glu 24}-4.678 0.155 -4.494 {c glu 24}P -4.21 1.172 -5.012 {n glu 25}-2.903 1.441 -4.966 {ca glu 25}-1.986 0.539 -4.309 {c glu 25}-2.315 0.431 -2.831 {o glu 25}-2.198 -0.652 -2.205 {c glu 25}P -2.315 0.431 -2.831 {n cys 26}-2.686 1.527 -2.178 {ca cys 26}-3.033 1.523 -0.782 {c cys 26}-4.307 0.712 -0.501 {o cys 26}-4.387 -0.002 0.502 {c cys 26}P -4.307 0.712 -0.501 {n thr 27}-5.286 0.822 -1.381 {ca thr 27}-6.533 0.077 -1.198 {c thr 27}-6.33 -1.426 -1.528 {o thr 27}-7.026 -2.268 -0.904 {c thr 27}P -6.33 -1.426 -1.528 {n lys 28}-5.405 -1.773 -2.375 {ca lys 28}-5.086 -3.185 -2.662 {c lys 28}-4.668 -3.833 -1.348 {o lys 28}-4.919 -5.054 -1.109 {c lys 28}P -4.668 -3.833 -1.348 {n leu 29}-3.945 -3.106 -0.474 {ca leu 29}-3.451 -3.542 0.820 {c leu 29}-4.455 -3.35 1.939 {o leu 29}-4.122 -3.584 3.124 {c leu 29}P -4.455 -3.35 1.939 {n lys 30}-5.687 -2.978 1.623 {ca lys 30}-6.779 -2.805 2.562 {c lys 30}-6.688 -1.536 3.408 {o lys 30}-7.351 -1.40 4.412 {c lys 30}P -6.688 -1.536 3.408 {n gly 31}-5.875 -0.579 2.961 {ca gly 31}-5.90 0.734 3.588 {c gly 31}-7.122 1.504 3.077 {o gly 31}-7.834 1.093 2.161 {c gly 31}P -7.122 1.504 3.077 {n glu 32}-7.359 2.624 3.705 {ca glu 32}-8.473 3.50 3.374 {c glu 32}-8.274 4.24 2.069 {o glu 32}-9.139 4.301 1.198 {c glu 32}P -8.274 4.24 2.069 {n ser 33}-7.085 4.864 1.908 {ca ser 33}-6.795 5.772 0.811 {c ser 33}-5.318 6.092 0.860 {o ser 33}-4.61 5.66 1.789 {c ser 33}P -5.318 6.092 0.860 {n gly 34}-4.831 6.815 -0.123 {ca gly 34}-3.458 7.257 -0.074 {c gly 34}-3.156 8.206 -1.216 {o gly 34}-4.036 8.514 -2.049 {c gly 34}P -3.156 8.206 -1.216 {n tyr 35}-1.902 8.672 -1.268 {ca tyr 35}-1.517 9.652 -2.271 {c tyr 35}-0.026 9.52 -2.521 {o tyr 35}0.677 8.786 -1.814 {c tyr 35}P -0.026 9.52 -2.521 {n cys 36}0.459 10.184 -3.560 {ca cys 36}1.875 10.178 -3.920 {c cys 36}2.556 11.357 -3.256 {o cys 36}2.291 12.516 -3.602 {c cys 36}P 2.556 11.357 -3.256 {n gln 37}3.423 11.07 -2.271 {ca gln 37}4.19 12.119 -1.631 {c gln 37}5.411 12.40 -2.520 {o gln 37}6.363 11.613 -2.559 {c gln 37}P 5.411 12.40 -2.520 {n trp 38}5.385 13.53 -3.229 {ca trp 38}6.538 13.919 -4.005 {c trp 38}7.588 14.407 -3.014 {o trp 38}7.344 15.048 -2.015 {c trp 38}P 7.588 14.407 -3.014 {n ala 39}8.828 14.084 -3.349 {ca ala 39}9.943 14.601 -2.543 {c ala 39}9.917 14.271 -1.068 {o ala 39}10.256 15.026 -0.201 {c ala 39}P 9.917 14.271 -1.068 {n ser 40}9.54 13.021 -0.752 {ca ser 40}9.712 12.471 0.580 {c ser 40}11.231 12.238 0.728 {o ser 40}11.987 12.329 -0.230 {c ser 40}P 11.231 12.238 0.728 {n pro 41}11.677 11.868 1.922 {ca pro 41}13.102 11.542 2.126 {c pro 41}13.555 10.358 1.282 {o pro 41}14.775 10.15 1.130 {c pro 41}P 13.555 10.358 1.282 {n tyr 42}12.633 9.621 0.696 {ca tyr 42}12.893 8.438 -0.118 {c tyr 42}12.605 8.705 -1.565 {o tyr 42}12.523 7.775 -2.385 {c tyr 42}P 12.605 8.705 -1.565 {n gly 43}12.464 9.97 -1.946 {ca gly 43}12.054 10.317 -3.316 {c gly 43}10.534 10.269 -3.361 {o gly 43}9.862 10.268 -2.301 {c gly 43}P 10.534 10.269 -3.361 {n asn 44}9.96 10.256 -4.520 {ca asn 44}8.498 10.152 -4.596 {c asn 44}8.089 8.784 -4.045 {o asn 44}8.648 7.755 -4.456 {c asn 44}P 8.089 8.784 -4.045 {n ala 45}7.115 8.772 -3.145 {ca ala 45}6.707 7.508 -2.518 {c ala 45}5.257 7.558 -2.132 {o ala 45}4.751 8.605 -1.644 {c ala 45}P 5.257 7.558 -2.132 {n cys 46}4.548 6.44 -2.268 {ca cys 46}3.165 6.376 -1.845 {c cys 46}3.054 6.354 -0.285 {o cys 46}3.774 5.646 0.420 {c cys 46}P 3.054 6.354 -0.285 {n tyr 47}2.095 7.147 0.193 {ca tyr 47}1.76 7.245 1.622 {c tyr 47}0.295 6.824 1.750 {o tyr 47}-0.55 7.304 0.984 {c tyr 47}P 0.295 6.824 1.750 {n cys 48}0.002 5.937 2.694 {ca cys 48}-1.332 5.405 2.872 {c cys 48}-1.882 5.722 4.254 {o cys 48}-1.161 5.793 5.261 {c cys 48}P -1.882 5.722 4.254 {n tyr 49}-3.209 5.855 4.333 {ca tyr 49}-3.936 6.044 5.581 {c tyr 49}-4.69 4.763 5.967 {o tyr 49}-5.29 4.128 5.107 {c tyr 49}P -4.69 4.763 5.967 {n lys 50}-4.674 4.486 7.239 {ca lys 50}-5.491 3.412 7.821 {c lys 50}-5.249 2.041 7.215 {o lys 50}-6.167 1.273 6.948 {c lys 50}P -5.249 2.041 7.215 {n leu 51}-3.969 1.695 7.094 {ca leu 51}-3.602 0.341 6.761 {c leu 51}-3.834 -0.589 7.938 {o leu 51}-3.719 -0.214 9.087 {c leu 51}P -3.834 -0.589 7.938 {n pro 52}-4.104 -1.871 7.664 {ca pro 52}-4.128 -2.838 8.755 {c pro 52}-2.747 -2.876 9.447 {o pro 52}-1.684 -2.689 8.855 {c pro 52}P -2.747 -2.876 9.447 {n asp 53}-2.771 -3.262 10.729 {ca asp 53}-1.576 -3.311 11.539 {c asp 53}-0.564 -4.337 11.063 {o asp 53}0.605 -4.23 11.405 {c asp 53}P -0.564 -4.337 11.063 {n his 54}-1.002 -5.335 10.296 {ca his 54}-0.071 -6.346 9.829 {c his 54}0.751 -5.908 8.633 {o his 54}1.771 -6.57 8.332 {c his 54}P 0.751 -5.908 8.633 {n val 55}0.418 -4.80 7.958 {ca val 55}1.158 -4.351 6.765 {c val 55}2.456 -3.699 7.156 {o val 55}2.463 -2.876 8.093 {c val 55}P 2.456 -3.699 7.156 {n arg 56}3.544 -4.001 6.481 {ca arg 56}4.815 -3.37 6.745 {c arg 56}4.863 -1.961 6.158 {o arg 56}4.546 -1.753 4.995 {c arg 56}P 4.863 -1.961 6.158 {n thr 57}5.309 -1.02 6.984 {ca thr 57}5.597 0.332 6.527 {c thr 57}7.104 0.59 6.740 {o thr 57}7.80 -0.159 7.424 {c thr 57}P 7.104 0.59 6.740 {n lys 58}7.579 1.686 6.159 {ca lys 58}9.001 1.95 6.152 {c lys 58}9.625 2.028 7.516 {o lys 58}9.147 2.691 8.443 {c lys 58}P 9.625 2.028 7.516 {n gly 59}10.758 1.347 7.663 {ca gly 59}11.598 1.397 8.862 {c gly 59}12.99 1.816 8.482 {o gly 59}13.277 2.118 7.314 {c gly 59}P 12.99 1.816 8.482 {n pro 60}13.895 1.827 9.451 {ca pro 60}15.259 2.242 9.192 {c pro 60}15.959 1.321 8.222 {o pro 60}15.702 0.132 8.143 {c pro 60}P 15.959 1.321 8.222 {n gly 61}16.881 1.916 7.457 {ca gly 61}17.676 1.218 6.461 {c gly 61}17.305 1.787 5.111 {o gly 61}16.118 1.916 4.748 {c gly 61}P 17.305 1.787 5.111 {n arg 62}18.309 2.05 4.286 {ca arg 62}18.10 2.624 2.975 {c arg 62}17.834 1.542 1.936 {o arg 62}18.50 0.53 1.866 {c arg 62}P 17.834 1.542 1.936 {n acys 63}16.871 1.817 1.057 {c arg 62}P 17.834 1.542 1.936 {n bcys 63}16.797 1.803 1.157 {n acys 63}P 16.871 1.817 1.057 {ca acys 63}16.527 0.904 -0.048 {n bcys 63}P 16.797 1.803 1.157 {ca bcys 63}16.504 1.194 -0.118 {ca acys 63}P 16.527 0.904 -0.048 {c acys 63}16.031 1.87 -1.097 {ca bcys 63}P 16.504 1.194 -0.118 {c bcys 63}16.161 2.287 -1.131 {c acys 63}P 16.031 1.87 -1.097 {o acys 63}15.103 2.665 -0.799 {c bcys 63}P 16.161 2.287 -1.131 {o bcys 63}15.365 3.212 -0.939 {c acys 63}P 16.031 1.87 -1.097 {n his 64}16.667 1.98 -2.306 {ca his 64}16.335 2.912 -3.371 {c his 64}16.238 2.182 -4.697 {o his 64}15.051 1.876 -5.120 {c his 64}P 16.238 2.182 -4.697 {oxt his 64}17.303 1.884 -5.289 {c bcys 63}P 16.161 2.287 -1.131 {n his 64}16.667 1.98 -2.306 @vectorlist {sc} color= gold master= {side ch} {ca val 1}P -4.754 0.599 11.939 {cb val 1}-5.946 1.219 11.203 {cg1 val 1}-6.989 0.144 10.973 {cb val 1}P -5.946 1.219 11.203 {cg2 val 1}-6.494 2.382 11.998 {ca lys 2}P -1.807 2.822 11.065 {cb lys 2}-0.538 2.074 11.385 {cg lys 2}-0.119 1.073 10.366 {cd lys 2}1.304 0.595 10.669 {ce lys 2}1.581 -0.556 9.740 {nz lys 2}3.015 -0.908 9.879 {ca asp 3}P -0.648 5.35 8.487 {cb asp 3}-0.937 6.855 8.655 {cg asp 3}-2.359 7.175 9.091 {od1 asp 3}-3.28 6.409 8.885 {cg asp 3}P -2.359 7.175 9.091 {od2 asp 3}-2.501 8.311 9.661 {ca tyr 5}P 4.851 4.743 3.624 {cb tyr 5}6.255 5.298 3.473 {cg tyr 5}6.326 6.818 3.470 {cd1 tyr 5}6.072 7.532 2.327 {ce1 tyr 5}6.177 8.928 2.319 {cz tyr 5}6.552 9.573 3.449 {oh tyr 5}6.666 10.964 3.420 {cg tyr 5}P 6.326 6.818 3.470 {cd2 tyr 5}6.707 7.508 4.619 {ce2 tyr 5}6.799 8.889 4.612 {cz tyr 5}6.552 9.573 3.449 {ca ile 6}P 4.155 1.272 2.239 {cb ile 6}2.955 0.878 1.372 {cg1 ile 6}2.766 1.753 0.138 {cd1 ile 6}1.771 1.19 -0.861 {cb ile 6}P 2.955 0.878 1.372 {cg2 ile 6}1.728 0.823 2.290 {ca val 7}P 7.128 -0.945 1.406 {cb val 7}8.256 -0.913 2.455 {cg1 val 7}8.703 0.534 2.700 {cb val 7}P 8.256 -0.913 2.455 {cg2 val 7}7.893 -1.608 3.748 {ca asp 8}P 7.938 -4.294 -0.248 {cb asp 8}8.682 -4.497 -1.547 {cg asp 8}10.134 -4.14 -1.565 {od1 asp 8}10.659 -3.821 -0.483 {cg asp 8}P 10.134 -4.14 -1.565 {od2 asp 8}10.724 -4.16 -2.677 {ca asp 9}P 9.454 -7.193 1.726 {cb asp 9}9.308 -8.657 1.265 {cg aasp 9}10.198 -9.003 0.070 {od1aasp 9}10.052 -8.373 -1.046 {cb asp 9}P 9.308 -8.657 1.265 {cg basp 9}7.851 -9.10 1.119 {od1basp 9}7.259 -9.001 -0.022 {ca val 10}P 12.916 -5.644 1.707 {cb val 10}13.932 -6.097 0.625 {cg1 val 10}13.984 -7.617 0.485 {cb val 10}P 13.932 -6.097 0.625 {cg2 val 10}13.668 -5.443 -0.718 {ca asn 11}P 11.94 -2.158 2.979 {cb asn 11}12.986 -2.002 4.112 {cg asn 11}12.724 -0.798 5.024 {od1 asn 11}11.592 -0.56 5.466 {cg asn 11}P 12.724 -0.798 5.024 {nd2 asn 11}13.78 -0.071 5.346 {ca thr 13}P 9.068 2.293 -0.965 {cb thr 13}9.25 3.761 -0.538 {og1 thr 13}10.462 4.274 -1.095 {cb thr 13}P 9.25 3.761 -0.538 {cg2 thr 13}9.324 3.905 0.971 {ca tyr 14}P 6.674 2.496 -3.919 {cb tyr 14}5.179 2.245 -3.759 {cg tyr 14}4.707 0.851 -3.440 {cd1 tyr 14}5.061 0.208 -2.279 {ce1 tyr 14}4.563 -1.057 -1.978 {cz tyr 14}3.66 -1.621 -2.837 {oh tyr 14}3.108 -2.87 -2.523 {cg tyr 14}P 4.707 0.851 -3.440 {cd2 tyr 14}3.808 0.243 -4.300 {ce2 tyr 14}3.274 -0.998 -3.988 {cz tyr 14}3.66 -1.621 -2.837 {ca phe 15}P 7.753 5.017 -6.574 {cb phe 15}8.752 4.691 -7.717 {cg phe 15}8.811 5.858 -8.665 {cd1 phe 15}9.547 6.984 -8.325 {ce1 phe 15}9.531 8.12 -9.145 {cz phe 15}8.77 8.118 -10.279 {cg phe 15}P 8.811 5.858 -8.665 {cd2 phe 15}8.072 5.871 -9.823 {ce2 phe 15}8.038 7.002 -10.634 {cz phe 15}8.77 8.118 -10.279 {ca arg 18}P 0.163 10.30 -9.501 {cb arg 18}-0.666 9.718 -10.643 {cg arg 18}-0.267 10.158 -12.033 {cd arg 18}-1.116 9.474 -13.101 {ne arg 18}-1.042 8.024 -13.088 {cz arg 18}0.049 7.28 -13.213 {nh1 arg 18}1.237 7.847 -13.407 {cz arg 18}P 0.049 7.28 -13.213 {nh2 arg 18}-0.022 5.96 -13.116 {ca asn 19}P -2.058 10.30 -6.461 {cb asn 19}-2.87 11.496 -5.945 {cg asn 19}-1.986 12.577 -5.392 {od1 asn 19}-0.84 12.35 -4.997 {cg asn 19}P -1.986 12.577 -5.392 {nd2 asn 19}-2.493 13.807 -5.344 {ca ala 20}P -4.59 7.961 -8.024 {cb ala 20}-5.40 8.141 -9.310 {ca tyr 21}P -1.943 5.282 -8.526 {cb tyr 21}-0.619 5.486 -9.259 {cg tyr 21}0.371 4.36 -9.016 {cd1 tyr 21}0.181 3.112 -9.608 {ce1 tyr 21}1.067 2.075 -9.388 {cz tyr 21}2.102 2.262 -8.505 {oh tyr 21}2.947 1.179 -8.287 {cg tyr 21}P 0.371 4.36 -9.016 {cd2 tyr 21}1.434 4.494 -8.115 {ce2 tyr 21}2.288 3.453 -7.861 {cz tyr 21}2.102 2.262 -8.505 {ca asn 23}P -4.745 5.388 -3.810 {cb asn 23}-5.845 6.337 -4.252 {cg asn 23}-7.03 6.21 -3.324 {od1 asn 23}-6.971 6.627 -2.180 {cg asn 23}P -7.03 6.21 -3.324 {nd2 asn 23}-8.149 5.68 -3.809 {ca glu 24}P -5.136 2.127 -5.742 {cb glu 24}-4.965 1.952 -7.249 {cg aglu 24}-5.938 2.589 -8.197 {cd aglu 24}-5.45 2.702 -9.627 {oe1aglu 24}-4.535 1.98 -10.096 {cb glu 24}P -4.965 1.952 -7.249 {cg bglu 24}-5.083 0.492 -7.667 {cd bglu 24}-5.516 0.208 -9.078 {oe1bglu 24}-5.56 1.17 -9.874 {cd aglu 24}P -5.45 2.702 -9.627 {oe2aglu 24}-5.987 3.569 -10.363 {cd bglu 24}P -5.516 0.208 -9.078 {oe2bglu 24}-5.825 -0.966 -9.404 {ca glu 25}P -1.986 0.539 -4.309 {cb glu 25}-0.531 0.944 -4.553 {cg glu 25}-0.126 0.766 -6.017 {cd glu 25}-0.247 -0.643 -6.553 {oe1 glu 25}0.121 -1.596 -5.871 {cd glu 25}P -0.247 -0.643 -6.553 {oe2 glu 25}-0.773 -0.812 -7.683 {ca thr 27}P -6.533 0.077 -1.198 {cb thr 27}-7.73 0.691 -1.906 {og1 thr 27}-7.464 0.694 -3.280 {cb thr 27}P -7.73 0.691 -1.906 {cg2 thr 27}-8.019 2.132 -1.466 {ca lys 28}P -5.086 -3.185 -2.662 {cb lys 28}-3.977 -3.367 -3.676 {cg lys 28}-4.342 -3.101 -5.119 {cd lys 28}-3.168 -3.379 -6.034 {ce lys 28}-3.44 -3.02 -7.488 {nz lys 28}-2.174 -3.122 -8.245 {ca leu 29}P -3.451 -3.542 0.820 {cb leu 29}-2.116 -2.869 1.159 {cg leu 29}-0.996 -3.117 0.174 {cd1 leu 29}0.196 -2.207 0.418 {cg leu 29}P -0.996 -3.117 0.174 {cd2 leu 29}-0.53 -4.569 0.233 {ca lys 30}P -6.779 -2.805 2.562 {cb lys 30}-7.08 -4.048 3.415 {cg lys 30}-7.393 -5.279 2.581 {ca glu 32}P -8.473 3.50 3.374 {cb glu 32}-8.611 4.567 4.489 {cg glu 32}-9.704 5.60 4.243 {cd glu 32}-9.458 6.927 4.880 {oe1 glu 32}-8.544 7.631 4.503 {cd glu 32}P -9.458 6.927 4.880 {oe2 glu 32}-10.213 7.269 5.813 {ca ser 33}P -6.795 5.772 0.811 {cb ser 33}-7.59 7.061 1.011 {og ser 33}-7.135 7.787 2.147 {ca tyr 35}P -1.517 9.652 -2.271 {cb tyr 35}-1.893 11.095 -1.817 {cg tyr 35}-1.019 11.612 -0.699 {cd1 tyr 35}-1.219 11.242 0.632 {ce1 tyr 35}-0.388 11.662 1.636 {cz tyr 35}0.679 12.485 1.343 {oh tyr 35}1.521 12.888 2.359 {cg tyr 35}P -1.019 11.612 -0.699 {cd2 tyr 35}0.043 12.484 -0.944 {ce2 tyr 35}0.89 12.904 0.047 {cz tyr 35}0.679 12.485 1.343 {ca gln 37}P 4.19 12.119 -1.631 {cb gln 37}4.656 11.71 -0.231 {cg gln 37}5.54 12.73 0.464 {cd gln 37}4.801 13.995 0.780 {oe1 gln 37}3.848 13.963 1.587 {cd gln 37}P 4.801 13.995 0.780 {ne2 gln 37}5.103 15.102 0.112 {ca trp 38}P 6.538 13.919 -4.005 {cb trp 38}6.185 15.063 -4.980 {cg trp 38}5.545 14.544 -6.214 {cd1 trp 38}4.339 13.901 -6.347 {ne1 trp 38}4.122 13.54 -7.641 {ce2 trp 38}5.20 13.901 -8.403 {ne1 trp 38}4.122 13.54 -7.641 {cg trp 38}P 5.545 14.544 -6.214 {cd2 trp 38}6.094 14.551 -7.550 {ce2 trp 38}5.20 13.901 -8.403 {cz2 trp 38}5.417 13.747 -9.776 {ch2 trp 38}6.583 14.237 -10.272 {cd2 trp 38}P 6.094 14.551 -7.550 {ce3 trp 38}7.30 15.031 -8.090 {cz3 trp 38}7.513 14.866 -9.443 {ch2 trp 38}6.583 14.237 -10.272 {ca ala 39}P 9.943 14.601 -2.543 {cb ala 39}10.173 16.108 -2.729 {ca ser 40}P 9.712 12.471 0.580 {cb ser 40}8.967 11.144 0.715 {og ser 40}9.76 10.023 0.326 {ca pro 41}P 13.102 11.542 2.126 {cb pro 41}13.239 11.236 3.617 {cg pro 41}12.017 11.827 4.236 {cd pro 41}10.924 11.783 3.171 {n pro 41}P 11.677 11.868 1.922 {cd pro 41}10.924 11.783 3.171 {ca tyr 42}P 12.893 8.438 -0.118 {cb tyr 42}11.997 7.27 0.377 {cg tyr 42}11.86 7.26 1.880 {cd1 tyr 42}12.968 7.048 2.672 {ce1 tyr 42}12.885 7.095 4.050 {cz tyr 42}11.665 7.302 4.649 {oh tyr 42}11.571 7.341 6.031 {cg tyr 42}P 11.86 7.26 1.880 {cd2 tyr 42}10.64 7.484 2.517 {ce2 tyr 42}10.54 7.506 3.895 {cz tyr 42}11.665 7.302 4.649 {ca asn 44}P 8.498 10.152 -4.596 {cb asn 44}8.009 10.254 -6.018 {cg asn 44}8.239 11.591 -6.714 {od1 asn 44}8.731 12.521 -6.107 {cg asn 44}P 8.239 11.591 -6.714 {nd2 asn 44}7.855 11.621 -7.986 {ca ala 45}P 6.707 7.508 -2.518 {cb ala 45}7.531 7.281 -1.258 {ca tyr 47}P 1.76 7.245 1.622 {cb tyr 47}1.94 8.676 2.105 {cg tyr 47}1.811 8.865 3.600 {cd1 tyr 47}0.572 8.998 4.224 {ce1 tyr 47}0.453 9.156 5.594 {cz tyr 47}1.581 9.126 6.377 {oh tyr 47}1.48 9.304 7.750 {cg tyr 47}P 1.811 8.865 3.600 {cd2 tyr 47}2.925 8.833 4.415 {ce2 tyr 47}2.825 8.984 5.793 {cz tyr 47}1.581 9.126 6.377 {ca tyr 49}P -3.936 6.044 5.581 {cb tyr 49}-4.96 7.17 5.420 {cg tyr 49}-4.315 8.511 5.198 {cd1 tyr 49}-3.783 9.215 6.256 {ce1 tyr 49}-3.217 10.479 6.069 {cz tyr 49}-3.195 11.023 4.822 {oh tyr 49}-2.674 12.287 4.618 {cg tyr 49}P -4.315 8.511 5.198 {cd2 tyr 49}-4.292 9.095 3.939 {ce2 tyr 49}-3.719 10.353 3.740 {cz tyr 49}-3.195 11.023 4.822 {ca lys 50}P -5.491 3.412 7.821 {cb lys 50}-6.983 3.783 7.840 {cg lys 50}-7.273 5.057 8.588 {cd lys 50}-8.772 5.315 8.711 {ce lys 50}-9.006 6.662 9.378 {ca leu 51}P -3.602 0.341 6.761 {cb leu 51}-2.083 0.293 6.501 {cg leu 51}-1.593 1.085 5.309 {cd1 leu 51}-0.089 1.311 5.420 {cg leu 51}P -1.593 1.085 5.309 {cd2 leu 51}-1.886 0.377 3.990 {ca pro 52}P -4.128 -2.838 8.755 {cb pro 52}-4.342 -4.188 8.028 {cg pro 52}-4.901 -3.836 6.695 {cd pro 52}-4.348 -2.454 6.351 {n pro 52}P -4.104 -1.871 7.664 {cd pro 52}-4.348 -2.454 6.351 {ca asp 53}P -1.576 -3.311 11.539 {cb asp 53}-1.962 -3.609 12.998 {cg asp 53}-2.72 -2.538 13.699 {od1 asp 53}-2.622 -1.348 13.352 {cg asp 53}P -2.72 -2.538 13.699 {od2 asp 53}-3.392 -2.87 14.736 {ca his 54}P -0.071 -6.346 9.829 {cb his 54}-0.816 -7.647 9.493 {cg his 54}-1.841 -7.528 8.418 {nd1 his 54}-1.679 -7.407 7.089 {ce1 his 54}-2.933 -7.398 6.497 {ne2 his 54}-3.814 -7.506 7.472 {ce1 his 54}-2.933 -7.398 6.497 {cg his 54}P -1.841 -7.528 8.418 {cd2 his 54}-3.192 -7.617 8.632 {ne2 his 54}-3.814 -7.506 7.472 {ce1 his 54}-2.933 -7.398 6.497 {ca val 55}P 1.158 -4.351 6.765 {cb val 55}0.27 -3.375 5.947 {cg1 val 55}1.031 -2.691 4.820 {cb val 55}P 0.27 -3.375 5.947 {cg2 val 55}-0.955 -4.071 5.388 {ca arg 56}P 4.815 -3.37 6.745 {cb arg 56}5.957 -4.194 6.135 {cg arg 56}7.336 -3.772 6.602 {cd arg 56}8.473 -4.482 5.849 {ne arg 56}8.738 -5.853 6.319 {cz arg 56}9.493 -6.122 7.380 {nh1 arg 56}10.049 -5.127 8.062 {cz arg 56}P 9.493 -6.122 7.380 {nh2 arg 56}9.711 -7.382 7.734 {ca thr 57}P 5.597 0.332 6.527 {cb thr 57}4.713 1.382 7.180 {og1 thr 57}4.707 1.195 8.609 {cb thr 57}P 4.713 1.382 7.180 {cg2 thr 57}3.295 1.28 6.638 {ca lys 58}P 9.001 1.95 6.152 {cb lys 58}9.209 3.274 5.382 {cg lys 58}10.673 3.678 5.203 {cd lys 58}11.424 2.783 4.234 {ce lys 58}12.841 3.267 4.022 {nz lys 58}13.586 2.453 3.023 {ca pro 60}P 15.259 2.242 9.192 {cb pro 60}15.927 2.223 10.577 {cg pro 60}15.069 1.31 11.409 {cd pro 60}13.672 1.471 10.862 {n pro 60}P 13.895 1.827 9.451 {cd pro 60}13.672 1.471 10.862 {ca arg 62}P 18.10 2.624 2.975 {cb arg 62}19.319 3.473 2.590 {cg arg 62}19.054 4.313 1.352 {cd arg 62}19.888 5.584 1.258 {ne arg 62}19.493 6.321 0.054 {cz arg 62}20.081 6.002 -1.074 {nh1 arg 62}21.049 5.118 -1.093 {cz arg 62}P 20.081 6.002 -1.074 {nh2 arg 62}19.688 6.575 -2.209 {ca his 64}P 16.335 2.912 -3.371 {cb his 64}17.38 4.037 -3.368 {cg his 64}17.149 5.121 -4.362 {nd1 his 64}15.991 5.895 -4.340 {ce1 his 64}16.06 6.755 -5.334 {ne2 his 64}17.182 6.596 -5.997 {ce1 his 64}16.06 6.755 -5.334 {cg his 64}P 17.149 5.121 -4.362 {cd2 his 64}17.886 5.559 -5.401 {ne2 his 64}17.182 6.596 -5.997 {ce1 his 64}16.06 6.755 -5.334 @vectorlist {SS} color= yellow {ca acys 12}P 11.811 -0.298 -0.455 {cb acys 12}12.294 -0.762 -1.828 {sg acys 12}13.992 -0.38 -2.264 {sg acys 63}15.153 -1.347 -0.932 {cb acys 63}15.514 -0.162 0.380 {ca acys 63}16.527 0.904 -0.048 {ca cys 16}P 4.916 7.132 -7.901 {cb cys 16}3.857 7.235 -6.794 {sg cys 16}4.339 8.344 -5.401 {sg cys 36}3.743 10.20 -5.981 {cb cys 36}2.038 10.268 -5.435 {ca cys 36}1.875 10.178 -3.920 {ca cys 22}P -1.096 5.365 -4.825 {cb cys 22}-0.39 6.501 -4.099 {sg cys 22}1.328 6.728 -4.582 {sg cys 46}2.25 4.981 -4.129 {cb cys 46}2.493 5.107 -2.312 {ca cys 46}3.165 6.376 -1.845 {ca cys 26}P -3.033 1.523 -0.782 {cb cys 26}-3.25 2.95 -0.289 {sg cys 26}-1.746 3.969 -0.276 {sg cys 48}-0.637 3.205 1.222 {cb cys 48}-1.353 3.883 2.735 {ca cys 48}-1.332 5.405 2.872 @balllist {water} color= red master= {water} radius= 0.100 {o hoh 1}18.211 -2.172 -2.443 {o hoh 2}18.413 -0.321 -2.910 {o hoh 3}19.184 0.597 -2.439 {o hoh 4}20.476 2.361 -2.599 {o hoh 5}2.334 -0.608 14.844 {o hoh 6}0.569 -1.058 14.111 {o hoh 7}-0.459 -0.056 14.527 {o hoh 11}6.562 3.125 9.158 {o hoh 12}6.827 1.942 10.104 {o hoh 15}16.785 -3.92 2.003 {o hoh 16}18.164 -2.057 0.700 {o hoh 17}16.489 -3.841 0.886 {o hoh 18}17.377 -4.392 -1.182 {o hoh 19}16.023 -4.10 -3.238 {o hoh 21}1.104 14.253 -8.682 {o hoh 22}1.017 14.024 -6.845 {o hoh 23}1.178 14.51 -5.280 {o hoh 24}-0.797 16.21 -5.093 {o hoh 25}0.90 15.002 -3.576 {o hoh 26}3.317 15.681 -2.773 {o hoh 27}2.147 15.65 -1.222 {o hoh 28}-0.002 16.297 -1.005 {o hoh 36}18.072 4.481 8.399 {o hoh 37}17.168 4.788 7.303 {o hoh 38}17.694 6.221 5.969 {o hoh 39}16.945 5.643 4.121 {o hoh 40}15.558 4.729 5.896 {o hoh 41}14.558 4.748 6.682 {o hoh 42}12.946 5.321 7.755 {o hoh 43}9.521 -5.16 -4.813 {o hoh 46}6.983 -7.442 4.545 {o hoh 47}7.708 -8.629 4.854 {o hoh 51}17.83 7.974 -8.616 {o hoh 61}11.142 -2.998 8.525 {o hoh 62}10.696 -2.257 7.773 {o hoh 63}9.975 -2.071 7.087 {o hoh 66}-8.777 0.766 6.869 {o hoh 67}-7.56 -1.063 7.313 {o hoh 71}-10.439 0.757 1.305 {o hoh 72}-9.795 -0.914 0.834 {o hoh 76}23.032 1.189 3.627 {o hoh 77}21.133 -0.158 2.878 {o hoh 101}5.857 3.956 -0.483 {o hoh 102}13.581 -1.50 8.886 {o hoh 103}12.702 3.158 0.230 {o hoh 104}15.45 4.33 1.963 {o hoh 105}-11.172 9.757 6.769 {o hoh 106}-6.086 10.105 -2.977 {o hoh 107}5.306 1.875 -7.248 {o hoh 108}11.455 7.241 -4.979 {o hoh 109}-10.085 5.158 -1.416 {o hoh 110}5.985 5.173 7.366 {o hoh 111}9.756 5.192 -3.535 {o hoh 112}15.329 5.916 -0.289 {o hoh 113}-4.019 11.294 -9.556 {o hoh 114}-12.25 6.071 6.986 {o hoh 115}-0.007 -2.502 -3.394 {o hoh 116}13.585 5.201 -2.624 {o hoh 117}12.399 2.776 -3.695 {o hoh 118}-6.674 10.34 1.218 {o hoh 119}2.264 7.058 -10.680 {o hoh 120}-0.711 10.178 9.044 {o hoh 121}-5.516 -3.539 11.883 {o hoh 122}21.023 1.439 5.345 {o hoh 123}16.858 7.651 -1.907 {o hoh 124}13.287 -4.092 -3.879 {o hoh 130}-4.395 5.197 11.259 {o hoh 131}3.53 -2.582 2.509 {o hoh 132}5.705 -5.73 2.649 {o hoh 133}-1.338 13.416 -8.740 {o hoh 134}3.346 -5.857 4.132 {o hoh 135}-3.087 -6.246 3.513 {o hoh 136}-0.221 5.73 12.384 {o hoh 137}-6.495 9.737 -5.810 {o hoh 138}-7.008 -2.036 13.714 {o hoh 139}16.463 -1.282 4.278 {o hoh 140}-5.708 7.923 9.296 {o hoh 141}-2.273 0.495 -9.570 {o hoh 142}-7.692 10.008 5.442 {o hoh 143}3.487 9.36 9.390 {o hoh 144}7.064 12.477 5.494 {o hoh 145}0.734 -7.651 5.436 {o hoh 147}10.353 17.192 -6.823 {o hoh 148}-7.419 5.584 -7.425 {o hoh 149}-5.85 1.829 15.388 {o hoh 150}14.375 12.331 7.160 {o hoh 151}6.711 17.738 -1.638 {o hoh 152}-4.532 10.076 9.894 {o hoh 153}-6.206 12.097 -7.576 {o hoh 160}1.534 -3.518 -7.295 {o hoh 161}17.825 7.557 2.441 {o hoh 162}16.158 5.965 10.301 {o hoh 163}-9.081 2.095 -5.244 {o hoh 164}2.374 13.161 -12.571 {o hoh 165}11.42 17.774 0.118 {o hoh 166}-0.61 -7.173 2.804 {o hoh 167}-4.411 -1.421 16.558 {o hoh 168}3.54 3.568 10.085 {o hoh 169}-10.762 1.952 5.470 {o hoh 170}3.786 -4.313 -0.330 {o hoh 171}-4.342 -7.335 1.073 {o hoh 172}-3.762 -2.249 -10.538 {o hoh 174}-4.38 -6.147 10.707 {o hoh 175}-9.196 -3.687 -2.583 {o hoh 176}-0.246 -5.749 -3.302 {o hoh 177}4.956 3.977 -10.505 {o hoh 178}4.172 6.512 9.615 {o hoh 179}-10.21 -1.644 -6.176 {o hoh 180}-8.003 -1.751 -4.800 {o hoh 181}8.251 15.717 1.614 {o hoh 182}-6.862 5.777 12.505 {o hoh 183}-11.272 4.607 -3.633 {o hoh 184}1.913 11.489 -14.698 {o hoh 187}-10.158 1.967 9.818 {o hoh 190}12.149 -10.071 2.395 {o hoh 191}11.099 11.413 -9.583 {o hoh 192}-2.932 3.951 -12.073 {o hoh 193}2.346 -5.486 1.993 {o hoh 195}-0.184 8.566 11.895 {o hoh 197}13.934 9.304 7.055 {o hoh 198}-7.251 1.482 -12.526 {o hoh 199}-7.764 -3.275 9.377 {o hoh 200}11.738 14.971 6.074 {o hoh 202}-1.127 3.402 14.542 {o hoh 203}-4.92 5.825 -12.112 {o hoh 204}6.842 10.673 -11.010 {o hoh 205}1.94 3.259 -13.139 {o hoh 206}8.906 6.355 7.428 @group {Sc tox g} dominant @subgroup {} nobutton @vectorlist {mc} color= greentint {n val 1}P 28.017 -0.058 -1.745 {ca val 1}27.705 -0.599 -3.111 {c val 1}26.572 -1.579 -2.929 {o val 1}26.305 -2.058 -1.830 {c val 1}P 26.572 -1.579 -2.929 {n lys 2}25.886 -1.92 -4.037 {ca lys 2}24.758 -2.822 -3.985 {c lys 2}24.623 -3.493 -5.347 {o lys 2}25.091 -3.055 -6.367 {c lys 2}P 24.623 -3.493 -5.347 {n asp 3}23.903 -4.628 -5.350 {ca asp 3}23.599 -5.35 -6.563 {c asp 3}22.111 -5.242 -6.890 {o asp 3}21.318 -5.085 -5.928 {c asp 3}P 22.111 -5.242 -6.890 {n gly 4}21.715 -5.367 -8.137 {ca gly 4}20.304 -5.435 -8.423 {c gly 4}19.954 -5.084 -9.860 {o gly 4}20.799 -4.86 -10.730 {c gly 4}P 19.954 -5.084 -9.860 {n tyr 5}18.634 -5.073 -10.102 {ca tyr 5}18.10 -4.743 -11.426 {c tyr 5}18.049 -3.253 -11.592 {o tyr 5}17.302 -2.562 -10.875 {c tyr 5}P 18.049 -3.253 -11.592 {n ile 6}18.784 -2.716 -12.557 {ca ile 6}18.796 -1.272 -12.811 {c ile 6}17.468 -0.86 -13.435 {o ile 6}16.841 -1.571 -14.183 {c ile 6}P 17.468 -0.86 -13.435 {n val 7}17.065 0.382 -13.103 {ca val 7}15.823 0.945 -13.644 {c val 7}16.008 2.384 -14.068 {o val 7}16.983 3.045 -13.682 {c val 7}P 16.008 2.384 -14.068 {n asp 8}15.099 2.885 -14.898 {ca asp 8}15.013 4.294 -15.298 {c asp 8}14.379 5.038 -14.101 {o asp 8}14.162 4.536 -13.000 {c asp 8}P 14.379 5.038 -14.101 {n asp 9}14.052 6.313 -14.360 {ca asp 9}13.497 7.193 -13.324 {c asp 9}12.086 6.855 -12.982 {o asp 9}11.586 7.556 -12.051 {c asp 9}P 12.086 6.855 -12.982 {n val 10}11.412 5.98 -13.676 {ca val 10}10.035 5.644 -13.343 {c val 10}9.883 4.144 -13.007 {o val 10}8.875 3.57 -13.133 {c val 10}P 9.883 4.144 -13.007 {n asn 11}11.015 3.517 -12.567 {ca asn 11}11.011 2.158 -12.071 {c asn 11}10.855 1.088 -13.121 {o asn 11}10.424 -0.005 -12.778 {c asn 11}P 10.855 1.088 -13.121 {n acys 12}11.174 1.274 -14.449 {c asn 11}P 10.855 1.088 -13.121 {n bcys 12}11.448 1.503 -14.238 {n acys 12}P 11.174 1.274 -14.449 {ca acys 12}11.14 0.298 -15.505 {n bcys 12}P 11.448 1.503 -14.238 {ca bcys 12}11.328 0.484 -15.312 {ca acys 12}P 11.14 0.298 -15.505 {c acys 12}12.564 -0.251 -15.771 {ca bcys 12}P 11.328 0.484 -15.312 {c bcys 12}12.68 -0.199 -15.556 {c acys 12}P 12.564 -0.251 -15.771 {o acys 12}13.553 0.462 -15.967 {c bcys 12}P 12.68 -0.199 -15.556 {o bcys 12}13.671 0.529 -15.509 {c acys 12}P 12.564 -0.251 -15.771 {n thr 13}12.64 -1.539 -15.759 {ca thr 13}13.883 -2.293 -16.015 {c thr 13}14.342 -2.174 -17.452 {o thr 13}13.61 -1.771 -18.363 {c bcys 12}P 12.68 -0.199 -15.556 {n thr 13}12.64 -1.539 -15.759 {c thr 13}P 14.342 -2.174 -17.452 {n tyr 14}15.616 -2.541 -17.674 {ca tyr 14}16.277 -2.496 -18.969 {c tyr 14}16.111 -3.831 -19.700 {o tyr 14}16.695 -4.851 -19.282 {c tyr 14}P 16.111 -3.831 -19.700 {n phe 15}15.336 -3.844 -20.764 {ca phe 15}15.198 -5.017 -21.624 {c phe 15}16.556 -5.378 -22.200 {o phe 15}17.347 -4.519 -22.518 {c phe 15}P 16.556 -5.378 -22.200 {n cys 16}16.786 -6.679 -22.382 {ca cys 16}18.035 -7.132 -22.951 {c cys 16}17.856 -8.504 -23.603 {o cys 16}16.946 -9.231 -23.303 {c cys 16}P 17.856 -8.504 -23.603 {n gly 17}18.838 -8.823 -24.467 {ca gly 17}19.009 -10.152 -25.023 {c gly 17}20.416 -10.693 -24.790 {o gly 17}20.564 -11.926 -24.650 {c gly 17}P 20.416 -10.693 -24.790 {n arg 18}21.393 -9.847 -24.668 {ca arg 18}22.788 -10.30 -24.551 {c arg 18}23.449 -9.862 -23.281 {o arg 18}23.258 -8.714 -22.822 {c arg 18}P 23.449 -9.862 -23.281 {n asn 19}24.314 -10.688 -22.724 {ca asn 19}25.009 -10.30 -21.511 {c asn 19}25.917 -9.127 -21.701 {o asn 19}26.017 -8.242 -20.821 {c asn 19}P 25.917 -9.127 -21.701 {n ala 20}26.601 -9.042 -22.848 {ca ala 20}27.541 -7.961 -23.074 {c ala 20}26.885 -6.593 -23.054 {o ala 20}27.479 -5.608 -22.627 {c ala 20}P 26.885 -6.593 -23.054 {n tyr 21}25.658 -6.534 -23.591 {ca tyr 21}24.894 -5.282 -23.576 {c tyr 21}24.686 -4.846 -22.150 {o tyr 21}24.903 -3.665 -21.785 {c tyr 21}P 24.686 -4.846 -22.150 {n cys 22}24.251 -5.749 -21.256 {ca cys 22}24.047 -5.365 -19.875 {c cys 22}25.347 -5.024 -19.176 {o cys 22}25.376 -4.122 -18.344 {c cys 22}P 25.347 -5.024 -19.176 {n asn 23}26.425 -5.741 -19.487 {ca asn 23}27.696 -5.388 -18.860 {c asn 23}28.021 -3.928 -19.162 {o asn 23}28.455 -3.201 -18.269 {c asn 23}P 28.021 -3.928 -19.162 {n glu 24}27.832 -3.516 -20.391 {ca glu 24}28.087 -2.127 -20.792 {c glu 24}27.161 -1.172 -20.062 {o glu 24}27.629 -0.155 -19.544 {c glu 24}P 27.161 -1.172 -20.062 {n glu 25}25.854 -1.441 -20.016 {ca glu 25}24.937 -0.539 -19.359 {c glu 25}25.266 -0.431 -17.881 {o glu 25}25.149 0.652 -17.255 {c glu 25}P 25.266 -0.431 -17.881 {n cys 26}25.637 -1.527 -17.228 {ca cys 26}25.984 -1.523 -15.832 {c cys 26}27.258 -0.712 -15.551 {o cys 26}27.338 0.002 -14.548 {c cys 26}P 27.258 -0.712 -15.551 {n thr 27}28.237 -0.822 -16.431 {ca thr 27}29.484 -0.077 -16.248 {c thr 27}29.281 1.426 -16.578 {o thr 27}29.977 2.268 -15.954 {c thr 27}P 29.281 1.426 -16.578 {n lys 28}28.356 1.773 -17.425 {ca lys 28}28.037 3.185 -17.712 {c lys 28}27.619 3.833 -16.398 {o lys 28}27.87 5.054 -16.159 {c lys 28}P 27.619 3.833 -16.398 {n leu 29}26.896 3.106 -15.524 {ca leu 29}26.402 3.542 -14.230 {c leu 29}27.406 3.35 -13.111 {o leu 29}27.073 3.584 -11.926 {c leu 29}P 27.406 3.35 -13.111 {n lys 30}28.638 2.978 -13.427 {ca lys 30}29.73 2.805 -12.488 {c lys 30}29.639 1.536 -11.642 {o lys 30}30.302 1.40 -10.638 {c lys 30}P 29.639 1.536 -11.642 {n gly 31}28.826 0.579 -12.089 {ca gly 31}28.851 -0.734 -11.462 {c gly 31}30.073 -1.504 -11.973 {o gly 31}30.785 -1.093 -12.889 {c gly 31}P 30.073 -1.504 -11.973 {n glu 32}30.31 -2.624 -11.345 {ca glu 32}31.424 -3.50 -11.676 {c glu 32}31.225 -4.24 -12.981 {o glu 32}32.09 -4.301 -13.852 {c glu 32}P 31.225 -4.24 -12.981 {n ser 33}30.036 -4.864 -13.142 {ca ser 33}29.746 -5.772 -14.239 {c ser 33}28.269 -6.092 -14.190 {o ser 33}27.561 -5.66 -13.261 {c ser 33}P 28.269 -6.092 -14.190 {n gly 34}27.782 -6.815 -15.173 {ca gly 34}26.409 -7.257 -15.124 {c gly 34}26.107 -8.206 -16.266 {o gly 34}26.987 -8.514 -17.099 {c gly 34}P 26.107 -8.206 -16.266 {n tyr 35}24.853 -8.672 -16.318 {ca tyr 35}24.468 -9.652 -17.321 {c tyr 35}22.977 -9.52 -17.571 {o tyr 35}22.274 -8.786 -16.864 {c tyr 35}P 22.977 -9.52 -17.571 {n cys 36}22.492 -10.184 -18.610 {ca cys 36}21.076 -10.178 -18.970 {c cys 36}20.395 -11.357 -18.306 {o cys 36}20.66 -12.516 -18.652 {c cys 36}P 20.395 -11.357 -18.306 {n gln 37}19.528 -11.07 -17.321 {ca gln 37}18.761 -12.119 -16.681 {c gln 37}17.54 -12.40 -17.570 {o gln 37}16.588 -11.613 -17.609 {c gln 37}P 17.54 -12.40 -17.570 {n trp 38}17.566 -13.53 -18.279 {ca trp 38}16.413 -13.919 -19.055 {c trp 38}15.363 -14.407 -18.064 {o trp 38}15.607 -15.048 -17.065 {c trp 38}P 15.363 -14.407 -18.064 {n ala 39}14.123 -14.084 -18.399 {ca ala 39}13.008 -14.601 -17.593 {c ala 39}13.034 -14.271 -16.118 {o ala 39}12.695 -15.026 -15.251 {c ala 39}P 13.034 -14.271 -16.118 {n ser 40}13.411 -13.021 -15.802 {ca ser 40}13.239 -12.471 -14.470 {c ser 40}11.72 -12.238 -14.322 {o ser 40}10.964 -12.329 -15.280 {c ser 40}P 11.72 -12.238 -14.322 {n pro 41}11.274 -11.868 -13.128 {ca pro 41}9.849 -11.542 -12.924 {c pro 41}9.396 -10.358 -13.768 {o pro 41}8.176 -10.15 -13.920 {c pro 41}P 9.396 -10.358 -13.768 {n tyr 42}10.318 -9.621 -14.354 {ca tyr 42}10.058 -8.438 -15.168 {c tyr 42}10.346 -8.705 -16.615 {o tyr 42}10.428 -7.775 -17.435 {c tyr 42}P 10.346 -8.705 -16.615 {n gly 43}10.487 -9.97 -16.996 {ca gly 43}10.897 -10.317 -18.366 {c gly 43}12.417 -10.269 -18.411 {o gly 43}13.089 -10.268 -17.351 {c gly 43}P 12.417 -10.269 -18.411 {n asn 44}12.991 -10.256 -19.570 {ca asn 44}14.453 -10.152 -19.646 {c asn 44}14.862 -8.784 -19.095 {o asn 44}14.303 -7.755 -19.506 {c asn 44}P 14.862 -8.784 -19.095 {n ala 45}15.836 -8.772 -18.195 {ca ala 45}16.244 -7.508 -17.568 {c ala 45}17.694 -7.558 -17.182 {o ala 45}18.20 -8.605 -16.694 {c ala 45}P 17.694 -7.558 -17.182 {n cys 46}18.403 -6.44 -17.318 {ca cys 46}19.786 -6.376 -16.895 {c cys 46}19.897 -6.354 -15.335 {o cys 46}19.177 -5.646 -14.630 {c cys 46}P 19.897 -6.354 -15.335 {n tyr 47}20.856 -7.147 -14.857 {ca tyr 47}21.191 -7.245 -13.428 {c tyr 47}22.656 -6.824 -13.300 {o tyr 47}23.501 -7.304 -14.066 {c tyr 47}P 22.656 -6.824 -13.300 {n cys 48}22.949 -5.937 -12.356 {ca cys 48}24.283 -5.405 -12.178 {c cys 48}24.833 -5.722 -10.796 {o cys 48}24.112 -5.793 -9.789 {c cys 48}P 24.833 -5.722 -10.796 {n tyr 49}26.16 -5.855 -10.717 {ca tyr 49}26.887 -6.044 -9.469 {c tyr 49}27.641 -4.763 -9.083 {o tyr 49}28.241 -4.128 -9.943 {c tyr 49}P 27.641 -4.763 -9.083 {n lys 50}27.625 -4.486 -7.811 {ca lys 50}28.442 -3.412 -7.229 {c lys 50}28.20 -2.041 -7.835 {o lys 50}29.118 -1.273 -8.102 {c lys 50}P 28.20 -2.041 -7.835 {n leu 51}26.92 -1.695 -7.956 {ca leu 51}26.553 -0.341 -8.289 {c leu 51}26.785 0.589 -7.112 {o leu 51}26.67 0.214 -5.963 {c leu 51}P 26.785 0.589 -7.112 {n pro 52}27.055 1.871 -7.386 {ca pro 52}27.079 2.838 -6.295 {c pro 52}25.698 2.876 -5.603 {o pro 52}24.635 2.689 -6.195 {c pro 52}P 25.698 2.876 -5.603 {n asp 53}25.722 3.262 -4.321 {ca asp 53}24.527 3.311 -3.511 {c asp 53}23.515 4.337 -3.987 {o asp 53}22.346 4.23 -3.645 {c asp 53}P 23.515 4.337 -3.987 {n his 54}23.953 5.335 -4.754 {ca his 54}23.022 6.346 -5.221 {c his 54}22.20 5.908 -6.417 {o his 54}21.18 6.57 -6.718 {c his 54}P 22.20 5.908 -6.417 {n val 55}22.533 4.80 -7.092 {ca val 55}21.793 4.351 -8.285 {c val 55}20.495 3.699 -7.894 {o val 55}20.488 2.876 -6.957 {c val 55}P 20.495 3.699 -7.894 {n arg 56}19.407 4.001 -8.569 {ca arg 56}18.136 3.37 -8.305 {c arg 56}18.088 1.961 -8.892 {o arg 56}18.405 1.753 -10.055 {c arg 56}P 18.088 1.961 -8.892 {n thr 57}17.642 1.02 -8.066 {ca thr 57}17.354 -0.332 -8.523 {c thr 57}15.847 -0.59 -8.310 {o thr 57}15.151 0.159 -7.626 {c thr 57}P 15.847 -0.59 -8.310 {n lys 58}15.372 -1.686 -8.891 {ca lys 58}13.95 -1.95 -8.898 {c lys 58}13.326 -2.028 -7.534 {o lys 58}13.804 -2.691 -6.607 {c lys 58}P 13.326 -2.028 -7.534 {n gly 59}12.193 -1.347 -7.387 {ca gly 59}11.353 -1.397 -6.188 {c gly 59}9.961 -1.816 -6.568 {o gly 59}9.674 -2.118 -7.736 {c gly 59}P 9.961 -1.816 -6.568 {n pro 60}9.056 -1.827 -5.599 {ca pro 60}7.692 -2.242 -5.858 {c pro 60}6.992 -1.321 -6.828 {o pro 60}7.249 -0.132 -6.907 {c pro 60}P 6.992 -1.321 -6.828 {n gly 61}6.07 -1.916 -7.593 {ca gly 61}5.275 -1.218 -8.589 {c gly 61}5.646 -1.787 -9.939 {o gly 61}6.833 -1.916 -10.302 {c gly 61}P 5.646 -1.787 -9.939 {n arg 62}4.642 -2.05 -10.764 {ca arg 62}4.851 -2.624 -12.075 {c arg 62}5.117 -1.542 -13.114 {o arg 62}4.451 -0.53 -13.184 {c arg 62}P 5.117 -1.542 -13.114 {n acys 63}6.08 -1.817 -13.993 {c arg 62}P 5.117 -1.542 -13.114 {n bcys 63}6.154 -1.803 -13.893 {n acys 63}P 6.08 -1.817 -13.993 {ca acys 63}6.424 -0.904 -15.098 {n bcys 63}P 6.154 -1.803 -13.893 {ca bcys 63}6.447 -1.194 -15.168 {ca acys 63}P 6.424 -0.904 -15.098 {c acys 63}6.92 -1.87 -16.147 {ca bcys 63}P 6.447 -1.194 -15.168 {c bcys 63}6.79 -2.287 -16.181 {c acys 63}P 6.92 -1.87 -16.147 {o acys 63}7.848 -2.665 -15.849 {c bcys 63}P 6.79 -2.287 -16.181 {o bcys 63}7.586 -3.212 -15.989 {c acys 63}P 6.92 -1.87 -16.147 {n his 64}6.284 -1.98 -17.356 {ca his 64}6.616 -2.912 -18.421 {c his 64}6.713 -2.182 -19.747 {o his 64}7.90 -1.876 -20.170 {c his 64}P 6.713 -2.182 -19.747 {oxt his 64}5.648 -1.884 -20.339 {c bcys 63}P 6.79 -2.287 -16.181 {n his 64}6.284 -1.98 -17.356 @vectorlist {sc} color= sea master= {side ch} {ca lys 2}P 24.758 -2.822 -3.985 {cb lys 2}23.489 -2.074 -3.665 {cg lys 2}23.07 -1.073 -4.684 {cd lys 2}21.647 -0.595 -4.381 {ce lys 2}21.37 0.556 -5.310 {nz lys 2}19.936 0.908 -5.171 {ca val 10}P 10.035 5.644 -13.343 {cb val 10}9.019 6.097 -14.425 {cg1 val 10}8.967 7.617 -14.565 {cb val 10}P 9.019 6.097 -14.425 {cg2 val 10}9.283 5.443 -15.768 {ca asn 11}P 11.011 2.158 -12.071 {cb asn 11}9.965 2.002 -10.938 {cg asn 11}10.227 0.798 -10.026 {od1 asn 11}11.359 0.56 -9.584 {cg asn 11}P 10.227 0.798 -10.026 {nd2 asn 11}9.171 0.071 -9.704 {ca asp 53}P 24.527 3.311 -3.511 {cb asp 53}24.913 3.609 -2.052 {cg asp 53}25.671 2.538 -1.351 {od1 asp 53}25.573 1.348 -1.698 {cg asp 53}P 25.671 2.538 -1.351 {od2 asp 53}26.343 2.87 -0.314 {ca arg 56}P 18.136 3.37 -8.305 {cb arg 56}16.994 4.194 -8.915 {cg arg 56}15.615 3.772 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-23.272 {n gly 61}-16.881 -18.434 -22.507 {ca gly 61}-17.676 -19.132 -21.511 {c gly 61}-17.305 -18.563 -20.161 {o gly 61}-16.118 -18.434 -19.798 {c gly 61}P -17.305 -18.563 -20.161 {n arg 62}-18.309 -18.30 -19.336 {ca arg 62}-18.10 -17.726 -18.025 {c arg 62}-17.834 -18.808 -16.986 {o arg 62}-18.50 -19.82 -16.916 {c arg 62}P -17.834 -18.808 -16.986 {n acys 63}-16.871 -18.533 -16.107 {c arg 62}P -17.834 -18.808 -16.986 {n bcys 63}-16.797 -18.547 -16.207 {n acys 63}P -16.871 -18.533 -16.107 {ca acys 63}-16.527 -19.446 -15.002 {n bcys 63}P -16.797 -18.547 -16.207 {ca bcys 63}-16.504 -19.156 -14.932 {ca acys 63}P -16.527 -19.446 -15.002 {c acys 63}-16.031 -18.48 -13.953 {ca bcys 63}P -16.504 -19.156 -14.932 {c bcys 63}-16.161 -18.063 -13.919 {c acys 63}P -16.031 -18.48 -13.953 {o acys 63}-15.103 -17.685 -14.251 {c bcys 63}P -16.161 -18.063 -13.919 {o bcys 63}-15.365 -17.138 -14.111 {c acys 63}P -16.031 -18.48 -13.953 {n his 64}-16.667 -18.37 -12.744 {ca his 64}-16.335 -17.438 -11.679 {c his 64}-16.238 -18.168 -10.353 {o his 64}-15.051 -18.474 -9.930 {c his 64}P -16.238 -18.168 -10.353 {oxt his 64}-17.303 -18.466 -9.761 {c bcys 63}P -16.161 -18.063 -13.919 {n his 64}-16.667 -18.37 -12.744 @vectorlist {sc} color= sky master= {side ch} {ca arg 18}P -0.163 -10.05 -5.549 {cb arg 18}0.666 -10.632 -4.407 {cg arg 18}0.267 -10.192 -3.017 {cd arg 18}1.116 -10.876 -1.949 {ne arg 18}1.042 -12.326 -1.962 {cz arg 18}-0.049 -13.07 -1.837 {nh1 arg 18}-1.237 -12.503 -1.643 {cz arg 18}P -0.049 -13.07 -1.837 {nh2 arg 18}0.022 -14.39 -1.934 {ca asn 19}P 2.058 -10.05 -8.589 {cb asn 19}2.87 -8.854 -9.105 {cg asn 19}1.986 -7.773 -9.658 {od1 asn 19}0.84 -8.00 -10.053 {cg asn 19}P 1.986 -7.773 -9.658 {nd2 asn 19}2.493 -6.543 -9.706 {ca trp 38}P -6.538 -6.431 -11.045 {cb trp 38}-6.185 -5.287 -10.070 {cg trp 38}-5.545 -5.806 -8.836 {cd1 trp 38}-4.339 -6.449 -8.703 {ne1 trp 38}-4.122 -6.81 -7.409 {ce2 trp 38}-5.20 -6.449 -6.647 {ne1 trp 38}-4.122 -6.81 -7.409 {cg trp 38}P -5.545 -5.806 -8.836 {cd2 trp 38}-6.094 -5.799 -7.500 {ce2 trp 38}-5.20 -6.449 -6.647 {cz2 trp 38}-5.417 -6.603 -5.274 {ch2 trp 38}-6.583 -6.113 -4.778 {cd2 trp 38}P -6.094 -5.799 -7.500 {ce3 trp 38}-7.30 -5.319 -6.960 {cz3 trp 38}-7.513 -5.484 -5.607 {ch2 trp 38}-6.583 -6.113 -4.778 @vectorlist {SS} color= yellow {ca acys 12}P -11.811 -20.648 -14.595 {cb acys 12}-12.294 -21.112 -13.222 {sg acys 12}-13.992 -20.73 -12.786 {sg acys 63}-15.153 -21.697 -14.118 {cb acys 63}-15.514 -20.512 -15.430 {ca acys 63}-16.527 -19.446 -15.002 {ca cys 16}P -4.916 -13.218 -7.149 {cb cys 16}-3.857 -13.115 -8.256 {sg cys 16}-4.339 -12.006 -9.649 {sg cys 36}-3.743 -10.15 -9.069 {cb cys 36}-2.038 -10.082 -9.615 {ca cys 36}-1.875 -10.172 -11.130 {ca cys 22}P 1.096 -14.985 -10.225 {cb cys 22}0.39 -13.849 -10.951 {sg cys 22}-1.328 -13.622 -10.468 {sg cys 46}-2.25 -15.369 -10.921 {cb cys 46}-2.493 -15.243 -12.738 {ca cys 46}-3.165 -13.974 -13.205 {ca cys 26}P 3.033 -18.827 -14.268 {cb cys 26}3.25 -17.40 -14.761 {sg cys 26}1.746 -16.381 -14.774 {sg cys 48}0.637 -17.145 -16.272 {cb cys 48}1.353 -16.467 -17.785 {ca cys 48}1.332 -14.945 -17.922 @balllist {water} color= blue master= {water} radius= 0.100 {o hoh 21}-1.104 -6.097 -6.368 {o hoh 22}-1.017 -6.326 -8.205 {o hoh 23}-1.178 -5.84 -9.770 {o hoh 24}0.797 -4.14 -9.957 {o hoh 25}-0.90 -5.348 -11.474 {o hoh 113}4.019 -9.056 -5.494 {o hoh 133}1.338 -6.934 -6.310 {o hoh 164}-2.374 -7.189 -2.479 {o hoh 184}-1.913 -8.861 -0.352 @kinemage 2 @caption Concanavalin A at 1.2A resolution - Calphas and side chains, colored by B-factors (blues and purples are well-ordered, yellow to pale yellow quite mobile). (from PDB file 1JBC) @onewidth @zoom 1.25 @zslab 160 @center 47.685 55.307 35.115 @matrix 0.892440 0.063296 -0.446704 -0.434391 0.388024 -0.812860 0.121881 0.919473 0.373784 @2viewid {Lo-B sheet} @2zoom 3.5 @2zslab 130 @2center 46.431 53.845 30.804 @2matrix 0.755065 0.273405 -0.595925 -0.629560 0.556180 -0.542511 0.183116 0.784802 0.592077 @3viewid {Hi-B loop} @3zoom 3.3 @3zslab 140 @3center 36.495 49.254 14.927 @3matrix -0.328347 -0.563848 -0.757802 -0.810766 0.579856 -0.080150 0.484609 0.588084 -0.647543 @4viewid {Ile alt conf} @4zoom 5.46 @4zslab 120 @4center 53.091 65.706 28.788 @4matrix 0.584866 0.766213 0.266176 0.528833 -0.111379 -0.841386 -0.615034 0.632859 -0.470341 @5viewid {Lys alt conf} @5zoom 3.9 @5zslab 100 @5center 59.613 52.425 53.807 @5matrix 0.314432 0.900738 -0.299672 0.829746 -0.414138 -0.374180 -0.461144 -0.130998 -0.877602 @group {1jbc} @subgroup {Calphas} dominant @balllist {mc C} color= sea radius= 0.12 {ca ala 1 B24.39} orange 32.746 63.458 40.564 {ca asp 2 B12.36} hotpink 35.75 61.159 41.003 {ca thr 3 B10.77} magenta 39.147 62.535 42.168 {ca ile 4 B9.46} magenta 41.831 62.103 39.540 {ca val 5 B8.00} magenta 45.59 62.461 39.466 {ca ala 6 B7.51} purple 47.128 61.48 36.130 {ca val 7 B6.79} purple 50.13 61.553 33.871 {ca glu 8 B7.12} purple 48.908 62.067 30.314 {ca leu 9 B6.58} purple 50.576 61.185 27.048 {ca asp 1 B7.25} purple 48.394 63.543 25.027 {ca thr 11 B7.32} purple 48.633 62.922 21.325 {ca tyr 12 B7.04} purple 46.255 65.65 20.039 {ca pro 13 B9.42} magenta 46.606 69.423 20.750 {ca asn 14 B9.21} magenta 43.358 70.893 21.978 {ca thr 15 B12.73} hotpink 44.418 74.526 22.257 {ca asp 16 B13.37} hotpink 41.145 75.803 23.901 {ca ile 17 B12.75} hotpink 41.721 73.657 26.954 {ca gly 18 B12.38} hotpink 45.295 74.76 27.360 {ca asp 19 B9.04} magenta 47.15 72.044 25.469 {ca pro 2 B10.53} magenta 50.289 73.289 23.798 {ca ser 21 B14.71} hotpink 50.397 73.144 20.013 {ca tyr 22 B11.86} hotpink 52.071 69.705 19.858 {ca pro 23 B8.13} magenta 51.862 66.253 21.398 {ca his 24 B7.30} purple 52.913 66.515 25.015 {ca ile 25 B8.75} magenta 53.326 64.818 28.394 {ca gly 26 B7.67} purple 51.433 66.431 31.227 {ca ile 27 B7.67} purple 50.624 66.247 34.923 {ca asp 28 B8.07} magenta 46.852 66.486 35.613 {ca ile 29 B8.48} magenta 45.695 67.264 39.176 {ca lys 3 B10.58} magenta 41.876 67.196 39.279 {ca ser 31 B10.15} magenta 41.60 68.744 35.800 {ca val 32 B9.38} magenta 42.29 67.889 32.195 {ca arg 33 B10.80} magenta 44.073 71.311 32.004 {ca ser 34 B10.61} magenta 47.479 70.064 32.937 {ca lys 35 B9.23} magenta 49.384 71.819 35.720 {ca lys 36 B11.05} hotpink 52.677 71.225 33.820 {ca thr 37 B10.11} magenta 53.482 69.956 30.317 {ca ala 38 B9.52} magenta 56.487 69.165 28.190 {ca lys 39 B8.99} magenta 56.888 68.624 24.470 {ca trp 4 B9.28} magenta 56.654 64.956 23.458 {ca asn 41 B10.09} magenta 57.987 63.84 20.075 {ca met 42 B11.29} hotpink 55.494 61.071 19.707 {ca gln 43 B12.15} hotpink 56.287 58.356 17.132 {ca asn 44 B11.49} hotpink 53.35 56.729 15.399 {ca gly 45 B12.23} hotpink 53.69 52.976 15.383 {ca lys 46 B11.86} hotpink 56.755 52.643 17.669 {ca val 47 B10.29} magenta 56.722 51.097 21.172 {ca gly 48 B10.29} magenta 57.384 53.64 23.905 {ca thr 49 B7.51} purple 57.852 53.471 27.652 {ca ala 5 B6.48} purple 56.662 55.798 30.356 {ca his 51 B7.66} purple 57.891 55.969 33.958 {ca ile 52 B8.10} magenta 56.062 57.732 36.818 {ca ile 53 B7.52} purple 57.557 58.333 40.285 {ca tyr 54 B7.25} purple 56.53 59.987 43.515 {ca asn 55 B7.55} purple 57.346 60.001 47.235 {ca ser 56 B8.23} magenta 55.762 61.709 50.209 {ca val 57 B8.97} magenta 58.998 63.257 51.489 {ca asp 58 B10.23} magenta 59.703 65.283 48.365 {ca lys 59 B9.72} magenta 56.034 65.701 47.202 {ca arg 6 B9.86} magenta 56.975 65.872 43.506 {ca leu 61 B8.03} magenta 55.168 63.883 40.843 {ca ser 62 B8.11} magenta 57.563 63.217 37.959 {ca ala 63 B7.23} purple 57.331 61.336 34.679 {ca val 64 B7.56} purple 59.726 60.373 31.832 {ca val 65 B8.31} magenta 58.796 58.969 28.393 {ca ser 66 B8.53} magenta 61.107 57.633 25.705 {ca tyr 67 B8.95} magenta 61.48 55.481 22.630 {ca pro 68 B10.87} magenta 64.489 53.357 21.641 {ca asn 69 B11.59} hotpink 67.06 55.436 19.684 {ca ala 7 B9.02} magenta 65.394 58.674 20.830 {ca asp 71 B7.31} purple 65.846 61.272 23.549 {ca ser 72 B8.78} magenta 63.366 61.359 26.437 {ca ala 73 B8.78} magenta 60.768 63.882 27.522 {ca thr 74 B7.25} purple 60.128 64.628 31.216 {ca val 75 B7.88} purple 57.743 66.625 33.347 {ca ser 76 B10.53} magenta 57.519 67.296 37.084 {ca tyr 77 B9.16} magenta 55.043 69.075 39.366 {ca asp 78 B9.54} magenta 55.247 69.835 43.097 {ca val 79 B9.78} magenta 52.137 68.447 44.708 {ca asp 8 B9.24} magenta 51.351 66.845 48.047 {ca leu 81 B10.86} magenta 49.198 63.959 46.924 {ca asp 82 B11.13} hotpink 47.994 63.38 50.458 {ca asn 83 B10.52} magenta 46.108 66.647 50.082 {ca val 84 B10.01} magenta 44.573 65.598 46.734 {ca leu 85 B9.59} magenta 43.834 61.891 46.948 {ca pro 86 B10.54} magenta 42.138 59.718 49.612 {ca glu 87 B10.73} magenta 44.106 57.31 51.776 {ca trp 88 B8.01} magenta 43.076 54.318 49.663 {ca val 89 B7.86} purple 43.03 54.581 45.859 {ca arg 9 B8.75} magenta 42.989 52.457 42.766 {ca val 91 B7.18} purple 45.559 52.824 40.015 {ca gly 92 B6.65} purple 44.877 52.432 36.320 {ca leu 93 B6.86} purple 45.497 53.163 32.681 {ca ser 94 B7.06} purple 42.985 55.099 30.528 {ca ala 95 B7.25} purple 42.786 56.105 26.886 {ca ser 96 B7.27} purple 40.368 57.601 24.369 {ca thr 97 B7.42} purple 39.682 58.443 20.772 {ca gly 98 B10.81} magenta 37.278 60.945 19.292 {ca leu 99 B11.79} hotpink 36.689 62.01 15.716 {ca tyr 10 B8.28} magenta 40.479 61.493 15.398 {ca lys 101 B8.46} magenta 41.807 58.083 16.424 {ca glu 102 B7.60} purple 44.693 55.735 17.265 {ca thr 103 B8.99} magenta 45.30 52.364 18.832 {ca asn 104 B8.36} magenta 46.006 52.624 22.563 {ca thr 105 B7.30} purple 47.761 49.337 23.079 {ca ile 106 B7.53} purple 49.502 48.473 26.356 {ca leu 107 B8.35} magenta 52.21 45.843 26.114 {ca ser 108 B9.22} magenta 53.308 45.893 29.805 {ca trp 109 B6.97} purple 52.446 47.641 33.077 {ca ser 11 B8.50} magenta 54.183 47.517 36.430 {ca phe 111 B8.15} magenta 53.587 49.307 39.723 {ca thr 112 B9.18} magenta 55.147 49.375 43.163 {ca ser 113 B9.50} magenta 53.854 51.199 46.234 {ca lys 114 B11.23} hotpink 55.652 51.222 49.566 {ca leu 115 B10.23} magenta 54.831 52.504 53.015 {ca lys 116 B12.04} hotpink 57.70 52.495 55.545 {ca ser 117 B12.93} hotpink 56.518 52.959 59.160 {ca asn 118 B11.83} hotpink 58.545 53.866 62.285 {ca ser 119 B18.87} red 58.13 50.391 63.665 {ca thr 12 B35.75} gold 60.945 47.901 63.948 {ca his 121 B35.34} gold 59.384 45.90 61.122 {ca glu 122 B28.01} orange 58.839 48.878 58.865 {ca thr 123 B24.59} orange 58.00 47.91 55.369 {ca asn 124 B16.05} red 54.721 47.438 53.611 {ca ala 125 B9.58} magenta 54.44 47.017 49.858 {ca leu 126 B8.33} magenta 52.328 46.182 46.857 {ca his 127 B8.09} magenta 53.856 45.285 43.511 {ca phe 128 B6.62} purple 52.464 43.987 40.273 {ca met 129 B8.31} magenta 53.945 43.411 36.852 {ca phe 13 B8.64} magenta 52.118 42.497 33.664 {ca asn 131 B11.29} hotpink 54.116 41.572 30.560 {ca gln 132 B16.84} red 51.138 39.92 28.942 {ca phe 133 B12.98} hotpink 47.354 40.04 29.332 {ca ser 134 B18.55} red 45.027 37.064 29.041 {ca lys 135 B18.74} red 41.422 37.098 27.672 {ca asp 136 B18.67} red 40.209 36.723 31.230 {ca gln 137 B10.35} magenta 42.542 38.896 33.275 {ca lys 138 B9.54} magenta 40.862 38.631 36.655 {ca asp 139 B9.34} magenta 43.17 41.038 38.493 {ca leu 14 B8.02} magenta 42.147 43.913 36.217 {ca ile 141 B9.16} magenta 38.898 45.823 36.302 {ca leu 142 B10.15} magenta 38.097 46.691 32.658 {ca gln 143 B9.27} magenta 35.90 49.66 31.929 {ca gly 144 B10.80} magenta 34.29 50.939 28.716 {ca asp 145 B10.20} magenta 35.817 49.519 25.552 {ca ala 146 B9.33} magenta 38.971 48.062 27.149 {ca thr 147 B9.66} magenta 39.781 44.437 26.329 {ca thr 148 B11.12} hotpink 42.539 42.008 27.155 {ca gly 149 B16.27} red 44.067 39.032 25.286 {ca thr 15 B20.11} red 44.265 40.137 21.654 {ca asp 151 B20.95} red 47.871 39.299 20.822 {ca gly 152 B16.49} red 48.323 39.074 24.592 {ca asn 153 B10.51} magenta 47.949 42.866 25.002 {ca leu 154 B7.85} purple 45.644 45.325 26.745 {ca glu 155 B9.05} magenta 43.728 47.306 24.118 {ca leu 156 B8.22} magenta 42.335 50.295 26.000 {ca thr 157 B8.45} magenta 40.243 51.546 23.078 {ca arg 158 B10.90} magenta 38.328 49.667 20.362 {ca val 159 B12.28} hotpink 40.147 48.186 17.456 {ca ser 16 B21.28} red 38.318 46.53 14.680 {ca ser 161 B35.20} gold 38.872 43.001 13.418 {ca asn 162 B42.44} gold 40.983 44.519 10.676 {ca gly 163 B29.13} orange 43.272 45.871 13.374 {ca ser 164 B20.38} red 42.108 49.473 12.587 {ca pro 165 B11.92} hotpink 41.50 51.799 15.508 {ca gln 166 B12.53} hotpink 37.984 53.141 15.981 {ca gly 167 B11.02} hotpink 36.896 56.638 16.835 {ca ser 168 B11.31} hotpink 34.632 57.653 19.636 {ca ser 169 B9.81} magenta 36.065 55.083 22.064 {ca val 17 B9.48} magenta 37.031 55.193 25.741 {ca gly 171 B9.63} magenta 38.398 52.393 27.954 {ca arg 172 B6.84} purple 40.304 51.902 31.217 {ca ala 173 B7.34} purple 41.949 49.169 33.232 {ca leu 174 B8.02} magenta 42.325 49.391 37.006 {ca phe 175 B7.69} purple 44.301 47.004 39.208 {ca tyr 176 B9.44} magenta 41.818 44.994 41.290 {ca ala 177 B10.33} magenta 43.237 45.623 44.727 {ca pro 178 B10.17} magenta 42.949 48.99 46.392 {ca val 179 B9.66} magenta 46.288 50.63 47.186 {ca his 18 B8.94} magenta 47.182 52.293 50.470 {ca ile 181 B11.00} hotpink 49.05 55.517 49.727 {ca trp 182 B12.11} hotpink 48.931 57.205 53.111 {ca glu 183 B10.77} magenta 48.983 55.721 56.602 {ca ser 184 B11.03} hotpink 49.248 57.503 59.933 {ca ser 185 B10.96} magenta 52.453 55.737 60.934 {ca ala 186 B10.60} magenta 54.23 56.021 57.572 {ca val 187 B10.08} magenta 57.478 57.936 57.599 {ca val 188 B12.03} hotpink 57.967 57.559 53.836 {ca ala 189 B9.92} magenta 55.387 56.568 51.202 {ca ser 19 B9.00} magenta 56.366 56.094 47.570 {ca phe 191 B10.85} magenta 55.189 54.732 44.276 {ca glu 192 B12.04} hotpink 56.562 53.98 40.859 {ca ala 193 B8.42} magenta 54.819 52.906 37.688 {ca thr 194 B8.20} magenta 56.034 51.926 34.265 {ca phe 195 B7.80} purple 54.073 51.061 31.149 {ca thr 196 B7.74} purple 54.945 50.328 27.536 {ca phe 197 B7.13} purple 52.555 51.345 24.836 {ca leu 198 B8.78} magenta 52.068 51.213 21.081 {ca ile 199 B9.70} magenta 50.102 54.091 19.614 {ca lys 20 B11.65} hotpink 49.477 53.534 15.913 {ca ser 201 B10.38} magenta 47.163 55.435 13.556 {ca pro 202 B12.61} hotpink 46.625 55.417 9.799 {ca asp 203 B12.49} hotpink 46.272 59.246 10.113 {ca ser 204 B11.81} hotpink 48.655 62.176 10.272 {ca his 205 B8.72} magenta 46.744 63.377 13.284 {ca pro 206 B8.92} magenta 46.295 60.621 15.915 {ca ala 207 B7.69} purple 44.17 61.258 18.966 {ca asp 208 B6.55} purple 43.577 61.359 21.911 {ca gly 209 B6.94} purple 46.137 59.751 24.244 {ca ile 21 B7.35} purple 46.893 57.416 27.140 {ca ala 211 B6.48} purple 47.138 58.239 30.847 {ca phe 212 B6.67} purple 48.278 56.538 33.991 {ca phe 213 B7.48} purple 45.997 57.593 36.776 {ca ile 214 B7.46} purple 45.276 57.291 40.477 {ca ser 215 B9.20} magenta 41.696 57.725 41.701 {ca asn 216 B9.34} magenta 39.131 57.042 44.389 {ca ile 217 B9.42} magenta 38.642 53.263 44.597 {ca asp 218 B11.14} hotpink 35.162 53.40 43.039 {ca ser 219 B10.40} magenta 36.217 55.496 40.020 {ca ser 22 B10.58} magenta 34.372 54.95 36.786 {ca ile 221 B9.93} magenta 34.474 56.419 33.284 {ca pro 222 B10.99} magenta 32.709 59.761 33.337 {ca ser 223 B13.95} hotpink 29.795 60.302 30.909 {ca gly 224 B12.27} hotpink 30.971 61.953 27.704 {ca ser 225 B10.05} magenta 34.767 61.516 28.351 {ca thr 226 B9.03} magenta 35.681 60.271 24.918 {ca gly 227 B6.99} purple 38.179 62.328 22.953 {ca arg 228 B7.32} purple 39.995 65.181 24.678 {ca leu 229 B8.18} magenta 38.854 64.142 28.169 {ca leu 23 B7.25} purple 40.924 60.909 28.086 {ca gly 231 B8.40} magenta 38.309 58.809 29.917 {ca leu 232 B9.68} magenta 39.312 60.749 33.050 {ca phe 233 B9.11} magenta 37.195 63.92 33.450 {ca pro 234 B12.21} hotpink 33.541 64.851 33.015 {ca asp 235 B12.13} hotpink 34.326 68.209 31.548 {ca ala 236 B14.38} hotpink 37.253 70.441 30.585 {ca asn 237 B18.46} red 37.166 72.544 33.679 @vectorlist {Calphas} color= white {ca ala 1 B24.39}P 32.746 63.458 40.564 {ca asp 2 B12.36} hotpink 35.75 61.159 41.003 {ca thr 3 B10.77} magenta 39.147 62.535 42.168 {ca ile 4 B9.46} magenta 41.831 62.103 39.540 {ca val 5 B8.00} magenta 45.59 62.461 39.466 {ca ala 6 B7.51} purple 47.128 61.48 36.130 {ca val 7 B6.79} purple 50.13 61.553 33.871 {ca glu 8 B7.12} purple 48.908 62.067 30.314 {ca leu 9 B6.58} purple 50.576 61.185 27.048 {ca asp 1 B7.25} purple 48.394 63.543 25.027 {ca thr 11 B7.32} purple 48.633 62.922 21.325 {ca tyr 12 B7.04} purple 46.255 65.65 20.039 {ca pro 13 B9.42} magenta 46.606 69.423 20.750 {ca asn 14 B9.21} magenta 43.358 70.893 21.978 {ca thr 15 B12.73} hotpink 44.418 74.526 22.257 {ca asp 16 B13.37} hotpink 41.145 75.803 23.901 {ca ile 17 B12.75} hotpink 41.721 73.657 26.954 {ca gly 18 B12.38} hotpink 45.295 74.76 27.360 {ca asp 19 B9.04} magenta 47.15 72.044 25.469 {ca pro 2 B10.53} magenta 50.289 73.289 23.798 {ca ser 21 B14.71} hotpink 50.397 73.144 20.013 {ca tyr 22 B11.86} hotpink 52.071 69.705 19.858 {ca pro 23 B8.13} magenta 51.862 66.253 21.398 {ca his 24 B7.30} purple 52.913 66.515 25.015 {ca ile 25 B8.75} magenta 53.326 64.818 28.394 {ca gly 26 B7.67} purple 51.433 66.431 31.227 {ca ile 27 B7.67} purple 50.624 66.247 34.923 {ca asp 28 B8.07} magenta 46.852 66.486 35.613 {ca ile 29 B8.48} magenta 45.695 67.264 39.176 {ca lys 3 B10.58} magenta 41.876 67.196 39.279 {ca ser 31 B10.15} magenta 41.60 68.744 35.800 {ca val 32 B9.38} magenta 42.29 67.889 32.195 {ca arg 33 B10.80} magenta 44.073 71.311 32.004 {ca ser 34 B10.61} magenta 47.479 70.064 32.937 {ca lys 35 B9.23} magenta 49.384 71.819 35.720 {ca lys 36 B11.05} hotpink 52.677 71.225 33.820 {ca thr 37 B10.11} magenta 53.482 69.956 30.317 {ca ala 38 B9.52} magenta 56.487 69.165 28.190 {ca lys 39 B8.99} magenta 56.888 68.624 24.470 {ca trp 4 B9.28} magenta 56.654 64.956 23.458 {ca asn 41 B10.09} magenta 57.987 63.84 20.075 {ca met 42 B11.29} hotpink 55.494 61.071 19.707 {ca gln 43 B12.15} hotpink 56.287 58.356 17.132 {ca asn 44 B11.49} hotpink 53.35 56.729 15.399 {ca gly 45 B12.23} hotpink 53.69 52.976 15.383 {ca lys 46 B11.86} hotpink 56.755 52.643 17.669 {ca val 47 B10.29} magenta 56.722 51.097 21.172 {ca gly 48 B10.29} magenta 57.384 53.64 23.905 {ca thr 49 B7.51} purple 57.852 53.471 27.652 {ca ala 5 B6.48} purple 56.662 55.798 30.356 {ca his 51 B7.66} purple 57.891 55.969 33.958 {ca ile 52 B8.10} magenta 56.062 57.732 36.818 {ca ile 53 B7.52} purple 57.557 58.333 40.285 {ca tyr 54 B7.25} purple 56.53 59.987 43.515 {ca asn 55 B7.55} purple 57.346 60.001 47.235 {ca ser 56 B8.23} magenta 55.762 61.709 50.209 {ca val 57 B8.97} magenta 58.998 63.257 51.489 {ca asp 58 B10.23} magenta 59.703 65.283 48.365 {ca lys 59 B9.72} magenta 56.034 65.701 47.202 {ca arg 6 B9.86} magenta 56.975 65.872 43.506 {ca leu 61 B8.03} magenta 55.168 63.883 40.843 {ca ser 62 B8.11} magenta 57.563 63.217 37.959 {ca ala 63 B7.23} purple 57.331 61.336 34.679 {ca val 64 B7.56} purple 59.726 60.373 31.832 {ca val 65 B8.31} magenta 58.796 58.969 28.393 {ca ser 66 B8.53} magenta 61.107 57.633 25.705 {ca tyr 67 B8.95} magenta 61.48 55.481 22.630 {ca pro 68 B10.87} magenta 64.489 53.357 21.641 {ca asn 69 B11.59} hotpink 67.06 55.436 19.684 {ca ala 7 B9.02} magenta 65.394 58.674 20.830 {ca asp 71 B7.31} purple 65.846 61.272 23.549 {ca ser 72 B8.78} magenta 63.366 61.359 26.437 {ca ala 73 B8.78} magenta 60.768 63.882 27.522 {ca thr 74 B7.25} purple 60.128 64.628 31.216 {ca val 75 B7.88} purple 57.743 66.625 33.347 {ca ser 76 B10.53} magenta 57.519 67.296 37.084 {ca tyr 77 B9.16} magenta 55.043 69.075 39.366 {ca asp 78 B9.54} magenta 55.247 69.835 43.097 {ca val 79 B9.78} magenta 52.137 68.447 44.708 {ca asp 8 B9.24} magenta 51.351 66.845 48.047 {ca leu 81 B10.86} magenta 49.198 63.959 46.924 {ca asp 82 B11.13} hotpink 47.994 63.38 50.458 {ca asn 83 B10.52} magenta 46.108 66.647 50.082 {ca val 84 B10.01} magenta 44.573 65.598 46.734 {ca leu 85 B9.59} magenta 43.834 61.891 46.948 {ca pro 86 B10.54} magenta 42.138 59.718 49.612 {ca glu 87 B10.73} magenta 44.106 57.31 51.776 {ca trp 88 B8.01} magenta 43.076 54.318 49.663 {ca val 89 B7.86} purple 43.03 54.581 45.859 {ca arg 9 B8.75} magenta 42.989 52.457 42.766 {ca val 91 B7.18} purple 45.559 52.824 40.015 {ca gly 92 B6.65} purple 44.877 52.432 36.320 {ca leu 93 B6.86} purple 45.497 53.163 32.681 {ca ser 94 B7.06} purple 42.985 55.099 30.528 {ca ala 95 B7.25} purple 42.786 56.105 26.886 {ca ser 96 B7.27} purple 40.368 57.601 24.369 {ca thr 97 B7.42} purple 39.682 58.443 20.772 {ca gly 98 B10.81} magenta 37.278 60.945 19.292 {ca leu 99 B11.79} hotpink 36.689 62.01 15.716 {ca tyr 10 B8.28} magenta 40.479 61.493 15.398 {ca lys 101 B8.46} magenta 41.807 58.083 16.424 {ca glu 102 B7.60} purple 44.693 55.735 17.265 {ca thr 103 B8.99} magenta 45.30 52.364 18.832 {ca asn 104 B8.36} magenta 46.006 52.624 22.563 {ca thr 105 B7.30} purple 47.761 49.337 23.079 {ca ile 106 B7.53} purple 49.502 48.473 26.356 {ca leu 107 B8.35} magenta 52.21 45.843 26.114 {ca ser 108 B9.22} magenta 53.308 45.893 29.805 {ca trp 109 B6.97} purple 52.446 47.641 33.077 {ca ser 11 B8.50} magenta 54.183 47.517 36.430 {ca phe 111 B8.15} magenta 53.587 49.307 39.723 {ca thr 112 B9.18} magenta 55.147 49.375 43.163 {ca ser 113 B9.50} magenta 53.854 51.199 46.234 {ca lys 114 B11.23} hotpink 55.652 51.222 49.566 {ca leu 115 B10.23} magenta 54.831 52.504 53.015 {ca lys 116 B12.04} hotpink 57.70 52.495 55.545 {ca ser 117 B12.93} hotpink 56.518 52.959 59.160 {ca asn 118 B11.83} hotpink 58.545 53.866 62.285 {ca ser 119 B18.87} red 58.13 50.391 63.665 {ca thr 12 B35.75} gold 60.945 47.901 63.948 {ca his 121 B35.34} gold 59.384 45.90 61.122 {ca glu 122 B28.01} orange 58.839 48.878 58.865 {ca thr 123 B24.59} orange 58.00 47.91 55.369 {ca asn 124 B16.05} red 54.721 47.438 53.611 {ca ala 125 B9.58} magenta 54.44 47.017 49.858 {ca leu 126 B8.33} magenta 52.328 46.182 46.857 {ca his 127 B8.09} magenta 53.856 45.285 43.511 {ca phe 128 B6.62} purple 52.464 43.987 40.273 {ca met 129 B8.31} magenta 53.945 43.411 36.852 {ca phe 13 B8.64} magenta 52.118 42.497 33.664 {ca asn 131 B11.29} hotpink 54.116 41.572 30.560 {ca gln 132 B16.84} red 51.138 39.92 28.942 {ca phe 133 B12.98} hotpink 47.354 40.04 29.332 {ca ser 134 B18.55} red 45.027 37.064 29.041 {ca lys 135 B18.74} red 41.422 37.098 27.672 {ca asp 136 B18.67} red 40.209 36.723 31.230 {ca gln 137 B10.35} magenta 42.542 38.896 33.275 {ca lys 138 B9.54} magenta 40.862 38.631 36.655 {ca asp 139 B9.34} magenta 43.17 41.038 38.493 {ca leu 14 B8.02} magenta 42.147 43.913 36.217 {ca ile 141 B9.16} magenta 38.898 45.823 36.302 {ca leu 142 B10.15} magenta 38.097 46.691 32.658 {ca gln 143 B9.27} magenta 35.90 49.66 31.929 {ca gly 144 B10.80} magenta 34.29 50.939 28.716 {ca asp 145 B10.20} magenta 35.817 49.519 25.552 {ca ala 146 B9.33} magenta 38.971 48.062 27.149 {ca thr 147 B9.66} magenta 39.781 44.437 26.329 {ca thr 148 B11.12} hotpink 42.539 42.008 27.155 {ca gly 149 B16.27} red 44.067 39.032 25.286 {ca thr 15 B20.11} red 44.265 40.137 21.654 {ca asp 151 B20.95} red 47.871 39.299 20.822 {ca gly 152 B16.49} red 48.323 39.074 24.592 {ca asn 153 B10.51} magenta 47.949 42.866 25.002 {ca leu 154 B7.85} purple 45.644 45.325 26.745 {ca glu 155 B9.05} magenta 43.728 47.306 24.118 {ca leu 156 B8.22} magenta 42.335 50.295 26.000 {ca thr 157 B8.45} magenta 40.243 51.546 23.078 {ca arg 158 B10.90} magenta 38.328 49.667 20.362 {ca val 159 B12.28} hotpink 40.147 48.186 17.456 {ca ser 16 B21.28} red 38.318 46.53 14.680 {ca ser 161 B35.20} gold 38.872 43.001 13.418 {ca asn 162 B42.44} gold 40.983 44.519 10.676 {ca gly 163 B29.13} orange 43.272 45.871 13.374 {ca ser 164 B20.38} red 42.108 49.473 12.587 {ca pro 165 B11.92} hotpink 41.50 51.799 15.508 {ca gln 166 B12.53} hotpink 37.984 53.141 15.981 {ca gly 167 B11.02} hotpink 36.896 56.638 16.835 {ca ser 168 B11.31} hotpink 34.632 57.653 19.636 {ca ser 169 B9.81} magenta 36.065 55.083 22.064 {ca val 17 B9.48} magenta 37.031 55.193 25.741 {ca gly 171 B9.63} magenta 38.398 52.393 27.954 {ca arg 172 B6.84} purple 40.304 51.902 31.217 {ca ala 173 B7.34} purple 41.949 49.169 33.232 {ca leu 174 B8.02} magenta 42.325 49.391 37.006 {ca phe 175 B7.69} purple 44.301 47.004 39.208 {ca tyr 176 B9.44} magenta 41.818 44.994 41.290 {ca ala 177 B10.33} magenta 43.237 45.623 44.727 {ca pro 178 B10.17} magenta 42.949 48.99 46.392 {ca val 179 B9.66} magenta 46.288 50.63 47.186 {ca his 18 B8.94} magenta 47.182 52.293 50.470 {ca ile 181 B11.00} hotpink 49.05 55.517 49.727 {ca trp 182 B12.11} hotpink 48.931 57.205 53.111 {ca glu 183 B10.77} magenta 48.983 55.721 56.602 {ca ser 184 B11.03} hotpink 49.248 57.503 59.933 {ca ser 185 B10.96} magenta 52.453 55.737 60.934 {ca ala 186 B10.60} magenta 54.23 56.021 57.572 {ca val 187 B10.08} magenta 57.478 57.936 57.599 {ca val 188 B12.03} hotpink 57.967 57.559 53.836 {ca ala 189 B9.92} magenta 55.387 56.568 51.202 {ca ser 19 B9.00} magenta 56.366 56.094 47.570 {ca phe 191 B10.85} magenta 55.189 54.732 44.276 {ca glu 192 B12.04} hotpink 56.562 53.98 40.859 {ca ala 193 B8.42} magenta 54.819 52.906 37.688 {ca thr 194 B8.20} magenta 56.034 51.926 34.265 {ca phe 195 B7.80} purple 54.073 51.061 31.149 {ca thr 196 B7.74} purple 54.945 50.328 27.536 {ca phe 197 B7.13} purple 52.555 51.345 24.836 {ca leu 198 B8.78} magenta 52.068 51.213 21.081 {ca ile 199 B9.70} magenta 50.102 54.091 19.614 {ca lys 20 B11.65} hotpink 49.477 53.534 15.913 {ca ser 201 B10.38} magenta 47.163 55.435 13.556 {ca pro 202 B12.61} hotpink 46.625 55.417 9.799 {ca asp 203 B12.49} hotpink 46.272 59.246 10.113 {ca ser 204 B11.81} hotpink 48.655 62.176 10.272 {ca his 205 B8.72} magenta 46.744 63.377 13.284 {ca pro 206 B8.92} magenta 46.295 60.621 15.915 {ca ala 207 B7.69} purple 44.17 61.258 18.966 {ca asp 208 B6.55} purple 43.577 61.359 21.911 {ca gly 209 B6.94} purple 46.137 59.751 24.244 {ca ile 21 B7.35} purple 46.893 57.416 27.140 {ca ala 211 B6.48} purple 47.138 58.239 30.847 {ca phe 212 B6.67} purple 48.278 56.538 33.991 {ca phe 213 B7.48} purple 45.997 57.593 36.776 {ca ile 214 B7.46} purple 45.276 57.291 40.477 {ca ser 215 B9.20} magenta 41.696 57.725 41.701 {ca asn 216 B9.34} magenta 39.131 57.042 44.389 {ca ile 217 B9.42} magenta 38.642 53.263 44.597 {ca asp 218 B11.14} hotpink 35.162 53.40 43.039 {ca ser 219 B10.40} magenta 36.217 55.496 40.020 {ca ser 22 B10.58} magenta 34.372 54.95 36.786 {ca ile 221 B9.93} magenta 34.474 56.419 33.284 {ca pro 222 B10.99} magenta 32.709 59.761 33.337 {ca ser 223 B13.95} hotpink 29.795 60.302 30.909 {ca gly 224 B12.27} hotpink 30.971 61.953 27.704 {ca ser 225 B10.05} magenta 34.767 61.516 28.351 {ca thr 226 B9.03} magenta 35.681 60.271 24.918 {ca gly 227 B6.99} purple 38.179 62.328 22.953 {ca arg 228 B7.32} purple 39.995 65.181 24.678 {ca leu 229 B8.18} magenta 38.854 64.142 28.169 {ca leu 23 B7.25} purple 40.924 60.909 28.086 {ca gly 231 B8.40} magenta 38.309 58.809 29.917 {ca leu 232 B9.68} magenta 39.312 60.749 33.050 {ca phe 233 B9.11} magenta 37.195 63.92 33.450 {ca pro 234 B12.21} hotpink 33.541 64.851 33.015 {ca asp 235 B12.13} hotpink 34.326 68.209 31.548 {ca ala 236 B14.38} hotpink 37.253 70.441 30.585 {ca asn 237 B18.46} red 37.166 72.544 33.679 @subgroup {side ch} dominant off @vectorlist {sc} color= cyan {ca ala 1 B24.39}P 32.746 63.458 40.564 {cb ala 1 B35.03} gold 33.205 64.553 39.636 {ca asp 2 B12.36}P 35.75 61.159 41.003 {cb asp 2 B12.99} hotpink 36.222 60.263 39.835 {cg asp 2 B10.89} magenta 35.357 59.029 39.633 {od1 asp 2 B13.84} hotpink 34.554 58.662 40.569 {cg asp 2 B10.89}P 35.357 59.029 39.633 {od2 asp 2 B12.98} hotpink 35.474 58.421 38.564 {ca thr 3 B10.77}P 39.147 62.535 42.168 {cb thr 3 B11.80} hotpink 39.555 62.604 43.644 {og1 thr 3 B15.49} hotpink 38.518 63.152 44.413 {cb thr 3 B11.80}P 39.555 62.604 43.644 {cg2 thr 3 B15.11} hotpink 40.786 63.475 43.812 {ca ile 4 B9.46}P 41.831 62.103 39.540 {cb ile 4 B10.41} magenta 41.316 62.144 38.100 {cg1 ile 4 B12.35} hotpink 40.075 61.29 37.919 {cd1 ile 4 B15.07} hotpink 40.269 59.815 38.052 {cb ile 4 B10.41}P 41.316 62.144 38.100 {cg2 ile 4 B12.57} hotpink 42.413 61.716 37.138 {ca val 5 B8.00}P 45.59 62.461 39.466 {cb val 5 B8.74} magenta 46.464 62.245 40.710 {cg1 val 5 B10.44} magenta 47.963 62.334 40.405 {cb val 5 B8.74}P 46.464 62.245 40.710 {cg2 val 5 B8.79} magenta 46.077 63.226 41.814 {ca ala 6 B7.51}P 47.128 61.48 36.130 {cb ala 6 B8.64} magenta 46.034 61.457 35.077 {ca val 7 B6.79}P 50.13 61.553 33.871 {cb val 7 B7.45} purple 51.436 60.83 34.123 {cg1 val 7 B8.97} magenta 52.461 61.125 32.998 {cb val 7 B7.45}P 51.436 60.83 34.123 {cg2 val 7 B8.54} magenta 51.982 61.225 35.501 {ca glu 8 B7.12}P 48.908 62.067 30.314 {cb glu 8 B6.95} purple 47.865 63.17 30.002 {cg glu 8 B7.54} purple 48.302 64.635 30.106 {cd glu 8 B7.69} purple 47.365 65.641 29.468 {oe1 glu 8 B7.84} purple 46.217 65.68 29.935 {cd glu 8 B7.69}P 47.365 65.641 29.468 {oe2 glu 8 B7.40} purple 47.778 66.376 28.543 {ca leu 9 B6.58}P 50.576 61.185 27.048 {cb leu 9 B7.50} purple 51.12 59.795 26.748 {cg bleu 9 0.62B8.91} magenta 52.094 59.148 27.717 {cd1bleu 9 0.62B9.58} magenta 52.614 57.809 27.174 {cb leu 9 B7.50}P 51.12 59.795 26.748 {cg aleu 9 0.38B6.74} purple 52.357 59.351 27.529 {cd1aleu 9 0.38B8.70} magenta 52.224 59.491 29.028 {cg bleu 9 0.62B8.91}P 52.094 59.148 27.717 {cd2bleu 9 0.62B10.30} magenta 53.292 60.058 27.835 {cg aleu 9 0.38B6.74}P 52.357 59.351 27.529 {cd2aleu 9 0.38B12.50} hotpink 52.754 57.923 27.167 {ca asp 1 B7.25}P 48.394 63.543 25.027 {cb asp 1 B6.76} purple 48.101 64.874 25.700 {cg asp 1 B6.30} purple 46.874 65.558 25.129 {od1 asp 1 B8.16} magenta 46.495 65.238 23.974 {cg asp 1 B6.30}P 46.874 65.558 25.129 {od2 asp 1 B8.23} magenta 46.32 66.507 25.780 {ca thr 11 B7.32}P 48.633 62.922 21.325 {cb thr 11 B7.03} purple 48.357 61.56 20.703 {og1 thr 11 B7.82} purple 46.96 61.314 20.812 {cb thr 11 B7.03}P 48.357 61.56 20.703 {cg2 thr 11 B9.50} magenta 49.133 60.429 21.354 {ca tyr 12 B7.04}P 46.255 65.65 20.039 {cb tyr 12 B7.62} purple 44.867 65.146 19.676 {cg tyr 12 B8.28} magenta 44.215 65.982 18.615 {cd1 tyr 12 B9.19} magenta 43.634 67.202 18.906 {ce1 tyr 12 B7.81} purple 43.11 67.999 17.915 {cz tyr 12 B8.27} magenta 43.112 67.619 16.632 {oh tyr 12 B9.78} magenta 42.555 68.405 15.642 {cg tyr 12 B8.28}P 44.215 65.982 18.615 {cd2 tyr 12 B8.13} magenta 44.229 65.609 17.293 {ce2 tyr 12 B8.10} magenta 43.678 66.426 16.319 {cz tyr 12 B8.27} magenta 43.112 67.619 16.632 {ca pro 13 B9.42}P 46.606 69.423 20.750 {cb pro 13 B10.85} magenta 47.604 70.249 19.937 {cg pro 13 B13.40} hotpink 47.505 69.624 18.551 {cd pro 13 B11.85} hotpink 47.263 68.153 18.781 {n pro 13 B8.22}P 46.631 68.095 20.099 {cd pro 13 B11.85} hotpink 47.263 68.153 18.781 {ca asn 14 B9.21}P 43.358 70.893 21.978 {cb asn 14 B8.75} magenta 42.361 70.10 22.807 {cg asn 14 B8.40} magenta 42.119 68.684 22.350 {od1 asn 14 B9.15} magenta 42.671 67.733 22.953 {cg asn 14 B8.40}P 42.119 68.684 22.350 {nd2 asn 14 B8.57} magenta 41.347 68.506 21.324 {ca thr 15 B12.73}P 44.418 74.526 22.257 {cb bthr 15 0.58B14.65} hotpink 45.287 75.261 21.242 {og1bthr 15 0.58B19.19} red 44.558 75.496 20.025 {ca thr 15 B12.73}P 44.418 74.526 22.257 {cb athr 15 0.42B13.49} hotpink 44.796 75.427 21.061 {og1athr 15 0.42B13.07} hotpink 43.569 75.758 20.441 {cb bthr 15 0.58B14.65}P 45.287 75.261 21.242 {cg2bthr 15 0.58B12.64} hotpink 46.585 74.591 20.717 {cb athr 15 0.42B13.49}P 44.796 75.427 21.061 {cg2athr 15 0.42B17.58} red 45.622 74.676 20.025 {ca asp 16 B13.37}P 41.145 75.803 23.901 {cb asp 16 B16.16} red 39.841 75.908 23.174 {cg asp 16 B19.59} red 39.126 74.635 22.914 {od1 asp 16 B29.88} orange 39.719 73.555 23.061 {cg asp 16 B19.59}P 39.126 74.635 22.914 {od2 asp 16 B18.40} red 37.93 74.723 22.501 {ca ile 17 B12.75}P 41.721 73.657 26.954 {cb ile 17 B12.63} hotpink 40.978 72.338 27.046 {cg1 ile 17 B12.81} hotpink 41.611 71.201 26.250 {cd1 ile 17 B13.56} hotpink 41.298 69.832 26.822 {cb ile 17 B12.63}P 40.978 72.338 27.046 {cg2 ile 17 B18.04} red 39.496 72.526 26.648 {ca asp 19 B9.04}P 47.15 72.044 25.469 {cb asp 19 B8.02} magenta 46.65 71.028 24.462 {cg asp 19 B7.87} purple 45.976 69.847 25.064 {od1 asp 19 B9.23} magenta 46.076 69.598 26.291 {cg asp 19 B7.87}P 45.976 69.847 25.064 {od2 asp 19 B8.24} magenta 45.405 69.045 24.231 {ca pro 2 B10.53}P 50.289 73.289 23.798 {cb pro 2 B12.53} hotpink 51.662 72.881 24.346 {cg pro 2 B12.22} hotpink 51.367 71.483 24.850 {cd pro 2 B10.74} magenta 50.045 71.663 25.576 {n pro 2 B9.84}P 49.383 72.673 24.777 {cd pro 2 B10.74} magenta 50.045 71.663 25.576 {ca ser 21 B14.71}P 50.397 73.144 20.013 {cb ser 21 B18.43} red 50.645 74.435 19.253 {og aser 21 0.55B22.72} orange 52.038 74.794 19.304 {cb ser 21 B18.43}P 50.645 74.435 19.253 {og bser 21 0.45B20.35} red 49.432 75.209 19.428 {ca tyr 22 B11.86}P 52.071 69.705 19.858 {cb tyr 22 B12.52} hotpink 53.574 70.018 19.921 {cg tyr 22 B12.42} hotpink 54.025 70.817 21.128 {cd1 tyr 22 B12.43} hotpink 54.109 70.29 22.403 {ce1 tyr 22 B14.54} hotpink 54.508 71.046 23.493 {cz tyr 22 B15.88} hotpink 54.883 72.362 23.298 {oh tyr 22 B16.72} red 55.305 73.138 24.371 {cg tyr 22 B12.42}P 54.025 70.817 21.128 {cd2 tyr 22 B15.13} hotpink 54.434 72.154 20.910 {ce2 tyr 22 B16.01} red 54.871 72.887 21.983 {cz tyr 22 B15.88} hotpink 54.883 72.362 23.298 {ca pro 23 B8.13}P 51.862 66.253 21.398 {cb pro 23 B8.22} magenta 52.415 65.087 20.606 {cg pro 23 B13.11} hotpink 52.045 65.455 19.161 {cd pro 23 B10.93} magenta 52.381 66.899 19.104 {n pro 23 B9.60}P 52.012 67.34 20.450 {cd pro 23 B10.93} magenta 52.381 66.899 19.104 {ca his 24 B7.30}P 52.913 66.515 25.015 {cb his 24 B8.20} magenta 52.381 67.892 25.462 {cg his 24 B7.78} purple 50.897 68.017 25.533 {nd1 his 24 B8.04} magenta 50.103 68.184 24.415 {ce1 his 24 B7.63} purple 48.825 68.196 24.804 {ne2 his 24 B7.98} purple 48.737 68.072 26.113 {ce1 his 24 B7.63} purple 48.825 68.196 24.804 {cg his 24 B7.78}P 50.897 68.017 25.533 {cd2 his 24 B8.06} magenta 50.047 67.968 26.560 {ne2 his 24 B7.98} purple 48.737 68.072 26.113 {ce1 his 24 B7.63} purple 48.825 68.196 24.804 {ca ile 25 B8.75}P 53.326 64.818 28.394 {cb aile 25 0.74B7.73} purple 54.557 64.012 28.781 {cg1aile 25 0.74B9.57} magenta 54.313 63.16 30.013 {cd1aile 25 0.74B9.49} magenta 55.468 62.227 30.340 {ca ile 25 B8.75}P 53.326 64.818 28.394 {cb bile 25 0.26B9.68} magenta 54.558 64.032 28.839 {cg1bile 25 0.26B9.29} magenta 55.723 64.893 29.273 {cd1bile 25 0.26B12.96} hotpink 56.931 64.172 29.801 {cb aile 25 0.74B7.73}P 54.557 64.012 28.781 {cg2aile 25 0.74B8.55} magenta 55.802 64.829 28.871 {cb bile 25 0.26B9.68}P 54.558 64.032 28.839 {cg2bile 25 0.26B12.70} hotpink 54.962 63.068 27.734 {ca ile 27 B7.67}P 50.624 66.247 34.923 {cb ile 27 B8.53} magenta 51.624 66.651 35.991 {cg1 ile 27 B12.18} hotpink 52.923 65.934 35.821 {cd1bile 27 0.60B10.24} magenta 54.167 66.099 36.563 {cb ile 27 B8.53}P 51.624 66.651 35.991 {cg2 ile 27 B9.60} magenta 51.056 66.464 37.374 {cg1 ile 27 B12.18}P 52.923 65.934 35.821 {cd1aile 27 0.40B9.96} magenta 53.224 64.547 35.831 {ca asp 28 B8.07}P 46.852 66.486 35.613 {cb asp 28 B7.85} purple 45.935 65.696 34.676 {cg asp 28 B7.61} purple 46.226 65.904 33.213 {od1 asp 28 B9.76} magenta 47.044 66.78 32.878 {cg asp 28 B7.61}P 46.226 65.904 33.213 {od2 asp 28 B8.66} magenta 45.661 65.113 32.397 {ca ile 29 B8.48}P 45.695 67.264 39.176 {cb ile 29 B8.88} magenta 46.568 68.066 40.091 {cg1 ile 29 B9.73} magenta 48.062 67.72 39.943 {cd1 ile 29 B12.17} hotpink 48.41 66.289 40.228 {cb ile 29 B8.88}P 46.568 68.066 40.091 {cg2 ile 29 B10.13} magenta 46.096 67.894 41.516 {ca lys 3 B10.58}P 41.876 67.196 39.279 {cb lys 3 B11.48} hotpink 41.475 67.79 40.608 {cg lys 3 B14.73} hotpink 41.853 66.838 41.744 {cd lys 3 B26.95} orange 41.342 67.098 43.136 {ce lys 3 B35.98} gold 41.321 68.524 43.515 {nz lys 3 B38.79} gold 40.594 68.621 44.855 {ca ser 31 B10.15}P 41.60 68.744 35.800 {cb ser 31 B9.60} magenta 41.911 70.215 35.947 {og ser 31 B13.52} hotpink 41.491 70.982 34.850 {ca val 32 B9.38}P 42.29 67.889 32.195 {cb val 32 B9.86} magenta 41.235 67.593 31.107 {cg1 val 32 B12.09} hotpink 40.654 68.884 30.546 {cb val 32 B9.86}P 41.235 67.593 31.107 {cg2 val 32 B12.36} hotpink 41.798 66.704 29.979 {ca arg 33 B10.80}P 44.073 71.311 32.004 {cb arg 33 B12.46} hotpink 43.366 72.609 32.311 {cg arg 33 B13.24} hotpink 42.182 72.863 31.412 {cd arg 33 B19.10} red 41.464 74.138 31.694 {ne arg 33 B16.03} red 40.273 74.386 30.898 {cz arg 33 B19.89} red 40.031 75.275 29.941 {nh1 arg 33 B29.88} orange 41.005 76.071 29.519 {cz arg 33 B19.89}P 40.031 75.275 29.941 {nh2 arg 33 B29.00} orange 38.802 75.27 29.410 {ca ser 34 B10.61}P 47.479 70.064 32.937 {cb ser 34 B10.10} magenta 48.539 69.513 32.004 {og ser 34 B9.44} magenta 48.063 68.492 31.162 {ca lys 35 B9.23}P 49.384 71.819 35.720 {cb lys 35 B10.01} magenta 49.467 71.398 37.186 {cg lys 35 B9.48} magenta 48.145 71.074 37.827 {cd lys 35 B11.09} hotpink 47.141 72.208 37.778 {ce lys 35 B11.92} hotpink 45.853 71.845 38.518 {nz lys 35 B14.33} hotpink 44.829 72.896 38.470 {ca lys 36 B11.05}P 52.677 71.225 33.820 {cb lys 36 B13.43} hotpink 53.753 70.808 34.808 {cg lys 36 B16.06} red 55.152 71.181 34.466 {cd lys 36 B26.02} orange 55.415 72.637 34.901 {ce lys 36 B31.50} orange 56.935 72.856 34.832 {nz lys 36 B31.24} orange 57.676 72.096 35.936 {ca thr 37 B10.11}P 53.482 69.956 30.317 {cb thr 37 B12.13} hotpink 52.565 70.342 29.167 {og1 thr 37 B14.39} hotpink 52.845 71.624 28.615 {cb thr 37 B12.13}P 52.565 70.342 29.167 {cg2 thr 37 B13.28} hotpink 51.059 70.374 29.566 {ca ala 38 B9.52}P 56.487 69.165 28.190 {cb ala 38 B10.37} magenta 57.636 68.415 28.859 {ca lys 39 B8.99}P 56.888 68.624 24.470 {cb lys 39 B10.20} magenta 57.824 69.433 23.576 {cg lys 39 B10.04} magenta 57.735 69.052 22.096 {cd lys 39 B16.79} red 58.405 70.075 21.188 {ce lys 39 B22.71} orange 58.422 69.828 19.713 {nz lys 39 B34.94} gold 57.292 69.288 19.049 {ca trp 4 B9.28}P 56.654 64.956 23.458 {cb trp 4 B7.98} purple 55.551 64.198 24.113 {cg trp 4 B8.07} magenta 55.597 62.729 23.904 {cd1 trp 4 B9.08} magenta 56.69 61.932 23.869 {ne1 trp 4 B10.00} magenta 56.297 60.617 23.617 {ce2 trp 4 B8.79} magenta 54.933 60.563 23.538 {ne1 trp 4 B10.00} magenta 56.297 60.617 23.617 {cg trp 4 B8.07}P 55.597 62.729 23.904 {cd2 trp 4 B8.03} magenta 54.47 61.88 23.710 {ce2 trp 4 B8.79} magenta 54.933 60.563 23.538 {cz2 trp 4 B10.37} magenta 54.045 59.541 23.333 {ch2 trp 4 B10.73} magenta 52.719 59.802 23.325 {cd2 trp 4 B8.03}P 54.47 61.88 23.710 {ce3 trp 4 B8.31} magenta 53.101 62.09 23.696 {cz3 trp 4 B9.83} magenta 52.226 61.073 23.482 {ch2 trp 4 B10.73} magenta 52.719 59.802 23.325 {ca asn 41 B10.09}P 57.987 63.84 20.075 {cb asn 41 B10.71} magenta 59.47 64.036 19.691 {cg asn 41 B11.00} hotpink 59.947 65.501 19.733 {od1 asn 41 B14.48} hotpink 60.953 65.942 20.329 {cg asn 41 B11.00}P 59.947 65.501 19.733 {nd2 asn 41 B12.39} hotpink 59.166 66.313 19.056 {ca met 42 B11.29}P 55.494 61.071 19.707 {cb met 42 B12.13} hotpink 54.035 61.333 19.897 {cg amet 42 0.67B12.13} hotpink 53.114 60.15 19.800 {sd amet 42 0.67B14.27} hotpink 52.587 59.94 18.037 {ce amet 42 0.67B21.30} red 51.725 58.451 18.336 {cb met 42 B12.13}P 54.035 61.333 19.897 {cg bmet 42 0.33B18.13} red 53.103 60.14 19.701 {sd bmet 42 0.33B30.61} orange 52.029 60.452 18.272 {ce bmet 42 0.33B12.95} hotpink 51.305 62.008 18.784 {ca gln 43 B12.15}P 56.287 58.356 17.132 {cb gln 43 B13.94} hotpink 57.642 57.659 17.289 {cg gln 43 B15.37} hotpink 58.848 58.621 17.374 {cd gln 43 B21.65} red 60.221 57.974 17.356 {oe1 gln 43 B15.67} hotpink 61.175 58.363 18.111 {cd gln 43 B21.65}P 60.221 57.974 17.356 {ne2 gln 43 B22.63} orange 60.411 56.981 16.528 {ca asn 44 B11.49}P 53.35 56.729 15.399 {cb asn 44 B13.49} hotpink 52.709 57.341 14.159 {cg asn 44 B14.52} hotpink 51.483 56.62 13.686 {od1 asn 44 B13.94} hotpink 51.243 55.494 13.938 {cg asn 44 B14.52}P 51.483 56.62 13.686 {nd2 asn 44 B18.11} red 50.666 57.317 12.906 {ca lys 46 B11.86}P 56.755 52.643 17.669 {cb lys 46 B15.91} hotpink 57.891 53.674 17.647 {cg lys 46 B24.78} orange 59.253 53.11 17.988 {cd lys 46 B41.08} gold 60.353 53.999 17.439 {ce lys 46 B40.55} gold 61.744 53.958 18.024 {nz lys 46 B40.35} gold 62.897 53.584 17.073 {ca val 47 B10.29}P 56.722 51.097 21.172 {cb val 47 B11.91} hotpink 57.18 49.658 21.417 {cg1 val 47 B13.38} hotpink 57.062 49.38 22.898 {cb val 47 B11.91}P 57.18 49.658 21.417 {cg2 val 47 B13.68} hotpink 56.269 48.652 20.663 {ca thr 49 B7.51}P 57.852 53.471 27.652 {cb thr 49 B9.79} magenta 59.10 52.695 28.083 {og1 thr 49 B16.06} red 59.137 51.48 27.319 {cb thr 49 B9.79}P 59.10 52.695 28.083 {cg2 thr 49 B12.33} hotpink 59.072 52.356 29.542 {ca ala 5 B6.48}P 56.662 55.798 30.356 {cb ala 5 B10.79} magenta 55.252 56.375 30.315 {ca his 51 B7.66}P 57.891 55.969 33.958 {cb his 51 B10.85} magenta 59.407 55.919 34.196 {cg his 51 B10.34} magenta 60.159 54.875 33.454 {nd1 his 51 B14.51} hotpink 60.051 53.529 33.737 {ce1 his 51 B16.52} red 60.817 52.875 32.856 {ne2 his 51 B13.84} hotpink 61.308 53.757 32.004 {ce1 his 51 B16.52} red 60.817 52.875 32.856 {cg his 51 B10.34}P 60.159 54.875 33.454 {cd2 his 51 B13.53} hotpink 60.931 55.035 32.335 {ne2 his 51 B13.84} hotpink 61.308 53.757 32.004 {ce1 his 51 B16.52} red 60.817 52.875 32.856 {ca ile 52 B8.10}P 56.062 57.732 36.818 {cb ile 52 B8.72} magenta 54.537 57.626 36.798 {cg1 ile 52 B10.91} magenta 53.949 57.856 35.391 {cd1 ile 52 B12.54} hotpink 53.646 56.589 34.604 {cb ile 52 B8.72}P 54.537 57.626 36.798 {cg2 ile 52 B11.23} hotpink 53.983 58.678 37.739 {ca ile 53 B7.52}P 57.557 58.333 40.285 {cb ile 53 B9.38} magenta 59.086 58.34 40.190 {cg1 ile 53 B12.60} hotpink 59.645 59.526 39.433 {cd1 ile 53 B15.25} hotpink 61.154 59.726 39.540 {cb ile 53 B9.38}P 59.086 58.34 40.190 {cg2 ile 53 B15.46} hotpink 59.639 57.035 39.656 {ca tyr 54 B7.25}P 56.53 59.987 43.515 {cb tyr 54 B8.56} magenta 54.994 60.081 43.530 {cg tyr 54 B7.82} purple 54.438 60.988 44.609 {cd1 tyr 54 B7.51} purple 54.321 62.362 44.433 {ce1 tyr 54 B7.50} purple 53.837 63.203 45.418 {cz tyr 54 B9.56} magenta 53.462 62.697 46.643 {oh tyr 54 B11.30} hotpink 52.976 63.563 47.582 {cg tyr 54 B7.82}P 54.438 60.988 44.609 {cd2 tyr 54 B8.75} magenta 54.027 60.508 45.835 {ce2 tyr 54 B10.39} magenta 53.554 61.337 46.837 {cz tyr 54 B9.56} magenta 53.462 62.697 46.643 {ca asn 55 B7.55}P 57.346 60.001 47.235 {cb asn 55 B8.39} magenta 58.758 59.561 47.592 {cg asn 55 B8.43} magenta 59.737 60.694 47.763 {od1 asn 55 B9.31} magenta 59.695 61.445 48.768 {cg asn 55 B8.43}P 59.737 60.694 47.763 {nd2 asn 55 B10.88} magenta 60.574 60.887 46.760 {ca ser 56 B8.23}P 55.762 61.709 50.209 {cb ser 56 B9.70} magenta 54.93 60.932 51.240 {og ser 56 B11.06} hotpink 55.803 60.181 52.042 {ca val 57 B8.97}P 58.998 63.257 51.489 {cb val 57 B9.18} magenta 60.325 62.567 51.758 {cg1 val 57 B12.55} hotpink 61.353 63.538 52.299 {cb val 57 B9.18}P 60.325 62.567 51.758 {cg2 val 57 B13.79} hotpink 60.147 61.42 52.736 {ca asp 58 B10.23}P 59.703 65.283 48.365 {cb asp 58 B10.08} magenta 60.537 64.732 47.196 {cg asp 58 B11.79} hotpink 61.924 64.296 47.670 {od1 asp 58 B13.82} hotpink 62.418 64.78 48.717 {cg asp 58 B11.79}P 61.924 64.296 47.670 {od2 asp 58 B13.84} hotpink 62.495 63.398 46.998 {ca lys 59 B9.72}P 56.034 65.701 47.202 {cb lys 59 B10.59} magenta 55.463 66.713 48.213 {cg lys 59 B13.61} hotpink 55.359 66.099 49.618 {cd lys 59 B16.22} red 54.92 67.149 50.617 {ce lys 59 B22.51} orange 54.927 66.704 52.068 {nz lys 59 B34.16} gold 54.365 65.358 52.242 {ca arg 6 B9.86}P 56.975 65.872 43.506 {cb arg 6 B10.89} magenta 58.414 66.327 43.281 {cg aarg 6 0.50B11.69} hotpink 58.699 66.992 41.935 {cd aarg 6 0.50B22.23} orange 59.754 67.997 42.217 {ne aarg 6 0.50B23.69} orange 60.441 68.491 41.069 {cz aarg 6 0.50B25.91} orange 60.141 69.552 40.349 {nh1aarg 6 0.50B31.79} orange 59.021 70.234 40.555 {cb arg 6 B10.89}P 58.414 66.327 43.281 {cg barg 6 0.50B11.34} hotpink 58.633 66.829 41.848 {cd barg 6 0.50B12.31} hotpink 60.027 67.287 41.587 {ne barg 6 0.50B13.14} hotpink 60.312 68.461 42.405 {cz barg 6 0.50B21.70} red 61.532 68.97 42.517 {nh1barg 6 0.50B30.20} orange 62.544 68.43 41.867 {cz barg 6 0.50B21.70}P 61.532 68.97 42.517 {nh2barg 6 0.50B30.55} orange 61.58 70.058 43.255 {cz aarg 6 0.50B25.91}P 60.141 69.552 40.349 {nh2aarg 6 0.50B19.88} red 61.008 69.848 39.378 {ca leu 61 B8.03}P 55.168 63.883 40.843 {cb leu 61 B8.20} magenta 53.668 64.032 40.616 {cg leu 61 B8.93} magenta 53.068 62.973 39.668 {cd1 leu 61 B10.04} magenta 53.318 61.539 40.078 {cg leu 61 B8.93}P 53.068 62.973 39.668 {cd2 leu 61 B10.64} magenta 51.549 63.214 39.548 {ca ser 62 B8.11}P 57.563 63.217 37.959 {cb ser 62 B9.19} magenta 59.026 63.238 38.373 {og ser 62 B8.25} magenta 59.264 64.464 39.059 {ca ala 63 B7.23}P 57.331 61.336 34.679 {cb ala 63 B8.75} magenta 55.931 61.35 34.113 {ca val 64 B7.56}P 59.726 60.373 31.832 {cb val 64 B9.53} magenta 61.097 59.87 32.256 {cg1 val 64 B13.96} hotpink 62.049 59.946 31.074 {cb val 64 B9.53}P 61.097 59.87 32.256 {cg2 val 64 B11.83} hotpink 61.651 60.68 33.360 {ca val 65 B8.31}P 58.796 58.969 28.393 {cb val 65 B8.23} magenta 57.454 59.416 27.837 {cg1bval 65 0.74B8.86} magenta 57.484 60.815 27.192 {cb val 65 B8.23}P 57.454 59.416 27.837 {cg1aval 65 0.26B11.70} hotpink 57.034 58.485 26.692 {cb val 65 B8.23}P 57.454 59.416 27.837 {cg2bval 65 0.74B10.07} magenta 56.813 58.393 26.900 {cb val 65 B8.23}P 57.454 59.416 27.837 {cg2aval 65 0.26B11.64} hotpink 56.405 59.279 28.926 {ca ser 66 B8.53}P 61.107 57.633 25.705 {cb ser 66 B10.81} magenta 62.441 57.275 26.301 {og ser 66 B13.59} hotpink 62.431 55.948 26.780 {ca tyr 67 B8.95}P 61.48 55.481 22.630 {cb tyr 67 B10.09} magenta 61.015 55.859 21.239 {cg tyr 67 B8.29} magenta 59.592 56.316 21.182 {cd1 tyr 67 B9.02} magenta 58.524 55.431 21.078 {ce1 tyr 67 B10.54} magenta 57.186 55.826 21.013 {cz tyr 67 B14.57} hotpink 56.846 57.134 21.048 {oh tyr 67 B20.67} red 55.565 57.617 20.919 {cg tyr 67 B8.29}P 59.592 56.316 21.182 {cd2 tyr 67 B14.09} hotpink 59.234 57.664 21.165 {ce2 tyr 67 B15.48} hotpink 57.881 58.027 21.132 {cz tyr 67 B14.57} hotpink 56.846 57.134 21.048 {ca pro 68 B10.87}P 64.489 53.357 21.641 {cb pro 68 B13.46} hotpink 64.278 51.97 21.120 {cg pro 68 B18.27} red 63.009 51.469 21.752 {cd pro 68 B11.80} hotpink 62.143 52.692 21.875 {n pro 68 B9.78}P 63.114 53.771 22.026 {cd pro 68 B11.80} hotpink 62.143 52.692 21.875 {ca asn 69 B11.59}P 67.06 55.436 19.684 {cb asn 69 B16.21} red 66.971 54.899 18.235 {cg asn 69 B13.50} hotpink 67.451 53.449 18.211 {od1 asn 69 B25.71} orange 68.614 53.136 18.447 {cg asn 69 B13.50}P 67.451 53.449 18.211 {nd2 asn 69 B28.21} orange 66.482 52.60 17.931 {ca ala 7 B9.02}P 65.394 58.674 20.830 {cb ala 7 B10.43} magenta 63.912 58.815 20.587 {ca asp 71 B7.31}P 65.846 61.272 23.549 {cb asp 71 B7.95} purple 66.10 62.737 23.254 {cg asp 71 B7.71} purple 67.478 63.032 22.692 {od1 asp 71 B9.31} magenta 68.492 62.371 23.020 {cg asp 71 B7.71}P 67.478 63.032 22.692 {od2 asp 71 B10.13} magenta 67.56 64.029 21.903 {ca ser 72 B8.78}P 63.366 61.359 26.437 {cb ser 72 B12.22} hotpink 63.823 61.057 27.905 {og ser 72 B14.71} hotpink 64.521 59.87 27.898 {ca ala 73 B8.78}P 60.768 63.882 27.522 {cb ala 73 B11.21} hotpink 59.457 64.092 26.736 {ca thr 74 B7.25}P 60.128 64.628 31.216 {cb thr 74 B8.42} magenta 61.451 64.535 31.967 {og1 thr 74 B10.04} magenta 61.175 64.266 33.351 {cb thr 74 B8.42}P 61.451 64.535 31.967 {cg2 thr 74 B11.62} hotpink 62.266 65.787 31.986 {ca val 75 B7.88}P 57.743 66.625 33.347 {cb val 75 B9.37} magenta 56.361 66.742 32.665 {cg1 val 75 B10.58} magenta 55.49 65.508 32.837 {cb val 75 B9.37}P 56.361 66.742 32.665 {cg2 val 75 B13.32} hotpink 55.616 68.008 33.037 {ca ser 76 B10.53}P 57.519 67.296 37.084 {cb ser 76 B11.62} hotpink 58.862 67.485 37.763 {og ser 76 B10.85} magenta 59.816 66.495 37.416 {ca tyr 77 B9.16}P 55.043 69.075 39.366 {cb tyr 77 B10.85} magenta 53.633 68.963 38.828 {cg tyr 77 B10.21} magenta 52.677 70.007 39.371 {cd1 tyr 77 B11.94} hotpink 52.891 71.347 39.117 {ce1 tyr 77 B13.83} hotpink 52.006 72.313 39.658 {cz tyr 77 B13.32} hotpink 50.921 71.908 40.409 {oh tyr 77 B19.07} red 50.058 72.874 40.895 {cg tyr 77 B10.21}P 52.677 70.007 39.371 {cd2 tyr 77 B11.77} hotpink 51.564 69.637 40.133 {ce2 tyr 77 B12.83} hotpink 50.687 70.57 40.622 {cz tyr 77 B13.32} hotpink 50.921 71.908 40.409 {ca asp 78 B9.54}P 55.247 69.835 43.097 {cb asp 78 B11.94} hotpink 55.988 71.025 43.716 {cg aasp 78 0.50B13.23} hotpink 57.483 70.976 43.679 {od1aasp 78 0.50B15.84} hotpink 58.102 69.935 43.371 {cb asp 78 B11.94}P 55.988 71.025 43.716 {cg basp 78 0.50B16.20} red 57.416 71.039 43.172 {od1basp 78 0.50B18.35} red 58.135 70.025 43.350 {cg basp 78 0.50B16.20}P 57.416 71.039 43.172 {od2basp 78 0.50B26.82} orange 57.778 71.988 42.420 {cg aasp 78 0.50B13.23}P 57.483 70.976 43.679 {od2aasp 78 0.50B20.10} red 58.001 72.054 44.021 {ca val 79 B9.78}P 52.137 68.447 44.708 {cb val 79 B10.38} magenta 51.199 68.025 43.590 {cg1 val 79 B11.02} hotpink 51.713 66.813 42.868 {cb val 79 B10.38}P 51.199 68.025 43.590 {cg2 val 79 B14.66} hotpink 49.831 67.754 44.148 {ca asp 8 B9.24}P 51.351 66.845 48.047 {cb asp 8 B10.65} magenta 51.231 67.545 49.379 {cg asp 8 B11.05} hotpink 51.258 66.591 50.556 {od1 asp 8 B11.42} hotpink 51.062 65.391 50.354 {cg asp 8 B11.05}P 51.258 66.591 50.556 {od2 asp 8 B16.15} red 51.486 67.119 51.699 {ca leu 81 B10.86}P 49.198 63.959 46.924 {cb leu 81 B11.34} hotpink 49.71 62.74 46.174 {cg leu 81 B14.69} hotpink 50.036 62.858 44.708 {cd1 leu 81 B15.43} hotpink 50.847 61.72 44.149 {cg leu 81 B14.69}P 50.036 62.858 44.708 {cd2 leu 81 B15.17} hotpink 49.373 63.888 43.844 {ca asp 82 B11.13}P 47.994 63.38 50.458 {cb asp 82 B16.16} red 48.861 63.116 51.690 {cg asp 82 B18.59} red 49.63 61.802 51.460 {od1 asp 82 B26.36} orange 49.147 60.821 50.732 {cg asp 82 B18.59}P 49.63 61.802 51.460 {od2 asp 82 B21.46} red 50.752 61.757 51.970 {ca asn 83 B10.52}P 46.108 66.647 50.082 {cb asn 83 B11.77} hotpink 46.853 67.991 50.090 {cg asn 83 B10.51} magenta 47.487 68.293 51.427 {od1 asn 83 B12.38} hotpink 47.208 67.589 52.407 {cg asn 83 B10.51}P 47.487 68.293 51.427 {nd2 asn 83 B13.16} hotpink 48.342 69.309 51.404 {ca val 84 B10.01}P 44.573 65.598 46.734 {cb val 84 B12.66} hotpink 45.419 65.618 45.472 {cg1 val 84 B13.17} hotpink 44.519 65.407 44.293 {cb val 84 B12.66}P 45.419 65.618 45.472 {cg2 val 84 B14.69} hotpink 46.191 66.94 45.427 {ca leu 85 B9.59}P 43.834 61.891 46.948 {cb leu 85 B10.29} magenta 44.876 60.915 46.364 {cg leu 85 B10.60} magenta 45.102 61.122 44.883 {cd1 leu 85 B12.83} hotpink 46.42 60.409 44.550 {cg leu 85 B10.60}P 45.102 61.122 44.883 {cd2 leu 85 B13.55} hotpink 43.897 60.629 44.057 {ca pro 86 B10.54}P 42.138 59.718 49.612 {cb pro 86 B11.51} hotpink 40.81 59.015 49.251 {cg pro 86 B10.82} magenta 40.918 58.801 47.766 {cd pro 86 B11.41} hotpink 41.656 59.993 47.259 {n pro 86 B10.45}P 42.48 60.447 48.377 {cd pro 86 B11.41} hotpink 41.656 59.993 47.259 {ca glu 87 B10.73}P 44.106 57.31 51.776 {cb glu 87 B16.08} red 43.678 57.117 53.278 {cg glu 87 B15.89} hotpink 44.376 56.003 53.976 {cd glu 87 B14.77} hotpink 44.175 55.831 55.475 {oe1 glu 87 B17.56} red 43.299 56.607 56.004 {cd glu 87 B14.77}P 44.175 55.831 55.475 {oe2 glu 87 B17.48} red 44.864 54.958 56.066 {ca trp 88 B8.01}P 43.076 54.318 49.663 {cb trp 88 B8.38} magenta 42.075 53.342 50.230 {cg trp 88 B8.41} magenta 42.513 52.629 51.451 {cd1 trp 88 B10.15} magenta 42.318 52.947 52.752 {ne1 trp 88 B9.75} magenta 42.89 52.048 53.582 {ce2 trp 88 B10.23} magenta 43.492 51.084 52.831 {ne1 trp 88 B9.75} magenta 42.89 52.048 53.582 {cg trp 88 B8.41}P 42.513 52.629 51.451 {cd2 trp 88 B8.89} magenta 43.299 51.431 51.497 {ce2 trp 88 B10.23} magenta 43.492 51.084 52.831 {cz2 trp 88 B11.18} hotpink 44.194 49.947 53.217 {ch2 trp 88 B11.44} hotpink 44.667 49.126 52.232 {cd2 trp 88 B8.89}P 43.299 51.431 51.497 {ce3 trp 88 B9.26} magenta 43.809 50.584 50.531 {cz3 trp 88 B9.74} magenta 44.494 49.444 50.878 {ch2 trp 88 B11.44} hotpink 44.667 49.126 52.232 {ca val 89 B7.86}P 43.03 54.581 45.859 {cb val 89 B7.87} purple 44.096 55.538 45.355 {cg1 val 89 B9.78} magenta 44.045 56.863 46.067 {cb val 89 B7.87}P 44.096 55.538 45.355 {cg2 val 89 B8.79} magenta 45.446 54.886 45.432 {ca arg 9 B8.75}P 42.989 52.457 42.766 {cb arg 9 B9.17} magenta 41.783 51.797 42.045 {cg arg 9 B10.27} magenta 41.214 50.661 42.902 {cd arg 9 B10.27} magenta 40.237 49.78 42.107 {ne arg 9 B9.96} magenta 39.874 48.52 42.814 {cz arg 9 B13.09} hotpink 38.84 48.311 43.578 {nh1 arg 9 B15.24} hotpink 37.974 49.326 43.835 {cz arg 9 B13.09}P 38.84 48.311 43.578 {nh2 arg 9 B13.47} hotpink 38.687 47.149 44.219 {ca val 91 B7.18}P 45.559 52.824 40.015 {cb val 91 B8.01} magenta 47.041 52.548 40.350 {cg1 val 91 B11.47} hotpink 47.463 53.284 41.608 {cb val 91 B8.01}P 47.041 52.548 40.350 {cg2 val 91 B9.52} magenta 47.352 51.091 40.400 {ca leu 93 B6.86}P 45.497 53.163 32.681 {cb leu 93 B8.03} magenta 46.309 52.212 31.807 {cg leu 93 B7.71} purple 47.623 51.747 32.432 {cd1 leu 93 B8.11} magenta 48.241 50.629 31.616 {cg leu 93 B7.71}P 47.623 51.747 32.432 {cd2 leu 93 B11.28} hotpink 48.593 52.863 32.595 {ca ser 94 B7.06}P 42.985 55.099 30.528 {cb ser 94 B8.69} magenta 42.385 56.319 31.279 {og ser 94 B8.62} magenta 41.076 56.61 30.762 {ca ala 95 B7.25}P 42.786 56.105 26.886 {cb ala 95 B8.93} magenta 43.582 55.109 26.006 {ca ser 96 B7.27}P 40.368 57.601 24.369 {cb ser 96 B7.31} purple 39.686 58.80 24.991 {og ser 96 B8.96} magenta 40.628 59.856 24.958 {ca thr 97 B7.42}P 39.682 58.443 20.772 {cb thr 97 B7.96} purple 39.736 57.349 19.712 {og1 thr 97 B9.00} magenta 38.573 56.569 19.798 {cb thr 97 B7.96}P 39.736 57.349 19.712 {cg2 thr 97 B7.95} purple 40.939 56.441 19.854 {ca leu 99 B11.79}P 36.689 62.01 15.716 {cb leu 99 B14.09} hotpink 36.083 63.313 15.250 {cg leu 99 B16.80} red 34.556 63.426 15.492 {cd1 leu 99 B15.24} hotpink 33.895 64.716 15.064 {cg leu 99 B16.80}P 34.556 63.426 15.492 {cd2 leu 99 B17.79} red 33.538 62.409 15.798 {ca tyr 10 B8.28}P 40.479 61.493 15.398 {cb tyr 10 B9.07} magenta 41.51 62.595 15.629 {cg tyr 10 B8.65} magenta 41.325 63.809 14.704 {cd1 tyr 10 B10.38} magenta 40.564 64.891 15.078 {ce1 tyr 10 B11.79} hotpink 40.441 66.001 14.275 {cz tyr 10 B10.67} magenta 41.128 66.041 13.072 {oh tyr 10 B14.36} hotpink 41.095 67.144 12.200 {cg tyr 10 B8.65}P 41.325 63.809 14.704 {cd2 tyr 10 B8.80} magenta 42.01 63.878 13.502 {ce2 tyr 10 B10.21} magenta 41.933 64.97 12.696 {cz tyr 10 B10.67} magenta 41.128 66.041 13.072 {ca lys 101 B8.46}P 41.807 58.083 16.424 {cb lys 101 B10.48} magenta 40.76 57.211 15.764 {cg lys 101 B15.59} hotpink 41.092 57.018 14.281 {cd lys 101 B21.33} red 39.928 56.391 13.551 {ce lys 101 B19.99} red 40.305 56.071 12.101 {nz lys 101 B25.18} orange 40.482 57.284 11.285 {ca glu 102 B7.60}P 44.693 55.735 17.265 {cb glu 102 B7.84} purple 45.716 56.592 18.010 {cg glu 102 B7.42} purple 45.487 56.693 19.490 {cd glu 102 B7.88} purple 46.159 57.827 20.206 {oe1 glu 102 B8.03} magenta 46.536 58.836 19.595 {cd glu 102 B7.88}P 46.159 57.827 20.206 {oe2 glu 102 B9.02} magenta 46.254 57.786 21.483 {ca thr 103 B8.99}P 45.30 52.364 18.832 {cb thr 103 B9.95} magenta 46.095 51.151 18.364 {og1 thr 103 B12.16} hotpink 47.497 51.469 18.265 {cb thr 103 B9.95}P 46.095 51.151 18.364 {cg2 thr 103 B11.21} hotpink 45.706 50.712 17.021 {ca asn 104 B8.36}P 46.006 52.624 22.563 {cb asn 104 B8.56} magenta 45.015 53.493 23.373 {cg asn 104 B7.17} purple 44.837 54.873 22.733 {od1 asn 104 B8.46} magenta 45.824 55.616 22.711 {cg asn 104 B7.17}P 44.837 54.873 22.733 {nd2 asn 104 B10.20} magenta 43.611 55.177 22.330 {ca thr 105 B7.30}P 47.761 49.337 23.079 {cb thr 105 B8.81} magenta 48.297 48.614 21.852 {og1 thr 105 B9.76} magenta 47.457 48.858 20.754 {cb thr 105 B8.81}P 48.297 48.614 21.852 {cg2 thr 105 B11.08} hotpink 48.504 47.132 22.114 {ca ile 106 B7.53}P 49.502 48.473 26.356 {cb ile 106 B7.55} purple 48.749 48.655 27.688 {cg1 ile 106 B8.64} magenta 48.028 50.016 27.742 {cd1 ile 106 B10.05} magenta 48.948 51.219 27.661 {cb ile 106 B7.55}P 48.749 48.655 27.688 {cg2 ile 106 B8.39} magenta 49.749 48.466 28.846 {ca leu 107 B8.35}P 52.21 45.843 26.114 {cb leu 107 B9.44} magenta 53.369 45.966 25.176 {cg leu 107 B13.76} hotpink 53.154 46.363 23.737 {cd1 leu 107 B20.77} red 54.499 46.254 23.015 {cg leu 107 B13.76}P 53.154 46.363 23.737 {cd2 leu 107 B22.17} orange 52.156 45.505 23.069 {ca ser 108 B9.22}P 53.308 45.893 29.805 {cb ser 108 B10.36} magenta 54.811 45.662 29.803 {og ser 108 B15.07} hotpink 55.488 46.887 29.670 {ca trp 109 B6.97}P 52.446 47.641 33.077 {cb trp 109 B7.91} purple 50.933 47.858 33.158 {cg trp 109 B7.62} purple 50.475 48.865 34.175 {cd1 trp 109 B7.45} purple 51.134 49.934 34.663 {ne1 trp 109 B8.89} magenta 50.335 50.636 35.544 {ce2 trp 109 B8.00} magenta 49.129 50.013 35.633 {ne1 trp 109 B8.89} magenta 50.335 50.636 35.544 {cg trp 109 B7.62}P 50.475 48.865 34.175 {cd2 trp 109 B7.42} purple 49.169 48.918 34.763 {ce2 trp 109 B8.00} magenta 49.129 50.013 35.633 {cz2 trp 109 B9.69} magenta 48.004 50.321 36.415 {ch2 trp 109 B12.04} hotpink 46.868 49.541 36.341 {cd2 trp 109 B7.42}P 49.169 48.918 34.763 {ce3 trp 109 B10.08} magenta 48.01 48.148 34.720 {cz3 trp 109 B12.26} hotpink 46.909 48.451 35.463 {ch2 trp 109 B12.04} hotpink 46.868 49.541 36.341 {ca ser 11 B8.50}P 54.183 47.517 36.430 {cb ser 11 B11.56} hotpink 55.614 47.003 36.416 {og ser 11 B15.70} hotpink 56.464 48.045 36.060 {ca phe 111 B8.15}P 53.587 49.307 39.723 {cb phe 111 B8.52} magenta 52.096 49.492 39.847 {cg phe 111 B8.70} magenta 51.683 50.425 40.933 {cd1 phe 111 B9.53} magenta 51.687 51.801 40.758 {ce1 phe 111 B9.62} magenta 51.372 52.667 41.784 {cz phe 111 B9.25} magenta 50.955 52.20 43.000 {cg phe 111 B8.70}P 51.683 50.425 40.933 {cd2 phe 111 B9.30} magenta 51.261 49.985 42.164 {ce2 phe 111 B10.40} magenta 50.929 50.847 43.206 {cz phe 111 B9.25} magenta 50.955 52.20 43.000 {ca thr 112 B9.18}P 55.147 49.375 43.163 {cb thr 112 B11.69} hotpink 56.701 49.217 43.235 {og1 thr 112 B13.78} hotpink 57.10 48.197 42.321 {cb thr 112 B11.69}P 56.701 49.217 43.235 {cg2 thr 112 B13.11} hotpink 57.201 48.793 44.628 {ca ser 113 B9.50}P 53.854 51.199 46.234 {cb ser 113 B11.35} hotpink 52.364 51.428 46.385 {og aser 113 0.52B12.59} hotpink 51.637 50.305 46.659 {cb ser 113 B11.35}P 52.364 51.428 46.385 {og bser 113 0.48B16.52} red 51.948 52.177 47.480 {ca lys 114 B11.23}P 55.652 51.222 49.566 {cb lys 114 B14.03} hotpink 57.176 51.226 49.503 {cg lys 114 B19.81} red 57.795 50.27 48.523 {cd lys 114 B29.33} orange 59.283 50.233 48.561 {ce lys 114 B35.66} gold 59.967 49.565 47.384 {nz blys 114 0.63B43.35} gold 61.139 50.438 47.011 {ce lys 114 B35.66}P 59.967 49.565 47.384 {nz alys 114 0.37B49.09} yellow 60.521 48.247 47.847 {ca leu 115 B10.23}P 54.831 52.504 53.015 {cb leu 115 B14.27} hotpink 53.411 52.295 53.619 {cg leu 115 B14.08} hotpink 52.263 52.708 52.801 {cd1 leu 115 B17.94} red 50.944 52.26 53.477 {cg leu 115 B14.08}P 52.263 52.708 52.801 {cd2 leu 115 B19.83} red 52.232 54.214 52.681 {ca lys 116 B12.04}P 57.70 52.495 55.545 {cb lys 116 B15.24} hotpink 59.085 52.964 55.122 {cg lys 116 B23.09} orange 59.613 52.425 53.807 {cd alys 116 0.63B20.59} red 60.809 53.155 53.180 {ce alys 116 0.63B26.92} orange 61.614 52.484 52.103 {nz alys 116 0.63B36.11} gold 62.416 53.442 51.244 {cg lys 116 B23.09}P 59.613 52.425 53.807 {cd blys 116 0.37B22.15} orange 61.108 52.21 53.703 {ce blys 116 0.37B22.27} orange 61.519 51.267 52.583 {nz blys 116 0.37B25.46} orange 61.182 51.961 51.313 {ca ser 117 B12.93}P 56.518 52.959 59.160 {cb ser 117 B16.96} red 55.487 52.137 59.910 {og ser 117 B21.27} red 56.112 50.901 60.185 {ca asn 118 B11.83}P 58.545 53.866 62.285 {cb asn 118 B13.02} hotpink 58.285 55.109 63.132 {cg asn 118 B12.82} hotpink 57.023 54.953 63.953 {od1 asn 118 B18.59} red 55.979 54.428 63.542 {cg asn 118 B12.82}P 57.023 54.953 63.953 {nd2 asn 118 B14.02} hotpink 56.99 55.508 65.148 {ca ser 119 B18.87}P 58.13 50.391 63.665 {cb ser 119 B25.50} orange 56.938 49.479 63.360 {og bser 119 0.54B46.53} yellow 57.117 48.699 62.147 {cb ser 119 B25.50}P 56.938 49.479 63.360 {og aser 119 0.46B41.19} gold 55.787 50.045 63.999 {ca thr 12 B35.75}P 60.945 47.901 63.948 {cb thr 12 B43.40} gold 61.019 46.877 65.120 {og1 thr 12 B65.67} yellowtint 60.188 45.716 64.980 {cb thr 12 B43.40}P 61.019 46.877 65.120 {cg2 thr 12 B70.16} yellowtint 60.688 47.452 66.504 {ca his 121 B35.34}P 59.384 45.90 61.122 {cb his 121 B45.09} yellow 58.588 44.693 61.638 {cg his 121 B54.12} yellow 59.461 43.702 62.392 {nd1 his 121 B56.53} yellow 59.393 43.50 63.763 {ce1 his 121 B53.14} yellow 60.253 42.538 64.108 {ne2 his 121 B54.57} yellow 60.849 42.078 63.012 {ce1 his 121 B53.14} yellow 60.253 42.538 64.108 {cg his 121 B54.12}P 59.461 43.702 62.392 {cd2 his 121 B58.85} yellow 60.333 42.757 61.929 {ne2 his 121 B54.57} yellow 60.849 42.078 63.012 {ce1 his 121 B53.14} yellow 60.253 42.538 64.108 {ca glu 122 B28.01}P 58.839 48.878 58.865 {cb glu 122 B30.46} orange 59.865 50.033 58.930 {cg glu 122 B43.25} gold 60.749 50.26 57.687 {cd glu 122 B33.11} gold 61.893 49.233 57.732 {oe1 glu 122 B42.29} gold 61.868 48.37 58.672 {cd glu 122 B33.11}P 61.893 49.233 57.732 {oe2 glu 122 B42.54} gold 62.773 49.343 56.856 {ca thr 123 B24.59}P 58.00 47.91 55.369 {cb thr 123 B40.85} gold 59.107 47.578 54.385 {og1 thr 123 B61.16} yellow 60.35 47.453 55.045 {cb thr 123 B40.85}P 59.107 47.578 54.385 {cg2 thr 123 B56.23} yellow 59.113 48.548 53.182 {ca asn 124 B16.05}P 54.721 47.438 53.611 {cb asn 124 B18.15} red 53.588 48.168 54.280 {cg asn 124 B17.01} red 53.674 47.997 55.810 {od1 asn 124 B13.04} hotpink 53.051 47.064 56.290 {cg asn 124 B17.01}P 53.674 47.997 55.810 {nd2 asn 124 B24.13} orange 54.457 48.835 56.492 {ca ala 125 B9.58}P 54.44 47.017 49.858 {cb ala 125 B12.93} hotpink 55.853 46.493 49.464 {ca leu 126 B8.33}P 52.328 46.182 46.857 {cb leu 126 B9.92} magenta 50.977 46.848 46.626 {cg leu 126 B10.15} magenta 50.192 46.288 45.432 {cd1 leu 126 B10.34} magenta 49.684 44.886 45.699 {cg leu 126 B10.15}P 50.192 46.288 45.432 {cd2 leu 126 B13.09} hotpink 49.071 47.228 45.030 {ca his 127 B8.09}P 53.856 45.285 43.511 {cb his 127 B9.18} magenta 55.314 44.839 43.571 {cg his 127 B10.16} magenta 55.93 44.57 42.252 {nd1 his 127 B9.80} magenta 56.366 45.54 41.405 {ce1 his 127 B13.55} hotpink 56.841 45.00 40.306 {ne2 his 127 B13.35} hotpink 56.763 43.667 40.385 {ce1 his 127 B13.55} hotpink 56.841 45.00 40.306 {cg his 127 B10.16}P 55.93 44.57 42.252 {cd2 his 127 B13.08} hotpink 56.162 43.404 41.619 {ne2 his 127 B13.35} hotpink 56.763 43.667 40.385 {ce1 his 127 B13.55} hotpink 56.841 45.00 40.306 {ca phe 128 B6.62}P 52.464 43.987 40.273 {cb phe 128 B8.21} magenta 50.98 44.077 40.051 {cg phe 128 B7.91} purple 50.39 45.448 39.699 {cd1 phe 128 B9.59} magenta 50.466 45.879 38.383 {ce1 phe 128 B10.10} magenta 49.911 47.091 38.031 {cz phe 128 B11.58} hotpink 49.241 47.851 38.981 {cg phe 128 B7.91}P 50.39 45.448 39.699 {cd2 phe 128 B9.35} magenta 49.775 46.231 40.652 {ce2 phe 128 B11.08} hotpink 49.237 47.453 40.304 {cz phe 128 B11.58} hotpink 49.241 47.851 38.981 {ca met 129 B8.31}P 53.945 43.411 36.852 {cb met 129 B9.76} magenta 55.40 42.929 36.961 {cg met 129 B12.42} hotpink 56.099 42.984 35.617 {sd amet 129 0.50B17.01} red 57.85 42.53 35.716 {ce amet 129 0.50B20.71} red 58.416 44.014 36.550 {cg met 129 B12.42}P 56.099 42.984 35.617 {sd bmet 129 0.50B22.72} orange 57.903 42.848 35.811 {ce bmet 129 0.50B29.49} orange 57.862 41.201 36.548 {ca phe 13 B8.64}P 52.118 42.497 33.664 {cb phe 13 B9.32} magenta 50.782 43.14 33.268 {cg phe 13 B9.22} magenta 49.677 43.111 34.290 {cd1 phe 13 B10.18} magenta 49.534 44.143 35.237 {ce1 phe 13 B10.45} magenta 48.541 44.094 36.187 {cz phe 13 B11.64} hotpink 47.655 43.051 36.277 {cg phe 13 B9.22}P 49.677 43.111 34.290 {cd2 phe 13 B13.13} hotpink 48.704 42.138 34.331 {ce2 phe 13 B15.21} hotpink 47.746 42.057 35.277 {cz phe 13 B11.64} hotpink 47.655 43.051 36.277 {ca asn 131 B11.29}P 54.116 41.572 30.560 {cb asn 131 B13.96} hotpink 55.497 40.952 30.599 {cg asn 131 B16.06} red 56.42 42.10 30.880 {od1 asn 131 B20.77} red 56.524 43.079 30.105 {cg asn 131 B16.06}P 56.42 42.10 30.880 {nd2 asn 131 B21.01} red 57.016 42.029 32.043 {ca gln 132 B16.84}P 51.138 39.92 28.942 {cb gln 132 B20.37} red 51.477 38.472 28.633 {cg gln 132 B27.19} orange 51.296 37.465 29.732 {cd agln 132 0.58B24.65} orange 51.948 36.14 29.404 {oe1agln 132 0.58B32.44} gold 52.802 36.029 28.536 {cg gln 132 B27.19}P 51.296 37.465 29.732 {cd bgln 132 0.42B31.44} orange 50.528 36.221 29.297 {oe1bgln 132 0.42B27.59} orange 51.175 35.33 28.720 {cd agln 132 0.58B24.65}P 51.948 36.14 29.404 {ne2agln 132 0.58B30.79} orange 51.397 35.103 30.037 {cd bgln 132 0.42B31.44}P 50.528 36.221 29.297 {ne2bgln 132 0.42B22.01} orange 49.225 36.126 29.616 {ca phe 133 B12.98}P 47.354 40.04 29.332 {cb phe 133 B12.50} hotpink 46.797 41.407 29.026 {cg phe 133 B11.30} hotpink 47.582 42.581 29.547 {cd1 phe 133 B9.73} magenta 48.636 43.134 28.889 {ce1 phe 133 B11.00} hotpink 49.397 44.199 29.346 {cz phe 133 B9.83} magenta 49.07 44.75 30.561 {cg phe 133 B11.30}P 47.582 42.581 29.547 {cd2 phe 133 B10.70} magenta 47.28 43.173 30.743 {ce2 phe 133 B11.28} hotpink 47.981 44.243 31.246 {cz phe 133 B9.83} magenta 49.07 44.75 30.561 {ca ser 134 B18.55}P 45.027 37.064 29.041 {cb ser 134 B23.29} orange 44.878 36.094 30.187 {og aser 134 0.53B27.74} orange 43.59 35.574 30.349 {cb ser 134 B23.29}P 44.878 36.094 30.187 {og bser 134 0.47B34.14} gold 45.983 35.263 30.475 {ca lys 135 B18.74}P 41.422 37.098 27.672 {cb lys 135 B27.91} orange 40.709 36.225 26.653 {cg lys 135 B42.05} gold 39.19 36.157 26.661 {cd lys 135 B53.12} yellow 38.618 35.093 27.562 {ce alys 135 0.60B57.97} yellow 39.056 33.656 27.533 {nz alys 135 0.60B26.94} orange 39.27 32.918 28.810 {cd lys 135 B53.12}P 38.618 35.093 27.562 {ce blys 135 0.40B40.79} gold 37.169 34.998 27.951 {nz blys 135 0.40B46.49} yellow 36.908 34.053 29.080 {ca asp 136 B18.67}P 40.209 36.723 31.230 {cb asp 136 B21.29} red 39.469 35.439 31.570 {cg asp 136 B21.35} red 38.724 35.553 32.887 {od1 asp 136 B31.19} orange 38.123 36.591 33.286 {cg asp 136 B21.35}P 38.724 35.553 32.887 {od2 asp 136 B24.32} orange 38.607 34.563 33.599 {ca gln 137 B10.35}P 42.542 38.896 33.275 {cb gln 137 B11.30} hotpink 43.278 40.026 32.608 {cg gln 137 B11.11} hotpink 44.531 40.431 33.326 {cd gln 137 B11.16} hotpink 45.621 39.371 33.263 {oe1 gln 137 B14.65} hotpink 45.912 38.786 32.209 {cd gln 137 B11.16}P 45.621 39.371 33.263 {ne2 gln 137 B12.03} hotpink 46.162 39.036 34.419 {ca lys 138 B9.54}P 40.862 38.631 36.655 {cb lys 138 B9.92} magenta 40.536 37.324 37.397 {cg lys 138 B10.66} magenta 39.815 36.249 36.580 {cd lys 138 B13.10} hotpink 39.357 35.142 37.514 {ce lys 138 B15.26} hotpink 38.80 33.954 36.798 {nz lys 138 B21.41} red 37.52 34.397 36.183 {ca asp 139 B9.34}P 43.17 41.038 38.493 {cb asp 139 B9.18} magenta 44.537 40.64 39.018 {cg asp 139 B8.99} magenta 45.508 40.328 37.934 {od1 asp 139 B10.01} magenta 45.14 40.347 36.748 {cg asp 139 B8.99}P 45.508 40.328 37.934 {od2 asp 139 B10.48} magenta 46.663 40.076 38.324 {ca leu 14 B8.02}P 42.147 43.913 36.217 {cb leu 14 B9.47} magenta 42.705 44.103 34.831 {cg leu 14 B8.95} magenta 44.234 44.101 34.671 {cd1 leu 14 B13.53} hotpink 44.62 44.239 33.197 {cg leu 14 B8.95}P 44.234 44.101 34.671 {cd2 leu 14 B12.01} hotpink 44.814 45.269 35.456 {ca ile 141 B9.16}P 38.898 45.823 36.302 {cb ile 141 B10.25} magenta 38.435 46.744 37.462 {cg1 ile 141 B11.00} hotpink 38.488 46.039 38.807 {cd1 ile 141 B13.28} hotpink 38.448 47.023 39.970 {cb ile 141 B10.25}P 38.435 46.744 37.462 {cg2 ile 141 B12.29} hotpink 37.095 47.39 37.167 {ca leu 142 B10.15}P 38.097 46.691 32.658 {cb leu 142 B9.98} magenta 38.094 45.646 31.547 {cg leu 142 B11.71} hotpink 39.361 44.753 31.507 {cd1 leu 142 B12.00} hotpink 39.249 43.86 30.254 {cg leu 142 B11.71}P 39.361 44.753 31.507 {cd2 leu 142 B12.63} hotpink 40.66 45.556 31.421 {ca gln 143 B9.27}P 35.90 49.66 31.929 {cb gln 143 B9.18} magenta 36.102 50.874 32.867 {cg gln 143 B9.72} magenta 36.188 50.433 34.334 {cd gln 143 B10.52} magenta 36.302 51.588 35.294 {oe1 gln 143 B11.51} hotpink 36.901 52.627 34.973 {cd gln 143 B10.52}P 36.302 51.588 35.294 {ne2 gln 143 B10.65} magenta 35.772 51.39 36.511 {ca asp 145 B10.20}P 35.817 49.519 25.552 {cb asp 145 B10.20} magenta 36.025 50.449 24.322 {cg asp 145 B10.75} magenta 34.77 51.143 23.846 {od1 asp 145 B13.65} hotpink 33.707 50.537 24.052 {cg asp 145 B10.75}P 34.77 51.143 23.846 {od2 asp 145 B12.15} hotpink 34.848 52.232 23.237 {ca ala 146 B9.33}P 38.971 48.062 27.149 {cb ala 146 B9.72} magenta 39.538 48.478 28.529 {ca thr 147 B9.66}P 39.781 44.437 26.329 {cb thr 147 B12.09} hotpink 39.323 43.919 24.953 {og1 thr 147 B13.96} hotpink 40.15 44.455 23.923 {cb thr 147 B12.09}P 39.323 43.919 24.953 {cg2 thr 147 B13.88} hotpink 37.927 44.375 24.666 {ca thr 148 B11.12}P 42.539 42.008 27.155 {cb thr 148 B10.86} magenta 42.865 41.62 28.637 {og1 thr 148 B13.17} hotpink 41.762 40.89 29.188 {cb thr 148 B10.86}P 42.865 41.62 28.637 {cg2 thr 148 B13.19} hotpink 43.144 42.83 29.493 {ca thr 15 B20.11}P 44.265 40.137 21.654 {cb thr 15 B24.78} orange 43.526 41.274 20.948 {og1 thr 15 B33.19} gold 42.135 41.047 21.227 {cb thr 15 B24.78}P 43.526 41.274 20.948 {cg2 thr 15 B29.39} orange 43.671 41.173 19.425 {ca asp 151 B20.95}P 47.871 39.299 20.822 {cb asp 151 B29.00} orange 48.426 40.362 19.871 {cg basp 151 0.58B33.23} gold 49.709 39.958 19.159 {od1basp 151 0.58B41.03} gold 50.219 38.808 19.178 {cb asp 151 B29.00}P 48.426 40.362 19.871 {cg aasp 151 0.42B31.46} orange 48.129 39.935 18.439 {od1aasp 151 0.42B42.81} gold 48.786 38.964 17.989 {cg basp 151 0.58B33.23}P 49.709 39.958 19.159 {od2basp 151 0.58B33.74} gold 50.276 40.842 18.455 {cg aasp 151 0.42B31.46}P 48.129 39.935 18.439 {od2aasp 151 0.42B34.66} gold 47.182 40.484 17.848 {ca asn 153 B10.51}P 47.949 42.866 25.002 {cb asn 153 B12.23} hotpink 48.318 43.774 23.805 {cg asn 153 B12.84} hotpink 49.637 43.353 23.194 {od1 asn 153 B16.74} red 50.592 42.924 23.823 {cg asn 153 B12.84}P 49.637 43.353 23.194 {nd2 asn 153 B16.11} red 49.669 43.431 21.877 {ca leu 154 B7.85}P 45.644 45.325 26.745 {cb leu 154 B8.79} magenta 45.949 45.855 28.113 {cg leu 154 B8.86} magenta 45.145 47.003 28.659 {cd1 leu 154 B9.68} magenta 43.683 46.662 28.819 {cg leu 154 B8.86}P 45.145 47.003 28.659 {cd2 leu 154 B9.24} magenta 45.788 47.459 29.972 {ca glu 155 B9.05}P 43.728 47.306 24.118 {cb glu 155 B10.15} magenta 42.987 46.647 22.939 {cg glu 155 B10.80} magenta 43.924 45.868 22.044 {cd glu 155 B10.57} magenta 44.885 46.684 21.168 {oe1 glu 155 B10.09} magenta 45.057 47.892 21.368 {cd glu 155 B10.57}P 44.885 46.684 21.168 {oe2 glu 155 B12.11} hotpink 45.472 46.034 20.221 {ca leu 156 B8.22}P 42.335 50.295 26.000 {cb leu 156 B8.10} magenta 43.151 51.414 26.553 {cg leu 156 B8.50} magenta 44.121 51.07 27.665 {cd1 leu 156 B8.08} magenta 45.168 52.144 27.901 {cg leu 156 B8.50}P 44.121 51.07 27.665 {cd2 leu 156 B9.20} magenta 43.406 50.721 28.952 {ca thr 157 B8.45}P 40.243 51.546 23.078 {cb thr 157 B8.70} magenta 40.515 52.959 22.536 {og1 thr 157 B9.74} magenta 41.818 53.049 21.963 {cb thr 157 B8.70}P 40.515 52.959 22.536 {cg2 thr 157 B9.64} magenta 40.407 53.961 23.645 {ca arg 158 B10.90}P 38.328 49.667 20.362 {cb arg 158 B15.79} hotpink 36.871 49.939 20.030 {cg arg 158 B23.27} orange 36.078 48.867 19.308 {cd arg 158 B34.03} gold 35.975 47.634 20.195 {ne arg 158 B30.36} orange 35.047 47.961 21.306 {cz arg 158 B36.65} gold 34.838 47.125 22.334 {nh1 arg 158 B41.61} gold 35.439 45.971 22.456 {cz arg 158 B36.65}P 34.838 47.125 22.334 {nh2 arg 158 B31.29} orange 33.968 47.425 23.282 {ca val 159 B12.28}P 40.147 48.186 17.456 {cb val 159 B14.56} hotpink 41.547 47.626 17.664 {cg1aval 159 0.79B19.65} red 42.284 47.385 16.376 {cb val 159 B14.56}P 41.547 47.626 17.664 {cg1bval 159 0.21B12.24} hotpink 42.453 48.583 18.393 {cb val 159 B14.56}P 41.547 47.626 17.664 {cg2aval 159 0.79B18.36} red 42.341 48.413 18.706 {cb val 159 B14.56}P 41.547 47.626 17.664 {cg2bval 159 0.21B17.29} red 41.648 46.184 17.848 {ca ser 16 B21.28}P 38.318 46.53 14.680 {cb ser 16 B26.31} orange 37.849 47.059 13.338 {og bser 16 0.55B26.53} orange 39.065 46.879 12.560 {cb ser 16 B26.31}P 37.849 47.059 13.338 {og aser 16 0.45B32.93} gold 38.019 48.362 12.931 {ca ser 161 B35.20}P 38.872 43.001 13.418 {cb ser 161 B42.58} gold 37.814 42.078 12.779 {og aser 161 0.55B46.60} yellow 36.98 41.501 13.787 {cb ser 161 B42.58}P 37.814 42.078 12.779 {og bser 161 0.45B71.34} yellowtint 36.503 42.479 13.172 {ca asn 162 B42.44}P 40.983 44.519 10.676 {cb asn 162 B48.65} yellow 40.627 45.761 9.843 {cg aasn 162 0.55B43.71} gold 39.848 46.721 10.735 {od1aasn 162 0.55B39.70} gold 40.194 46.718 11.916 {cb asn 162 B48.65}P 40.627 45.761 9.843 {cg basn 162 0.45B60.05} yellow 39.213 45.928 9.360 {od1basn 162 0.45B66.23} yellowtint 38.259 46.10 10.133 {cg aasn 162 0.55B43.71}P 39.848 46.721 10.735 {nd2aasn 162 0.55B35.56} gold 38.878 47.445 10.212 {cg basn 162 0.45B60.05}P 39.213 45.928 9.360 {nd2basn 162 0.45B68.68} yellowtint 39.06 46.003 8.028 {ca ser 164 B20.38}P 42.108 49.473 12.587 {cb ser 164 B29.07} orange 41.174 49.809 11.400 {og aser 164 0.59B52.84} yellow 41.076 51.218 11.196 {cb ser 164 B29.07}P 41.174 49.809 11.400 {og bser 164 0.41B21.99} red 41.743 49.246 10.256 {ca pro 165 B11.92}P 41.50 51.799 15.508 {cb pro 165 B12.74} hotpink 42.527 52.844 15.868 {cg pro 165 B14.81} hotpink 43.288 53.132 14.592 {cd pro 165 B14.63} hotpink 43.297 51.798 13.856 {n pro 165 B13.45}P 42.08 51.134 14.347 {cd pro 165 B14.63} hotpink 43.297 51.798 13.856 {ca gln 166 B12.53}P 37.984 53.141 15.981 {cb gln 166 B14.36} hotpink 36.848 52.311 16.538 {cg gln 166 B29.29} orange 36.495 51.017 15.808 {cd bgln 166 0.55B28.96} orange 35.28 50.276 16.437 {oe1bgln 166 0.55B25.22} orange 34.427 50.684 17.253 {cg gln 166 B29.29}P 36.495 51.017 15.808 {cd agln 166 0.45B27.73} orange 36.566 51.182 14.286 {oe1agln 166 0.45B32.00} gold 35.642 51.682 13.651 {cd bgln 166 0.55B28.96}P 35.28 50.276 16.437 {ne2bgln 166 0.55B33.30} gold 35.153 49.01 15.989 {cd agln 166 0.45B27.73}P 36.566 51.182 14.286 {ne2agln 166 0.45B28.18} orange 37.707 50.855 13.670 {ca ser 168 B11.31}P 34.632 57.653 19.636 {cb ser 168 B12.19} hotpink 33.226 57.769 19.030 {og ser 168 B15.16} hotpink 33.21 58.821 18.106 {ca ser 169 B9.81}P 36.065 55.083 22.064 {cb ser 169 B8.97} magenta 36.945 54.038 21.394 {og ser 169 B9.56} magenta 37.251 52.925 22.189 {ca val 17 B9.48}P 37.031 55.193 25.741 {cb val 17 B10.38} magenta 36.306 56.311 26.447 {cg1 val 17 B12.45} hotpink 34.864 55.923 26.692 {cb val 17 B10.38}P 36.306 56.311 26.447 {cg2 val 17 B13.70} hotpink 36.983 56.75 27.736 {ca arg 172 B6.84}P 40.304 51.902 31.217 {cb arg 172 B7.31} purple 39.825 52.845 32.320 {cg arg 172 B8.94} magenta 39.246 54.126 31.801 {cd arg 172 B8.12} magenta 39.107 55.24 32.798 {ne arg 172 B9.27} magenta 38.353 54.841 33.958 {cz arg 172 B8.89} magenta 38.131 55.685 34.953 {nh1 arg 172 B10.00} magenta 38.395 56.985 34.858 {cz arg 172 B8.89}P 38.131 55.685 34.953 {nh2 arg 172 B9.11} magenta 37.626 55.215 36.090 {ca ala 173 B7.34}P 41.949 49.169 33.232 {cb ala 173 B8.66} magenta 43.014 48.299 32.518 {ca leu 174 B8.02}P 42.325 49.391 37.006 {cb leu 174 B9.59} magenta 41.238 50.005 37.829 {cg leu 174 B12.38} hotpink 40.459 51.23 37.422 {cd1 leu 174 B15.61} hotpink 39.687 51.372 36.163 {cg leu 174 B12.38}P 40.459 51.23 37.422 {cd2 leu 174 B15.62} hotpink 40.166 52.214 38.519 {ca phe 175 B7.69}P 44.301 47.004 39.208 {cb phe 175 B9.05} magenta 45.708 47.218 39.838 {cg phe 175 B8.16} magenta 46.192 45.905 40.441 {cd1 phe 175 B10.14} magenta 46.545 44.848 39.613 {ce1 phe 175 B11.32} hotpink 47.013 43.635 40.109 {cz phe 175 B11.10} hotpink 47.113 43.519 41.486 {cg phe 175 B8.16}P 46.192 45.905 40.441 {cd2 phe 175 B10.67} magenta 46.256 45.729 41.793 {ce2 phe 175 B10.47} magenta 46.772 44.547 42.311 {cz phe 175 B11.10} hotpink 47.113 43.519 41.486 {ca tyr 176 B9.44}P 41.818 44.994 41.290 {cb tyr 176 B12.17} hotpink 41.742 43.463 41.172 {cg tyr 176 B12.06} hotpink 40.423 42.872 41.573 {cd1 tyr 176 B20.65} red 39.376 42.683 40.658 {ce1 tyr 176 B27.61} orange 38.205 42.096 41.185 {cz tyr 176 B22.61} orange 38.08 41.743 42.507 {oh tyr 176 B34.98} gold 36.972 41.178 43.042 {cg tyr 176 B12.06}P 40.423 42.872 41.573 {cd2 tyr 176 B12.57} hotpink 40.243 42.508 42.887 {ce2 tyr 176 B17.80} red 39.112 41.905 43.346 {cz tyr 176 B22.61} orange 38.08 41.743 42.507 {ca ala 177 B10.33}P 43.237 45.623 44.727 {cb ala 177 B11.09} hotpink 44.518 44.996 45.285 {ca pro 178 B10.17}P 42.949 48.99 46.392 {cb pro 178 B13.03} hotpink 41.951 49.207 47.503 {cg pro 178 B19.89} red 41.228 47.991 47.753 {cd pro 178 B13.54} hotpink 41.782 46.906 46.872 {n pro 178 B9.55}P 42.711 47.603 45.969 {cd pro 178 B13.54} hotpink 41.782 46.906 46.872 {ca val 179 B9.66}P 46.288 50.63 47.186 {cb val 179 B10.72} magenta 47.018 51.201 45.951 {cg1 val 179 B13.04} hotpink 48.463 51.517 46.278 {cb val 179 B10.72}P 47.018 51.201 45.951 {cg2 val 179 B14.08} hotpink 46.921 50.281 44.740 {ca his 18 B8.94}P 47.182 52.293 50.470 {cb his 18 B10.88} magenta 47.431 51.384 51.694 {cg his 18 B10.77} magenta 46.939 52.00 52.951 {nd1 his 18 B13.09} hotpink 47.104 51.343 54.149 {ce1 his 18 B11.93} hotpink 46.596 52.087 55.118 {ne2 his 18 B11.27} hotpink 46.096 53.173 54.656 {ce1 his 18 B11.93} hotpink 46.596 52.087 55.118 {cg his 18 B10.77}P 46.939 52.00 52.951 {cd2 his 18 B11.82} hotpink 46.319 53.15 53.258 {ne2 his 18 B11.27} hotpink 46.096 53.173 54.656 {ce1 his 18 B11.93} hotpink 46.596 52.087 55.118 {ca ile 181 B11.00}P 49.05 55.517 49.727 {cb ile 181 B13.65} hotpink 48.728 56.272 48.425 {cg1 ile 181 B12.87} hotpink 47.441 57.085 48.558 {cd1 ile 181 B15.17} hotpink 47.274 58.096 47.395 {cb ile 181 B13.65}P 48.728 56.272 48.425 {cg2 ile 181 B14.24} hotpink 48.787 55.292 47.250 {ca trp 182 B12.11}P 48.931 57.205 53.111 {cb trp 182 B13.86} hotpink 48.174 58.531 53.159 {cg trp 182 B14.90} hotpink 48.396 59.257 54.451 {cd1 trp 182 B15.72} hotpink 49.441 60.109 54.711 {ne1 trp 182 B17.16} red 49.341 60.543 56.027 {ce2 trp 182 B14.47} hotpink 48.25 59.987 56.662 {ne1 trp 182 B17.16} red 49.341 60.543 56.027 {cg trp 182 B14.90}P 48.396 59.257 54.451 {cd2 trp 182 B12.33} hotpink 47.657 59.149 55.701 {ce2 trp 182 B14.47} hotpink 48.25 59.987 56.662 {cz2 trp 182 B15.60} hotpink 47.791 60.15 57.958 {ch2 trp 182 B16.53} red 46.636 59.42 58.262 {cd2 trp 182 B12.33}P 47.657 59.149 55.701 {ce3 trp 182 B14.20} hotpink 46.491 58.428 56.042 {cz3 trp 182 B14.89} hotpink 46.013 58.58 57.341 {ch2 trp 182 B16.53} red 46.636 59.42 58.262 {ca glu 183 B10.77}P 48.983 55.721 56.602 {cb glu 183 B14.50} hotpink 49.501 54.268 56.616 {cg glu 183 B15.54} hotpink 48.762 53.397 57.617 {cd glu 183 B15.97} hotpink 49.417 53.352 58.998 {oe1 glu 183 B23.64} orange 50.644 53.683 59.055 {cd glu 183 B15.97}P 49.417 53.352 58.998 {oe2 glu 183 B38.35} gold 48.777 52.916 59.977 {ca ser 184 B11.03}P 49.248 57.503 59.933 {cb ser 184 B11.27} hotpink 48.207 57.559 61.087 {og ser 184 B13.71} hotpink 48.165 56.224 61.665 {ca ser 185 B10.96}P 52.453 55.737 60.934 {cb ser 185 B13.56} hotpink 52.504 54.361 61.619 {og bser 185 0.58B17.58} red 52.522 53.311 60.690 {cb ser 185 B13.56}P 52.504 54.361 61.619 {og aser 185 0.42B16.56} red 51.549 54.175 62.661 {ca ala 186 B10.60}P 54.23 56.021 57.572 {cb ala 186 B15.16} hotpink 53.619 56.052 56.166 {ca val 187 B10.08}P 57.478 57.936 57.599 {cb val 187 B12.18} hotpink 58.669 57.567 58.498 {cg1 val 187 B15.97} hotpink 58.135 57.246 59.915 {cb val 187 B12.18}P 58.669 57.567 58.498 {cg2 val 187 B13.96} hotpink 59.541 56.481 57.939 {ca val 188 B12.03}P 57.967 57.559 53.836 {cb val 188 B20.12} red 59.34 57.122 53.339 {cg1 val 188 B24.27} orange 59.42 57.691 51.901 {cb val 188 B20.12}P 59.34 57.122 53.339 {cg2 val 188 B26.80} orange 60.432 57.83 54.058 {ca ala 189 B9.92}P 55.387 56.568 51.202 {cb ala 189 B12.02} hotpink 53.955 57.012 51.343 {ca ser 19 B9.00}P 56.366 56.094 47.570 {cb ser 19 B11.54} hotpink 57.864 55.819 47.432 {og ser 19 B16.59} red 58.164 54.411 47.686 {ca phe 191 B10.85}P 55.189 54.732 44.276 {cb phe 191 B13.05} hotpink 53.708 54.799 44.052 {cg phe 191 B13.64} hotpink 53.144 56.088 43.489 {cd1 phe 191 B15.62} hotpink 53.175 56.371 42.125 {ce1 phe 191 B15.01} hotpink 52.701 57.618 41.710 {cz phe 191 B17.07} red 52.042 58.441 42.630 {cg phe 191 B13.64}P 53.144 56.088 43.489 {cd2 phe 191 B15.06} hotpink 52.50 56.963 44.354 {ce2 phe 191 B16.25} red 51.856 58.103 43.971 {cz phe 191 B17.07} red 52.042 58.441 42.630 {ca glu 192 B12.04}P 56.562 53.98 40.859 {cb glu 192 B18.98} red 58.022 53.532 40.796 {cg glu 192 B26.95} orange 58.433 52.141 41.113 {cd bglu 192 0.63B37.24} gold 59.786 51.569 40.745 {oe1bglu 192 0.63B43.46} gold 60.32 51.72 39.614 {cg glu 192 B26.95}P 58.433 52.141 41.113 {cd aglu 192 0.37B34.93} gold 59.893 51.86 40.753 {oe1aglu 192 0.37B26.29} orange 60.778 52.395 41.459 {cd bglu 192 0.63B37.24}P 59.786 51.569 40.745 {oe2bglu 192 0.63B27.98} orange 60.31 50.831 41.616 {cd aglu 192 0.37B34.93}P 59.893 51.86 40.753 {oe2aglu 192 0.37B46.96} yellow 60.143 51.164 39.738 {ca ala 193 B8.42}P 54.819 52.906 37.688 {cb ala 193 B10.87} magenta 53.415 53.48 37.521 {ca thr 194 B8.20}P 56.034 51.926 34.265 {cb thr 194 B9.78} magenta 57.303 51.065 34.212 {og1 thr 194 B13.92} hotpink 58.319 51.632 35.027 {cb thr 194 B9.78}P 57.303 51.065 34.212 {cg2 thr 194 B13.83} hotpink 57.933 50.921 32.807 {ca phe 195 B7.80}P 54.073 51.061 31.149 {cb phe 195 B8.21} magenta 52.61 51.434 31.139 {cg phe 195 B8.31} magenta 52.265 52.859 30.780 {cd1 phe 195 B9.90} magenta 52.219 53.863 31.724 {ce1 phe 195 B9.79} magenta 51.901 55.158 31.347 {cz phe 195 B10.74} magenta 51.598 55.434 30.005 {cg phe 195 B8.31}P 52.265 52.859 30.780 {cd2 phe 195 B10.99} magenta 51.932 53.143 29.438 {ce2 phe 195 B10.72} magenta 51.56 54.437 29.090 {cz phe 195 B10.74} magenta 51.598 55.434 30.005 {ca thr 196 B7.74}P 54.945 50.328 27.536 {cb thr 196 B8.79} magenta 55.887 49.185 27.262 {og1athr 196 0.57B10.57} magenta 55.332 47.924 27.284 {cb thr 196 B8.79}P 55.887 49.185 27.262 {og1bthr 196 0.43B9.28} magenta 56.934 49.213 28.244 {cb thr 196 B8.79}P 55.887 49.185 27.262 {cg2athr 196 0.57B9.40} magenta 57.168 49.341 28.040 {cb thr 196 B8.79}P 55.887 49.185 27.262 {cg2bthr 196 0.43B7.21} purple 56.266 48.79 25.967 {ca phe 197 B7.13}P 52.555 51.345 24.836 {cb phe 197 B8.76} magenta 51.958 52.694 25.284 {cg phe 197 B7.79} purple 52.886 53.878 25.161 {cd1 phe 197 B8.16} magenta 53.759 54.232 26.190 {ce1 phe 197 B9.71} magenta 54.693 55.248 26.101 {cz phe 197 B9.94} magenta 54.719 55.96 24.926 {cg phe 197 B7.79}P 52.886 53.878 25.161 {cd2 phe 197 B9.63} magenta 52.941 54.655 24.027 {ce2 phe 197 B12.19} hotpink 53.891 55.632 23.878 {cz phe 197 B9.94} magenta 54.719 55.96 24.926 {ca leu 198 B8.78}P 52.068 51.213 21.081 {cb leu 198 B12.30} hotpink 52.003 49.775 20.493 {cg leu 198 B17.61} red 52.519 49.663 19.049 {cd1 leu 198 B26.57} orange 53.158 50.711 18.254 {cg leu 198 B17.61}P 52.519 49.663 19.049 {cd2 leu 198 B17.81} red 52.345 48.284 18.451 {ca ile 199 B9.70}P 50.102 54.091 19.614 {cb ile 199 B10.17} magenta 50.161 55.515 20.201 {cg1 ile 199 B9.38} magenta 49.761 55.467 21.703 {cd1 ile 199 B12.25} hotpink 50.123 56.746 22.457 {cb ile 199 B10.17}P 50.161 55.515 20.201 {cg2 ile 199 B12.93} hotpink 49.242 56.447 19.409 {ca lys 20 B11.65}P 49.477 53.534 15.913 {cb lys 20 B19.65} red 49.363 52.099 15.392 {cg lys 20 B30.33} orange 50.24 50.986 15.828 {cd lys 20 B35.78} gold 50.103 49.58 15.239 {ce lys 20 B44.48} yellow 48.824 48.839 15.613 {nz lys 20 B69.19} yellowtint 48.25 48.064 14.435 {ca ser 201 B10.38}P 47.163 55.435 13.556 {cb ser 201 B12.63} hotpink 47.037 56.897 14.026 {og ser 201 B13.43} hotpink 45.837 57.467 13.543 {ca pro 202 B12.61}P 46.625 55.417 9.799 {cb pro 202 B18.00} red 45.332 54.777 9.242 {cg pro 202 B17.42} red 44.306 55.08 10.301 {cd pro 202 B14.07} hotpink 45.059 54.795 11.577 {n pro 202 B11.65}P 46.436 55.247 11.252 {cd pro 202 B14.07} hotpink 45.059 54.795 11.577 {ca asp 203 B12.49}P 46.272 59.246 10.113 {cb asp 203 B14.18} hotpink 45.049 59.774 10.830 {cg asp 203 B15.49} hotpink 43.796 58.982 10.528 {od1 asp 203 B15.72} hotpink 43.498 58.745 9.327 {cg asp 203 B15.49}P 43.796 58.982 10.528 {od2 asp 203 B16.08} red 43.087 58.522 11.473 {ca ser 204 B11.81}P 48.655 62.176 10.272 {cb ser 204 B14.12} hotpink 48.685 63.296 9.236 {og ser 204 B17.41} red 49.118 62.766 8.000 {ca his 205 B8.72}P 46.744 63.377 13.284 {cb his 205 B10.40} magenta 45.739 64.514 12.998 {cg his 205 B10.54} magenta 46.337 65.549 12.114 {nd1 his 205 B11.32} hotpink 47.184 66.499 12.599 {ce1 his 205 B13.74} hotpink 47.567 67.242 11.571 {ne2 his 205 B11.97} hotpink 46.948 66.808 10.468 {ce1 his 205 B13.74} hotpink 47.567 67.242 11.571 {cg his 205 B10.54}P 46.337 65.549 12.114 {cd2 his 205 B12.94} hotpink 46.16 65.732 10.816 {ne2 his 205 B11.97} hotpink 46.948 66.808 10.468 {ce1 his 205 B13.74} hotpink 47.567 67.242 11.571 {ca pro 206 B8.92}P 46.295 60.621 15.915 {cb pro 206 B10.33} magenta 47.50 59.845 16.423 {cg pro 206 B16.21} red 48.67 60.614 16.018 {cd pro 206 B10.09} magenta 48.342 61.554 14.964 {n pro 206 B9.54}P 46.887 61.586 14.957 {cd pro 206 B10.09} magenta 48.342 61.554 14.964 {ca ala 207 B7.69}P 44.17 61.258 18.966 {cb ala 207 B7.70} purple 43.013 62.199 18.646 {ca asp 208 B6.55}P 43.577 61.359 21.911 {cb asp 208 B6.43} purple 42.275 61.724 22.633 {cg asp 208 B7.77} purple 41.404 62.573 21.689 {od1 asp 208 B8.69} magenta 41.575 63.808 21.747 {cg asp 208 B7.77}P 41.404 62.573 21.689 {od2 asp 208 B8.79} magenta 40.568 62.026 20.934 {ca ile 21 B7.35}P 46.893 57.416 27.140 {cb ile 21 B6.57} purple 47.875 56.283 26.818 {cg1 ile 21 B8.69} magenta 47.57 55.594 25.501 {cd1 ile 21 B10.19} magenta 48.571 54.52 25.110 {cb ile 21 B6.57}P 47.875 56.283 26.818 {cg2 ile 21 B9.06} magenta 47.935 55.224 27.953 {ca ala 211 B6.48}P 47.138 58.239 30.847 {cb ala 211 B7.90} purple 46.11 59.192 31.365 {ca phe 212 B6.67}P 48.278 56.538 33.991 {cb phe 212 B6.81} purple 49.744 56.286 34.400 {cg phe 212 B7.04} purple 49.877 55.784 35.848 {cd1 phe 212 B8.35} magenta 49.561 54.468 36.155 {ce1 phe 212 B10.33} magenta 49.681 53.996 37.463 {cz phe 212 B10.65} magenta 50.146 54.875 38.422 {cg phe 212 B7.04}P 49.877 55.784 35.848 {cd2 phe 212 B8.58} magenta 50.337 56.65 36.855 {ce2 phe 212 B10.43} magenta 50.441 56.16 38.135 {cz phe 212 B10.65} magenta 50.146 54.875 38.422 {ca phe 213 B7.48}P 45.997 57.593 36.776 {cb phe 213 B7.86} purple 44.624 58.003 36.213 {cg phe 213 B8.52} magenta 43.611 56.916 36.088 {cd1 phe 213 B8.55} magenta 43.584 56.05 35.021 {ce1 phe 213 B8.97} magenta 42.663 55.029 34.932 {cz phe 213 B10.76} magenta 41.707 54.869 35.929 {cg phe 213 B8.52}P 43.611 56.916 36.088 {cd2 phe 213 B9.47} magenta 42.663 56.725 37.070 {ce2 phe 213 B10.95} magenta 41.687 55.748 37.003 {cz phe 213 B10.76} magenta 41.707 54.869 35.929 {ca ile 214 B7.46}P 45.276 57.291 40.477 {cb ile 214 B8.55} magenta 46.391 57.743 41.417 {cg1 ile 214 B9.35} magenta 47.731 57.367 40.873 {cd1 ile 214 B20.60} red 48.874 57.746 41.703 {cb ile 214 B8.55}P 46.391 57.743 41.417 {cg2 ile 214 B10.00} magenta 46.112 57.162 42.813 {ca ser 215 B9.20}P 41.696 57.725 41.701 {cb ser 215 B10.38} magenta 40.767 57.254 40.554 {og aser 215 0.67B10.76} magenta 40.661 55.779 40.570 {cb ser 215 B10.38}P 40.767 57.254 40.554 {og bser 215 0.33B14.67} hotpink 39.703 58.276 40.477 {ca asn 216 B9.34}P 39.131 57.042 44.389 {cb asn 216 B10.50} magenta 37.822 57.782 44.576 {cg asn 216 B12.05} hotpink 37.099 58.188 43.331 {od1 asn 216 B14.99} hotpink 37.694 58.992 42.559 {cg asn 216 B12.05}P 37.099 58.188 43.331 {nd2 asn 216 B13.24} hotpink 35.889 57.673 43.083 {ca ile 217 B9.42}P 38.642 53.263 44.597 {cb ile 217 B10.33} magenta 38.649 52.425 45.897 {cg1 ile 217 B11.36} hotpink 37.412 52.644 46.752 {cd1 ile 217 B14.12} hotpink 37.351 51.598 47.880 {cb ile 217 B10.33}P 38.649 52.425 45.897 {cg2 ile 217 B11.35} hotpink 39.958 52.603 46.598 {ca asp 218 B11.14}P 35.162 53.40 43.039 {cb asp 218 B13.28} hotpink 33.938 53.662 43.938 {cg aasp 218 0.63B16.65} red 33.973 55.119 44.355 {od1aasp 218 0.63B13.81} hotpink 35.03 55.642 44.810 {cb asp 218 B13.28}P 33.938 53.662 43.938 {cg basp 218 0.37B16.93} red 33.892 54.855 44.820 {od1basp 218 0.37B14.50} hotpink 34.817 55.691 44.843 {cg basp 218 0.37B16.93}P 33.892 54.855 44.820 {od2basp 218 0.37B19.27} red 32.835 54.927 45.498 {cg aasp 218 0.63B16.65}P 33.973 55.119 44.355 {od2aasp 218 0.63B19.55} red 32.971 55.862 44.304 {ca ser 219 B10.40}P 36.217 55.496 40.020 {cb ser 219 B11.69} hotpink 37.636 55.947 39.761 {og ser 219 B12.15} hotpink 37.764 56.684 38.539 {ca ser 22 B10.58}P 34.372 54.95 36.786 {cb ser 22 B13.34} hotpink 32.855 54.654 37.042 {og ser 22 B18.72} red 32.121 55.769 37.409 {ca ile 221 B9.93}P 34.474 56.419 33.284 {cb ile 221 B10.72} magenta 34.388 55.649 31.983 {cg1 ile 221 B9.72} magenta 35.555 54.653 31.797 {cd1 ile 221 B11.58} hotpink 35.419 53.761 30.594 {cb ile 221 B10.72}P 34.388 55.649 31.983 {cg2 ile 221 B11.77} hotpink 34.366 56.643 30.793 {ca pro 222 B10.99}P 32.709 59.761 33.337 {cb pro 222 B12.12} hotpink 33.521 61.077 33.478 {cg pro 222 B11.52} hotpink 34.827 60.683 34.078 {cd pro 222 B10.83} magenta 35.091 59.324 33.534 {n pro 222 B11.08}P 33.736 58.739 33.337 {cd pro 222 B10.83} magenta 35.091 59.324 33.534 {ca ser 223 B13.95}P 29.795 60.302 30.909 {cb ser 223 B16.95} red 28.457 60.965 31.269 {og bser 223 0.69B19.92} red 27.625 60.877 30.100 {cb ser 223 B16.95}P 28.457 60.965 31.269 {og aser 223 0.31B18.99} red 27.725 60.156 32.143 {ca ser 225 B10.05}P 34.767 61.516 28.351 {cb ser 225 B9.43} magenta 35.235 61.048 29.742 {og ser 225 B9.71} magenta 35.022 59.675 29.989 {ca thr 226 B9.03}P 35.681 60.271 24.918 {cb thr 226 B10.10} magenta 34.703 59.974 23.767 {og1 thr 226 B9.87} magenta 33.701 60.996 23.716 {cb thr 226 B10.10}P 34.703 59.974 23.767 {cg2 thr 226 B11.25} hotpink 34.024 58.617 23.985 {ca arg 228 B7.32}P 39.995 65.181 24.678 {cb arg 228 B7.78} purple 39.80 66.667 24.373 {cg arg 228 B8.72} magenta 38.486 67.185 24.916 {cd arg 228 B9.97} magenta 38.311 68.639 24.668 {ne arg 228 B9.22} magenta 38.114 68.916 23.241 {cz arg 228 B11.79} hotpink 38.268 70.101 22.739 {nh1 arg 228 B14.44} hotpink 38.527 71.148 23.540 {cz arg 228 B11.79}P 38.268 70.101 22.739 {nh2 arg 228 B15.40} hotpink 38.197 70.265 21.458 {ca leu 229 B8.18}P 38.854 64.142 28.169 {cb leu 229 B9.29} magenta 37.377 64.263 28.585 {cg leu 229 B8.73} magenta 36.764 65.596 28.263 {cd1 leu 229 B11.57} hotpink 35.337 65.704 28.788 {cg leu 229 B8.73}P 36.764 65.596 28.263 {cd2 leu 229 B12.63} hotpink 37.593 66.787 28.772 {ca leu 23 B7.25}P 40.924 60.909 28.086 {cb leu 23 B8.14} magenta 42.193 61.479 28.672 {cg leu 23 B10.91} magenta 43.192 62.188 27.793 {cd1 leu 23 B12.79} hotpink 44.208 63.044 28.437 {cg leu 23 B10.91}P 43.192 62.188 27.793 {cd2 leu 23 B12.71} hotpink 43.48 61.693 26.446 {ca leu 232 B9.68}P 39.312 60.749 33.050 {cb leu 232 B9.56} magenta 40.699 61.303 33.067 {cg leu 232 B15.10} hotpink 41.90 60.44 32.967 {cd1 leu 232 B15.03} hotpink 43.172 61.096 32.702 {cg leu 232 B15.10}P 41.90 60.44 32.967 {cd2 leu 232 B14.47} hotpink 41.853 59.101 33.586 {ca phe 233 B9.11}P 37.195 63.92 33.450 {cb phe 233 B9.76} magenta 38.025 65.176 33.217 {cg phe 233 B10.93} magenta 39.388 65.09 33.889 {cd1 phe 233 B12.46} hotpink 39.445 65.309 35.263 {ce1 phe 233 B11.85} hotpink 40.677 65.213 35.921 {cz phe 233 B14.85} hotpink 41.834 64.939 35.257 {cg phe 233 B10.93}P 39.388 65.09 33.889 {cd2 phe 233 B13.23} hotpink 40.543 64.722 33.243 {ce2 phe 233 B13.06} hotpink 41.778 64.633 33.934 {cz phe 233 B14.85} hotpink 41.834 64.939 35.257 {ca pro 234 B12.21}P 33.541 64.851 33.015 {cb pro 234 B14.24} hotpink 32.646 65.04 34.261 {cg pro 234 B13.33} hotpink 33.58 65.554 35.291 {cd pro 234 B11.27} hotpink 34.966 64.942 35.019 {n pro 234 B11.59}P 34.883 64.667 33.548 {cd pro 234 B11.27} hotpink 34.966 64.942 35.019 {ca asp 235 B12.13}P 34.326 68.209 31.548 {cb asp 235 B15.17} hotpink 33.374 69.212 32.195 {cg asp 235 B15.88} hotpink 33.755 69.454 33.650 {od1 asp 235 B15.01} hotpink 34.938 69.734 33.930 {cg asp 235 B15.88}P 33.755 69.454 33.650 {od2 asp 235 B24.44} orange 32.789 69.407 34.429 {ca ala 236 B14.38}P 37.253 70.441 30.585 {cb ala 236 B18.32} red 37.368 70.951 29.140 {ca asn 237 B18.46}P 37.166 72.544 33.679 {cb asn 237 B21.71} red 36.114 72.516 34.716 {cg asn 237 B23.55} orange 34.825 73.17 34.287 {od1 asn 237 B32.12} gold 34.578 73.693 33.195 {cg asn 237 B23.55}P 34.825 73.17 34.287 {nd2 asn 237 B36.25} gold 33.797 73.148 35.104 @kinemage 3 @caption (similar to Fig. 18.20) Structure of a CCHC Zn finger - 8 NMR models superimposed. The main chain is in white, Zn in magenta, Cys ligands in yellow, and the His ligand in skyblue. (modified from file Summers.kin in Protein Science vol.1, issue 5, 1992) @thinline @zoom 1.0 @zslab 200 @center 0.259 1.076 -0.588 @matrix .689322 .096441 -.718007 .498078 .656613 .566372 .526074 -.748037 .404583 @2zoom 1.0 @2zslab 200 @2center 0.259 1.076 -0.588 @2matrix -.357244 .19124 -.914224 .878868 .40017 -.259721 .316175 -.896265 -.311032 @group {ZnF1 m1} dominant @vectorlist {main ch} color= white master= {main ch} {n val 1 m1} P -1.565 -6.893 4.397 {ca val 1 m1} -1.459 -5.525 4.896 {c val 1 m1} -0.301 -4.803 4.255 {o val 1 m1} 0.518 -5.355 3.667 {c val 1 m1} P -0.301 -4.803 4.255 {n lys 2 m1} -0.296 -3.523 4.416 {ca lys 2 m1} 0.837 -2.612 4.205 {c lys 2 m1} 1.206 -2.518 2.756 {o lys 2 m1} 1.218 -3.437 2.057 {c lys 2 m1} P 1.206 -2.518 2.756 {n cys 3 m1} 1.484 -1.33 2.332 {ca cys 3 m1} 1.562 -0.901 0.925 {c cys 3 m1} 2.857 -1.337 0.311 {o cys 3 m1} 3.842 -0.767 0.495 {c cys 3 m1} P 2.857 -1.337 0.311 {n phe 4 m1} 2.81 -2.39 -0.416 {ca phe 4 m1} 3.883 -3.074 -1.122 {c phe 4 m1} 4.951 -2.169 -1.645 {o phe 4 m1} 6.08 -2.433 -1.564 {c phe 4 m1} P 4.951 -2.169 -1.645 {n asn 5 m1} 4.548 -1.084 -2.199 {ca asn 5 m1} 5.384 -0.025 -2.792 {c asn 5 m1} 5.942 0.849 -1.728 {o asn 5 m1} 7.078 0.921 -1.493 {c asn 5 m1} P 5.942 0.849 -1.728 {n cys 6 m1} 5.084 1.594 -1.068 {ca cys 6 m1} 5.361 2.893 -0.461 {c cys 6 m1} 5.578 2.875 1.009 {o cys 6 m1} 5.882 3.849 1.565 {c cys 6 m1} P 5.578 2.875 1.009 {n gly 7 m1} 5.422 1.761 1.633 {ca gly 7 m1} 5.731 1.483 3.038 {c gly 7 m1} 4.56 1.717 3.949 {o gly 7 m1} 4.409 1.135 4.938 {c gly 7 m1} P 4.56 1.717 3.949 {n lys 8 m1} 3.735 2.651 3.577 {ca lys 8 m1} 2.842 3.412 4.467 {c lys 8 m1} 1.61 2.635 4.81 {o lys 8 m1} 0.887 2.249 3.998 {c lys 8 m1} P 1.61 2.635 4.81 {n glu 9 m1} 1.405 2.428 6.074 {ca glu 9 m1} 0.345 1.599 6.66 {c glu 9 m1} -1.006 2.218 6.426 {o glu 9 m1} -1.322 3.189 6.962 {c glu 9 m1} P -1.006 2.218 6.426 {n gly 10 m1} -1.775 1.597 5.595 {ca gly 10 m1} -3.072 2.056 5.107 {c gly 10 m1} -3.663 1.123 4.088 {o gly 10 m1} -4.652 0.547 4.26 {c gly 10 m1} P -3.663 1.123 4.088 {n his 11 m1} -3.02 1.042 2.967 {ca his 11 m1} -3.621 0.773 1.646 {c his 11 m1} -2.73 -0.086 0.806 {o his 11 m1} -1.601 -0.184 1.023 {c his 11 m1} P -2.73 -0.086 0.806 {n ile 12 m1} -3.297 -0.718 -0.183 {ca ile 12 m1} -2.643 -1.547 -1.175 {c ile 12 m1} -1.995 -0.709 -2.262 {o ile 12 m1} -2.284 0.378 -2.472 {c ile 12 m1} P -1.995 -0.709 -2.262 {n ala 13 m1} -1.062 -1.315 -2.918 {ca ala 13 m1} -0.039 -0.725 -3.773 {c ala 13 m1} -0.675 -0.142 -5.037 {o ala 13 m1} -0.279 0.81 -5.524 {c ala 13 m1} P -0.675 -0.142 -5.037 {n arg 14 m1} -1.537 -0.935 -5.579 {ca arg 14 m1} -1.743 -1.049 -7.052 {c arg 14 m1} -2.292 0.236 -7.579 {o arg 14 m1} -2.091 0.607 -8.651 {c arg 14 m1} P -2.292 0.236 -7.579 {n asn 15 m1} -3.013 0.913 -6.741 {ca asn 15 m1} -3.599 2.246 -6.956 {c asn 15 m1} -3.489 3.129 -5.74 {o asn 15 m1} -4.188 4.031 -5.543 {c asn 15 m1} P -3.489 3.129 -5.74 {n cys 16 m1} -2.49 2.886 -4.963 {ca cys 16 m1} -1.823 3.801 -4.027 {c cys 16 m1} -1.865 5.216 -4.525 {o cys 16 m1} -1.857 5.471 -5.65 {c cys 16 m1} P -1.865 5.216 -4.525 {n arg 17 m1} -1.908 6.129 -3.609 {ca arg 17 m1} -1.703 7.57 -3.808 {c arg 17 m1} -0.266 7.938 -3.534 {o arg 17 m1} 0.104 8.203 -2.479 {c arg 17 m1} P -0.266 7.938 -3.534 {n ala 18 m1} 0.51 7.931 -4.566 {ca ala 18 m1} 1.965 8.108 -4.567 {c ala 18 m1} 2.447 8.46 -5.967 {o ala 18 m1} 2.732 9.628 -6.26 @vectorlist {Cys} color= yellow master= {ligand sc} {ca cys 3} P 1.562 -0.901 0.925 {cb cys 3} 1.363 0.617 0.832 {sg cys 3} 1.211 1.244 -0.857 {ca cys 6} P 5.361 2.893 -0.461 {cb cys 6} 4.389 3.982 -0.926 {sg cys 6} 2.992 4.301 0.145 {ca cys 16} P -1.823 3.801 -4.027 {cb cys 16} -0.375 3.306 -3.816 {sg cys 16} 0.666 4.411 -2.867 @vectorlist {His} color= sky master= {ligand sc} {ca his 11} P -3.621 0.773 1.646 {cb his 11} -3.921 2.117 0.903 {cg his 11} -2.689 2.96 0.797 {nd1 his 11} -2.365 4.039 1.584 {ce1 his 11} -1.066 4.287 1.461 {ne2 his 11} -0.622 3.64 0.4 {cd2 his 11} -1.626 2.816 -0.049 {cg his 11} -2.689 2.96 0.797 @vectorlist {Zn} color=magenta master= {Zn} {Zn m1} P 1.037 3.548 -0.768 {} 1.037 3.548 -0.768 {} P U 0.037 3.548 -0.768 {} U 2.037 3.548 -0.768 {} P U 1.037 2.548 -0.768 {} U 1.037 4.548 -0.768 {} P U 1.037 3.548 -1.768 {} U 1.037 3.548 0.232 @group {ZnF1 m2} dominant @vectorlist {main ch} color= white master= {main ch} {n val 1 m2} P -2.364 -2.534 5.713 {ca val 1 m2} -1.594 -3.61 6.338 {c val 1 m2} -0.125 -3.458 6.043 {o val 1 m2} 0.684 -3.495 6.865 {c val 1 m2} P -0.125 -3.458 6.043 {n lys 2 m2} 0.169 -3.25 4.803 {ca lys 2 m2} 1.384 -2.58 4.298 {c lys 2 m2} 1.318 -2.421 2.811 {o lys 2 m2} 1.106 -3.316 2.111 {c lys 2 m2} P 1.318 -2.421 2.811 {n cys 3 m2} 1.489 -1.225 2.366 {ca cys 3 m2} 1.529 -0.811 0.952 {c cys 3 m2} 2.806 -1.259 0.309 {o cys 3 m2} 3.789 -0.668 0.423 {c cys 3 m2} P 2.806 -1.259 0.309 {n phe 4 m2} 2.75 -2.348 -0.362 {ca phe 4 m2} 3.816 -3.087 -1.02 {c phe 4 m2} 4.903 -2.238 -1.594 {o phe 4 m2} 6.017 -2.569 -1.575 {c phe 4 m2} P 4.903 -2.238 -1.594 {n asn 5 m2} 4.538 -1.124 -2.113 {ca asn 5 m2} 5.406 -0.086 -2.697 {c asn 5 m2} 5.936 0.814 -1.641 {o asn 5 m2} 7.062 0.866 -1.356 {c asn 5 m2} P 5.936 0.814 -1.641 {n cys 6 m2} 5.068 1.604 -1.052 {ca cys 6 m2} 5.354 2.91 -0.465 {c cys 6 m2} 5.59 2.901 1.003 {o cys 6 m2} 5.921 3.873 1.549 {c cys 6 m2} P 5.59 2.901 1.003 {n gly 7 m2} 5.422 1.794 1.635 {ca gly 7 m2} 5.743 1.519 3.038 {c gly 7 m2} 4.579 1.765 3.954 {o gly 7 m2} 4.425 1.179 4.94 {c gly 7 m2} P 4.579 1.765 3.954 {n lys 8 m2} 3.766 2.71 3.587 {ca lys 8 m2} 2.896 3.487 4.488 {c lys 8 m2} 1.651 2.723 4.834 {o lys 8 m2} 0.873 2.469 4.019 {c lys 8 m2} P 1.651 2.723 4.834 {n glu 9 m2} 1.528 2.372 6.079 {ca glu 9 m2} 0.408 1.594 6.619 {c glu 9 m2} -0.898 2.217 6.166 {o glu 9 m2} -1.145 3.318 6.391 {c glu 9 m2} P -0.898 2.217 6.166 {n gly 10 m2} -1.692 1.434 5.519 {ca gly 10 m2} -3.113 1.674 5.265 {c gly 10 m2} -3.635 0.845 4.128 {o gly 10 m2} -4.544 0.137 4.233 {c gly 10 m2} P -3.635 0.845 4.128 {n his 11 m2} -3.027 1.008 2.998 {ca his 11 m2} -3.626 0.826 1.663 {c his 11 m2} -2.738 -0.006 0.789 {o his 11 m2} -1.604 -0.083 0.977 {c his 11 m2} P -2.738 -0.006 0.789 {n ile 12 m2} -3.327 -0.633 -0.192 {ca ile 12 m2} -2.686 -1.477 -1.176 {c ile 12 m2} -2.038 -0.652 -2.276 {o ile 12 m2} -2.339 0.424 -2.514 {c ile 12 m2} P -2.038 -0.652 -2.276 {n ala 13 m2} -1.091 -1.263 -2.904 {ca ala 13 m2} -0.066 -0.684 -3.766 {c ala 13 m2} -0.698 -0.148 -5.051 {o ala 13 m2} -0.261 0.741 -5.614 {c ala 13 m2} P -0.698 -0.148 -5.051 {n arg 14 m2} -1.627 -0.916 -5.517 {ca arg 14 m2} -1.859 -1.144 -6.974 {c arg 14 m2} -2.35 0.116 -7.605 {o arg 14 m2} -2.16 0.375 -8.712 {c arg 14 m2} P -2.35 0.116 -7.605 {n asn 15 m2} -3.008 0.913 -6.818 {ca asn 15 m2} -3.456 2.276 -7.121 {c asn 15 m2} -3.377 3.181 -5.925 {o asn 15 m2} -4.111 4.061 -5.757 {c asn 15 m2} P -3.377 3.181 -5.925 {n cys 16 m2} -2.428 2.932 -5.093 {ca cys 16 m2} -1.856 3.821 -4.077 {c cys 16 m2} -1.936 5.263 -4.48 {o cys 16 m2} -2.391 6.068 -3.788 {c cys 16 m2} P -1.936 5.263 -4.48 {n arg 17 m2} -1.465 5.544 -5.648 {ca arg 17 m2} -1.287 6.884 -6.223 {c arg 17 m2} -0.166 7.614 -5.534 {o arg 17 m2} -0.361 8.403 -4.719 {c arg 17 m2} P -0.166 7.614 -5.534 {n ala 18 m2} 1.023 7.291 -5.919 {ca ala 18 m2} 2.286 7.707 -5.301 {c ala 18 m2} 3.362 7.868 -6.364 {o ala 18 m2} 3.398 7.113 -7.345 @vectorlist {C} color= yellow master= {ligand sc} {ca cys 3} P 1.529 -0.811 0.952 {cb cys 3} 1.326 0.702 0.843 {sg cys 3} 1.172 1.307 -0.86 {ca cys 6} P 5.354 2.91 -0.465 {cb cys 6} 4.381 4. -0.918 {sg cys 6} 2.998 4.323 0.177 {ca cys 16} P -1.856 3.821 -4.077 {cb cys 16} -0.401 3.382 -3.801 {sg cys 16} 0.55 4.54 -2.814 @vectorlist {H} color= sky master= {ligand sc} {ca his 11} P -3.626 0.826 1.663 {cb his 11} -3.909 2.198 0.975 {cg his 11} -2.668 3.025 0.868 {nd1 his 11} -2.308 4.068 1.688 {ce1 his 11} -1.015 4.321 1.526 {ne2 his 11} -0.606 3.7 0.438 {cd2 his 11} -1.634 2.906 -0.015 {cg his 11} -2.668 3.025 0.868 @vectorlist {Zn} color=magenta master= {Zn} {Zn m2} P 1.03 3.621 -0.763 {} 1.03 3.621 -0.763 {} P U 0.03 3.621 -0.763 {} U 2.03 3.621 -0.763 {} P U 1.03 2.621 -0.763 {} U 1.03 4.621 -0.763 {} P U 1.03 3.621 -1.763 {} U 1.03 3.621 0.237 @group {ZnF1 m3} dominant @vectorlist {main ch} color= white master= {main ch} {n val 1 m3} P -1.382 -2.747 6.182 {ca val 1 m3} -0.41 -3.721 6.669 {c val 1 m3} 0.983 -3.369 6.213 {o val 1 m3} 1.89 -3.423 6.919 {c val 1 m3} P 0.983 -3.369 6.213 {n lys 2 m3} 1.081 -2.991 4.983 {ca lys 2 m3} 2.222 -2.304 4.364 {c lys 2 m3} 2.057 -2.243 2.87 {o lys 2 m3} 2.297 -3.147 2.197 {c lys 2 m3} P 2.057 -2.243 2.87 {n cys 3 m3} 1.635 -1.119 2.4 {ca cys 3 m3} 1.53 -0.749 0.984 {c cys 3 m3} 2.788 -1.163 0.26 {o cys 3 m3} 3.729 -0.509 0.275 {c cys 3 m3} P 2.788 -1.163 0.26 {n phe 4 m3} 2.746 -2.294 -0.332 {ca phe 4 m3} 3.81 -3.035 -0.985 {c phe 4 m3} 4.878 -2.2 -1.616 {o phe 4 m3} 5.989 -2.541 -1.641 {c phe 4 m3} P 4.878 -2.2 -1.616 {n asn 5 m3} 4.499 -1.091 -2.129 {ca asn 5 m3} 5.352 -0.04 -2.714 {c asn 5 m3} 5.909 0.841 -1.658 {o asn 5 m3} 7.045 0.881 -1.398 {c asn 5 m3} P 5.909 0.841 -1.658 {n cys 6 m3} 5.065 1.628 -1.034 {ca cys 6 m3} 5.376 2.927 -0.441 {c cys 6 m3} 5.616 2.913 1.026 {o cys 6 m3} 5.97 3.878 1.569 {c cys 6 m3} P 5.616 2.913 1.026 {n gly 7 m3} 5.425 1.811 1.659 {ca gly 7 m3} 5.731 1.531 3.064 {c gly 7 m3} 4.562 1.792 3.969 {o gly 7 m3} 4.387 1.207 4.952 {c gly 7 m3} P 4.562 1.792 3.969 {n lys 8 m3} 3.769 2.749 3.593 {ca lys 8 m3} 2.886 3.528 4.48 {c lys 8 m3} 1.62 2.774 4.774 {o lys 8 m3} 0.784 2.699 3.984 {c lys 8 m3} P 1.62 2.774 4.774 {n glu 9 m3} 1.564 2.186 5.93 {ca glu 9 m3} 0.442 1.425 6.467 {c glu 9 m3} -0.884 2.061 6.106 {o glu 9 m3} -1.119 3.156 6.374 {c glu 9 m3} P -0.884 2.061 6.106 {n gly 10 m3} -1.712 1.307 5.464 {ca gly 10 m3} -3.137 1.562 5.27 {c gly 10 m3} -3.683 0.831 4.078 {o gly 10 m3} -4.602 0.131 4.139 {c gly 10 m3} P -3.683 0.831 4.078 {n his 11 m3} -3.076 1.065 2.963 {ca his 11 m3} -3.667 0.943 1.616 {c his 11 m3} -2.771 0.122 0.737 {o his 11 m3} -1.628 0.121 0.883 {c his 11 m3} P -2.771 0.122 0.737 {n ile 12 m3} -3.363 -0.587 -0.179 {ca ile 12 m3} -2.715 -1.482 -1.115 {c ile 12 m3} -2.088 -0.701 -2.261 {o ile 12 m3} -2.426 0.348 -2.562 {c ile 12 m3} P -2.088 -0.701 -2.261 {n ala 13 m3} -1.12 -1.319 -2.844 {ca ala 13 m3} -0.085 -0.742 -3.701 {c ala 13 m3} -0.715 -0.187 -4.975 {o ala 13 m3} -0.29 0.719 -5.524 {c ala 13 m3} P -0.715 -0.187 -4.975 {n arg 14 m3} -1.645 -0.946 -5.455 {ca arg 14 m3} -1.874 -1.157 -6.918 {c arg 14 m3} -2.447 0.069 -7.528 {o arg 14 m3} -2.305 0.335 -8.648 {c arg 14 m3} P -2.447 0.069 -7.528 {n asn 15 m3} -3.065 0.88 -6.719 {ca asn 15 m3} -3.548 2.225 -7.006 {c asn 15 m3} -3.283 3.225 -5.924 {o asn 15 m3} -3.897 4.211 -5.85 {c asn 15 m3} P -3.283 3.225 -5.924 {n cys 16 m3} -2.368 2.941 -5.074 {ca cys 16 m3} -1.696 3.831 -4.127 {c cys 16 m3} -1.618 5.244 -4.626 {o cys 16 m3} -1.295 5.501 -5.704 {c cys 16 m3} P -1.618 5.244 -4.626 {n arg 17 m3} -1.932 6.157 -3.766 {ca arg 17 m3} -1.644 7.594 -3.874 {c arg 17 m3} -0.402 7.942 -3.095 {o arg 17 m3} -0.444 8.331 -2.014 {c arg 17 m3} P -0.402 7.942 -3.095 {n ala 18 m3} 0.711 7.759 -3.724 {ca ala 18 m3} 2.057 7.765 -3.144 {c ala 18 m3} 2.614 9.181 -3.125 {o ala 18 m3} 2.125 10.041 -2.38 @vectorlist {C} color= yellow master= {ligand sc} {ca cys 3} P 1.53 -0.749 0.984 {cb cys 3} 1.308 0.764 0.859 {sg cys 3} 1.189 1.354 -0.85 {ca cys 6} P 5.376 2.927 -0.441 {cb cys 6} 4.42 4.034 -0.892 {sg cys 6} 3.027 4.359 0.192 {ca cys 16} P -1.696 3.831 -4.127 {cb cys 16} -0.281 3.266 -3.845 {sg cys 16} 0.798 4.389 -2.953 @vectorlist {H} color= sky master= {ligand sc} {ca his 11} P -3.667 0.943 1.616 {cb his 11} -3.906 2.339 0.968 {cg his 11} -2.633 3.121 0.869 {nd1 his 11} -2.232 4.124 1.715 {ce1 his 11} -0.945 4.374 1.511 {ne2 his 11} -0.566 3.752 0.414 {cd2 his 11} -1.613 2.979 -0.024 {cg his 11} -2.633 3.121 0.869 @vectorlist {Zn} color=magenta master= {Zn} {Zn m3} P 1.068 3.668 -0.786 {} 1.068 3.668 -0.786 {} P U 0.068 3.668 -0.786 {} U 2.068 3.668 -0.786 {} P U 1.068 2.668 -0.786 {} U 1.068 4.668 -0.786 {} P U 1.068 3.668 -1.786 {} U 1.068 3.668 0.214 @group {ZnF1 m4} dominant @vectorlist {main ch} color= white master= {main ch} {n val 1 m4} P -0.234 -6.162 5.928 {ca val 1 m4} -1.234 -5.197 5.479 {c val 1 m4} -0.639 -3.818 5.36 {o val 1 m4} -0.955 -2.951 6.046 {c val 1 m4} P -0.639 -3.818 5.36 {n lys 2 m4} 0.253 -3.683 4.435 {ca lys 2 m4} 1.125 -2.521 4.222 {c lys 2 m4} 1.494 -2.394 2.767 {o lys 2 m4} 1.704 -3.31 2.103 {c lys 2 m4} P 1.494 -2.394 2.767 {n cys 3 m4} 1.545 -1.184 2.324 {ca cys 3 m4} 1.541 -0.778 0.908 {c cys 3 m4} 2.803 -1.217 0.228 {o cys 3 m4} 3.776 -0.599 0.279 {c cys 3 m4} P 2.803 -1.217 0.228 {n phe 4 m4} 2.746 -2.325 -0.409 {ca phe 4 m4} 3.803 -3.068 -1.074 {c phe 4 m4} 4.873 -2.236 -1.699 {o phe 4 m4} 5.975 -2.606 -1.763 {c phe 4 m4} P 4.873 -2.236 -1.699 {n asn 5 m4} 4.516 -1.099 -2.163 {ca asn 5 m4} 5.385 -0.056 -2.737 {c asn 5 m4} 5.926 0.833 -1.682 {o asn 5 m4} 7.059 0.879 -1.408 {c asn 5 m4} P 5.926 0.833 -1.682 {n cys 6 m4} 5.074 1.622 -1.071 {ca cys 6 m4} 5.372 2.919 -0.471 {c cys 6 m4} 5.595 2.902 0.999 {o cys 6 m4} 5.929 3.869 1.552 {c cys 6 m4} P 5.595 2.902 0.999 {n gly 7 m4} 5.414 1.794 1.626 {ca gly 7 m4} 5.71 1.511 3.032 {c gly 7 m4} 4.53 1.741 3.93 {o gly 7 m4} 4.366 1.141 4.907 {c gly 7 m4} P 4.53 1.741 3.93 {n lys 8 m4} 3.708 2.676 3.562 {ca lys 8 m4} 2.75 3.377 4.418 {c lys 8 m4} 1.556 2.522 4.742 {o lys 8 m4} 1.012 1.865 3.971 {c lys 8 m4} P 1.556 2.522 4.742 {n glu 9 m4} 1.185 2.549 5.99 {ca glu 9 m4} 0.418 1.517 6.705 {c glu 9 m4} -1.05 1.818 6.675 {o glu 9 m4} -1.598 2.358 7.535 {c glu 9 m4} P -1.05 1.818 6.675 {n gly 10 m4} -1.673 1.443 5.599 {ca gly 10 m4} -3.001 1.888 5.167 {c gly 10 m4} -3.549 1.027 4.063 {o gly 10 m4} -4.426 0.293 4.217 {c gly 10 m4} P -3.549 1.027 4.063 {n his 11 m4} -2.993 1.196 2.909 {ca his 11 m4} -3.614 0.93 1.597 {c his 11 m4} -2.724 0.054 0.766 {o his 11 m4} -1.594 -0.037 0.983 {c his 11 m4} P -2.724 0.054 0.766 {n ile 12 m4} -3.298 -0.597 -0.204 {ca ile 12 m4} -2.65 -1.452 -1.174 {c ile 12 m4} -1.974 -0.648 -2.268 {o ile 12 m4} -2.242 0.438 -2.507 {c ile 12 m4} P -1.974 -0.648 -2.268 {n ala 13 m4} -1.044 -1.285 -2.895 {ca ala 13 m4} 0.001 -0.731 -3.751 {c ala 13 m4} -0.632 -0.153 -5.02 {o ala 13 m4} -0.231 0.784 -5.521 {c ala 13 m4} P -0.632 -0.153 -5.02 {n arg 14 m4} -1.522 -0.939 -5.528 {ca arg 14 m4} -1.753 -1.067 -7.002 {c arg 14 m4} -2.326 0.213 -7.514 {o arg 14 m4} -2.132 0.608 -8.577 {c arg 14 m4} P -2.326 0.213 -7.514 {n asn 15 m4} -3.066 0.862 -6.669 {ca asn 15 m4} -3.675 2.188 -6.854 {c asn 15 m4} -3.509 3.063 -5.634 {o asn 15 m4} -4.21 3.946 -5.376 {c asn 15 m4} P -3.509 3.063 -5.634 {n cys 16 m4} -2.444 2.839 -4.937 {ca cys 16 m4} -1.676 3.819 -4.141 {c cys 16 m4} -1.636 5.131 -4.87 {o cys 16 m4} -1.746 5.195 -6.021 {c cys 16 m4} P -1.636 5.131 -4.87 {n arg 17 m4} -1.443 6.178 -4.139 {ca arg 17 m4} -1.033 7.505 -4.615 {c arg 17 m4} 0.467 7.636 -4.61 {o arg 17 m4} 1.025 8.21 -3.786 {c arg 17 m4} P 0.467 7.636 -4.61 {n ala 18 m4} 1.074 7.066 -5.597 {ca ala 18 m4} 2.518 7.016 -5.83 {c ala 18 m4} 2.838 5.999 -6.917 {o ala 18 m4} 2.07 5.056 -7.142 @vectorlist {C} color= yellow master= {ligand sc} {ca cys 3} P 1.541 -0.778 0.908 {cb cys 3} 1.331 0.734 0.796 {sg cys 3} 1.202 1.341 -0.902 {ca cys 6} P 5.372 2.919 -0.471 {cb cys 6} 4.421 4.026 -0.928 {sg cys 6} 3.016 4.358 0.136 {ca cys 16} P -1.676 3.819 -4.141 {cb cys 16} -0.257 3.252 -3.917 {sg cys 16} 0.861 4.339 -3.035 @vectorlist {H} color= sky master= {ligand sc} {ca his 11} P -3.614 0.93 1.597 {cb his 11} -3.91 2.259 0.836 {cg his 11} -2.681 3.101 0.705 {nd1 his 11} -2.358 4.195 1.47 {ce1 his 11} -1.071 4.472 1.308 {ne2 his 11} -0.621 3.783 0.278 {cd2 his 11} -1.628 2.95 -0.151 {cg his 11} -2.681 3.101 0.705 @vectorlist {Zn} color=magenta master= {Zn} {Zn m4} P 1.064 3.651 -0.844 {} 1.064 3.651 -0.844 {} P U 0.064 3.651 -0.844 {} U 2.064 3.651 -0.844 {} P U 1.064 2.651 -0.844 {} U 1.064 4.651 -0.844 {} P U 1.064 3.651 -1.844 {} U 1.064 3.651 0.156 @group {ZnF1 m5} dominant @vectorlist {main ch} color= white master= {main ch} {n val 1 m5} P -2.314 -2.98 5.658 {ca val 1 m5} -0.931 -3.419 5.826 {c val 1 m5} 0.012 -2.564 5.02 {o val 1 m5} -0.354 -1.662 4.409 {c val 1 m5} P 0.012 -2.564 5.02 {n lys 2 m5} 1.252 -2.917 5.069 {ca lys 2 m5} 2.362 -2.318 4.317 {c lys 2 m5} 2.057 -2.288 2.845 {o lys 2 m5} 2.149 -3.227 2.184 {c lys 2 m5} P 2.057 -2.288 2.845 {n cys 3 m5} 1.689 -1.144 2.377 {ca cys 3 m5} 1.583 -0.777 0.957 {c cys 3 m5} 2.837 -1.189 0.231 {o cys 3 m5} 3.785 -0.543 0.252 {c cys 3 m5} P 2.837 -1.189 0.231 {n phe 4 m5} 2.791 -2.313 -0.375 {ca phe 4 m5} 3.858 -3.056 -1.024 {c phe 4 m5} 4.911 -2.219 -1.674 {o phe 4 m5} 6.019 -2.568 -1.731 {c phe 4 m5} P 4.911 -2.219 -1.674 {n asn 5 m5} 4.528 -1.102 -2.166 {ca asn 5 m5} 5.374 -0.043 -2.744 {c asn 5 m5} 5.923 0.843 -1.687 {o asn 5 m5} 7.059 0.898 -1.431 {c asn 5 m5} P 5.923 0.843 -1.687 {n cys 6 m5} 5.072 1.621 -1.06 {ca cys 6 m5} 5.364 2.926 -0.474 {c cys 6 m5} 5.596 2.924 0.995 {o cys 6 m5} 5.922 3.901 1.535 {c cys 6 m5} P 5.596 2.924 0.995 {n gly 7 m5} 5.431 1.822 1.633 {ca gly 7 m5} 5.748 1.553 3.038 {c gly 7 m5} 4.574 1.773 3.945 {o gly 7 m5} 4.426 1.177 4.926 {c gly 7 m5} P 4.574 1.773 3.945 {n lys 8 m5} 3.737 2.693 3.572 {ca lys 8 m5} 2.77 3.382 4.438 {c lys 8 m5} 1.563 2.529 4.701 {o lys 8 m5} 0.961 2.011 3.867 {c lys 8 m5} P 1.563 2.529 4.701 {n glu 9 m5} 1.25 2.387 5.954 {ca glu 9 m5} 0.438 1.309 6.542 {c glu 9 m5} -1.007 1.708 6.601 {o glu 9 m5} -1.461 2.306 7.479 {c glu 9 m5} P -1.007 1.708 6.601 {n gly 10 m5} -1.718 1.365 5.572 {ca gly 10 m5} -2.995 1.959 5.162 {c gly 10 m5} -3.643 1.166 4.062 {o gly 10 m5} -4.608 0.556 4.221 {c gly 10 m5} P -3.643 1.166 4.062 {n his 11 m5} -3.055 1.236 2.917 {ca his 11 m5} -3.672 0.969 1.604 {c his 11 m5} -2.77 0.095 0.78 {o his 11 m5} -1.638 0.034 0.993 {c his 11 m5} P -2.77 0.095 0.78 {n ile 12 m5} -3.339 -0.578 -0.176 {ca ile 12 m5} -2.677 -1.455 -1.12 {c ile 12 m5} -2.042 -0.672 -2.254 {o ile 12 m5} -2.36 0.388 -2.541 {c ile 12 m5} P -2.042 -0.672 -2.254 {n ala 13 m5} -1.084 -1.295 -2.853 {ca ala 13 m5} -0.058 -0.732 -3.728 {c ala 13 m5} -0.703 -0.205 -5.01 {o ala 13 m5} -0.284 0.694 -5.571 {c ala 13 m5} P -0.703 -0.205 -5.01 {n arg 14 m5} -1.62 -0.99 -5.465 {ca arg 14 m5} -1.875 -1.196 -6.929 {c arg 14 m5} -2.302 0.113 -7.519 {o arg 14 m5} -2.04 0.433 -8.592 {c arg 14 m5} P -2.302 0.113 -7.519 {n asn 15 m5} -2.989 0.868 -6.723 {ca asn 15 m5} -3.517 2.214 -7.015 {c asn 15 m5} -3.402 3.137 -5.828 {o asn 15 m5} -4.088 4.055 -5.66 {c asn 15 m5} P -3.402 3.137 -5.828 {n cys 16 m5} -2.408 2.904 -5.04 {ca cys 16 m5} -1.748 3.83 -4.11 {c cys 16 m5} -1.77 5.237 -4.63 {o cys 16 m5} -1.709 5.474 -5.756 {c cys 16 m5} P -1.77 5.237 -4.63 {n arg 17 m5} -1.862 6.16 -3.732 {ca arg 17 m5} -1.756 7.608 -3.948 {c arg 17 m5} -0.334 8.07 -3.791 {o arg 17 m5} -0.013 8.792 -2.955 {c arg 17 m5} P -0.334 8.07 -3.791 {n ala 18 m5} 0.5 7.599 -4.658 {ca ala 18 m5} 1.919 7.936 -4.784 {c ala 18 m5} 2.267 8.208 -6.241 {o ala 18 m5} 1.446 8.75 -6.993 @vectorlist {C} color= yellow master= {ligand sc} {ca cys 3} P 1.583 -0.777 0.957 {cb cys 3} 1.337 0.729 0.829 {sg cys 3} 1.184 1.327 -0.871 {ca cys 6} P 5.364 2.926 -0.474 {cb cys 6} 4.395 4.019 -0.929 {sg cys 6} 3.011 4.341 0.169 {ca cys 16} P -1.748 3.83 -4.11 {cb cys 16} -0.31 3.329 -3.86 {sg cys 16} 0.724 4.457 -2.921 @vectorlist {H} color= sky master= {ligand sc} {ca his 11} P -3.672 0.969 1.604 {cb his 11} -3.955 2.297 0.833 {cg his 11} -2.714 3.127 0.717 {nd1 his 11} -2.392 4.228 1.477 {ce1 his 11} -1.086 4.454 1.369 {ne2 his 11} -0.635 3.773 0.334 {cd2 his 11} -1.64 2.947 -0.106 {cg his 11} -2.714 3.127 0.717 @vectorlist {Zn} color=magenta master= {Zn} {Zn m5} P 1.048 3.643 -0.795 {} 1.048 3.643 -0.795 {} P U 0.048 3.643 -0.795 {} U 2.048 3.643 -0.795 {} P U 1.048 2.643 -0.795 {} U 1.048 4.643 -0.795 {} P U 1.048 3.643 -1.795 {} U 1.048 3.643 0.205 @group {ZnF1 m6} dominant @vectorlist {main ch} color= white master= {main ch} {n val 1 m6} P -1.916 -6.598 4.703 {ca val 1 m6} -1.99 -5.144 4.831 {c val 1 m6} -0.645 -4.51 4.59 {o val 1 m6} 0.314 -5.137 4.495 {c val 1 m6} P -0.645 -4.51 4.59 {n lys 2 m6} -0.646 -3.224 4.498 {ca lys 2 m6} 0.502 -2.354 4.252 {c lys 2 m6} 0.924 -2.384 2.81 {o lys 2 m6} 0.83 -3.323 2.154 {c lys 2 m6} P 0.924 -2.384 2.81 {n cys 3 m6} 1.388 -1.267 2.363 {ca cys 3 m6} 1.571 -0.903 0.943 {c cys 3 m6} 2.89 -1.389 0.435 {o cys 3 m6} 3.887 -0.918 0.772 {c cys 3 m6} P 2.89 -1.389 0.435 {n phe 4 m6} 2.849 -2.369 -0.39 {ca phe 4 m6} 3.941 -2.965 -1.154 {c phe 4 m6} 4.978 -1.973 -1.575 {o phe 4 m6} 6.105 -2.103 -1.326 {c phe 4 m6} P 4.978 -1.973 -1.575 {n asn 5 m6} 4.541 -0.961 -2.237 {ca asn 5 m6} 5.353 0.081 -2.894 {c asn 5 m6} 5.977 0.956 -1.863 {o asn 5 m6} 7.122 1.082 -1.75 {c asn 5 m6} P 5.977 0.956 -1.863 {n cys 6 m6} 5.156 1.62 -1.081 {ca cys 6 m6} 5.438 2.876 -0.399 {c cys 6 m6} 5.64 2.801 1.068 {o cys 6 m6} 5.975 3.75 1.656 {c cys 6 m6} P 5.64 2.801 1.068 {n gly 7 m6} 5.445 1.677 1.661 {ca gly 7 m6} 5.716 1.352 3.064 {c gly 7 m6} 4.535 1.59 3.958 {o gly 7 m6} 4.348 0.985 4.928 {c gly 7 m6} P 4.535 1.59 3.958 {n lys 8 m6} 3.737 2.552 3.602 {ca lys 8 m6} 2.834 3.301 4.475 {c lys 8 m6} 1.588 2.527 4.815 {o lys 8 m6} 1.015 1.881 4.06 {c lys 8 m6} P 1.588 2.527 4.815 {n glu 9 m6} 1.207 2.625 6.058 {ca glu 9 m6} 0.34 1.689 6.786 {c glu 9 m6} -1.102 2.079 6.661 {o glu 9 m6} -1.628 2.777 7.419 {c glu 9 m6} P -1.102 2.079 6.661 {n gly 10 m6} -1.728 1.594 5.632 {ca gly 10 m6} -2.986 2.095 5.075 {c gly 10 m6} -3.581 1.153 4.068 {o gly 10 m6} -4.552 0.555 4.258 {c gly 10 m6} P -3.581 1.153 4.068 {n his 11 m6} -2.963 1.094 2.934 {ca his 11 m6} -3.579 0.806 1.622 {c his 11 m6} -2.701 -0.089 0.803 {o his 11 m6} -1.577 -0.209 1.035 {c his 11 m6} P -2.701 -0.089 0.803 {n ile 12 m6} -3.276 -0.722 -0.18 {ca ile 12 m6} -2.628 -1.562 -1.167 {c ile 12 m6} -2.004 -0.732 -2.275 {o ile 12 m6} -2.317 0.346 -2.5 {c ile 12 m6} P -2.004 -0.732 -2.275 {n ala 13 m6} -1.07 -1.333 -2.931 {ca ala 13 m6} -0.066 -0.739 -3.807 {c ala 13 m6} -0.723 -0.189 -5.075 {o ala 13 m6} -0.299 0.718 -5.621 {c ala 13 m6} P -0.723 -0.189 -5.075 {n arg 14 m6} -1.634 -0.969 -5.55 {ca arg 14 m6} -1.889 -1.146 -7.012 {c arg 14 m6} -2.382 0.142 -7.587 {o arg 14 m6} -2.196 0.45 -8.681 {c arg 14 m6} P -2.382 0.142 -7.587 {n asn 15 m6} -3.038 0.895 -6.763 {ca asn 15 m6} -3.581 2.242 -7.033 {c asn 15 m6} -3.451 3.154 -5.84 {o asn 15 m6} -4.141 4.065 -5.649 {c asn 15 m6} P -3.451 3.154 -5.84 {n cys 16 m6} -2.441 2.924 -5.073 {ca cys 16 m6} -1.796 3.825 -4.111 {c cys 16 m6} -1.859 5.255 -4.553 {o cys 16 m6} -1.846 5.555 -5.666 {c cys 16 m6} P -1.859 5.255 -4.553 {n arg 17 m6} -1.927 6.129 -3.603 {ca arg 17 m6} -1.831 7.586 -3.741 {c arg 17 m6} -0.427 8.058 -3.477 {o arg 17 m6} -0.152 8.652 -2.53 {c arg 17 m6} P -0.427 8.058 -3.477 {n ala 18 m6} 0.439 7.752 -4.383 {ca ala 18 m6} 1.859 8.114 -4.396 {c ala 18 m6} 2.303 8.442 -5.814 {o ala 18 m6} 2.288 9.61 -6.224 @vectorlist {C} color= yellow master= {ligand sc} {ca cys 3} P 1.571 -0.903 0.943 {cb cys 3} 1.405 0.614 0.79 {sg cys 3} 1.277 1.194 -0.917 {ca cys 6} P 5.438 2.876 -0.399 {cb cys 6} 4.475 3.992 -0.831 {sg cys 6} 3.03 4.225 0.2 {ca cys 16} P -1.796 3.825 -4.111 {cb cys 16} -0.341 3.351 -3.894 {sg cys 16} 0.668 4.461 -2.911 @vectorlist {H} color= sky master= {ligand sc} {ca his 11} P -3.579 0.806 1.622 {cb his 11} -3.85 2.138 0.849 {cg his 11} -2.6 2.953 0.724 {nd1 his 11} -2.244 4.019 1.514 {ce1 his 11} -0.945 4.253 1.36 {ne2 his 11} -0.531 3.599 0.292 {cd2 his 11} -1.557 2.793 -0.141 {cg his 11} -2.6 2.953 0.724 @vectorlist {Zn} color=magenta master= {Zn} {Zn m6} P 1.13 3.508 -0.87 {} 1.13 3.508 -0.87 {} P U 0.13 3.508 -0.87 {} U 2.13 3.508 -0.87 {} P U 1.13 2.508 -0.87 {} U 1.13 4.508 -0.87 {} P U 1.13 3.508 -1.87 {} U 1.13 3.508 0.13 @group {ZnF1 m7} dominant @vectorlist {main ch} color= white master= {main ch} {n val 1 m7} P -3.803 -3.995 6.315 {ca val 1 m7} -2.754 -4.222 5.324 {c val 1 m7} -1.828 -3.037 5.233 {o val 1 m7} -1.972 -2.094 5.876 {c val 1 m7} P -1.828 -3.037 5.233 {n lys 2 m7} -0.86 -3.156 4.387 {ca lys 2 m7} 0.296 -2.272 4.24 {c lys 2 m7} 0.843 -2.338 2.833 {o lys 2 m7} 0.82 -3.295 2.2 {c lys 2 m7} P 0.843 -2.338 2.833 {n cys 3 m7} 1.315 -1.223 2.39 {ca cys 3 m7} 1.501 -0.858 0.971 {c cys 3 m7} 2.819 -1.346 0.465 {o cys 3 m7} 3.816 -0.857 0.777 {c cys 3 m7} P 2.819 -1.346 0.465 {n phe 4 m7} 2.777 -2.351 -0.333 {ca phe 4 m7} 3.868 -2.99 -1.059 {c phe 4 m7} 4.931 -2.033 -1.498 {o phe 4 m7} 6.055 -2.196 -1.259 {c phe 4 m7} P 4.931 -2.033 -1.498 {n asn 5 m7} 4.517 -1.015 -2.165 {ca asn 5 m7} 5.351 0.016 -2.811 {c asn 5 m7} 5.937 0.909 -1.773 {o asn 5 m7} 7.077 1.003 -1.59 {c asn 5 m7} P 5.937 0.909 -1.773 {n cys 6 m7} 5.089 1.628 -1.074 {ca cys 6 m7} 5.374 2.907 -0.432 {c cys 6 m7} 5.611 2.846 1.033 {o cys 6 m7} 5.954 3.796 1.609 {c cys 6 m7} P 5.611 2.846 1.033 {n gly 7 m7} 5.432 1.721 1.63 {ca gly 7 m7} 5.738 1.403 3.028 {c gly 7 m7} 4.574 1.643 3.944 {o gly 7 m7} 4.406 1.04 4.918 {c gly 7 m7} P 4.574 1.643 3.944 {n lys 8 m7} 3.776 2.609 3.598 {ca lys 8 m7} 2.923 3.386 4.514 {c lys 8 m7} 1.673 2.635 4.87 {o lys 8 m7} 0.904 2.347 4.058 {c lys 8 m7} P 1.673 2.635 4.87 {n glu 9 m7} 1.535 2.317 6.124 {ca glu 9 m7} 0.352 1.698 6.721 {c glu 9 m7} -0.907 2.337 6.176 {o glu 9 m7} -1.144 3.45 6.35 {c glu 9 m7} P -0.907 2.337 6.176 {n gly 10 m7} -1.682 1.559 5.491 {ca gly 10 m7} -3.094 1.8 5.2 {c gly 10 m7} -3.616 0.92 4.103 {o gly 10 m7} -4.527 0.219 4.236 {c gly 10 m7} P -3.616 0.92 4.103 {n his 11 m7} -3.008 1.032 2.967 {ca his 11 m7} -3.615 0.81 1.639 {c his 11 m7} -2.732 -0.048 0.785 {o his 11 m7} -1.601 -0.148 0.995 {c his 11 m7} P -2.732 -0.048 0.785 {n ile 12 m7} -3.313 -0.67 -0.2 {ca ile 12 m7} -2.67 -1.512 -1.188 {c ile 12 m7} -2.022 -0.687 -2.285 {o ile 12 m7} -2.317 0.395 -2.512 {c ile 12 m7} P -2.022 -0.687 -2.285 {n ala 13 m7} -1.086 -1.299 -2.926 {ca ala 13 m7} -0.06 -0.719 -3.787 {c ala 13 m7} -0.694 -0.159 -5.063 {o ala 13 m7} -0.28 0.766 -5.583 {c ala 13 m7} P -0.694 -0.159 -5.063 {n arg 14 m7} -1.58 -0.948 -5.571 {ca arg 14 m7} -1.8 -1.109 -7.04 {c arg 14 m7} -2.307 0.179 -7.605 {o arg 14 m7} -2.092 0.517 -8.685 {c arg 14 m7} P -2.307 0.179 -7.605 {n asn 15 m7} -3.01 0.896 -6.787 {ca asn 15 m7} -3.573 2.235 -7.041 {c asn 15 m7} -3.472 3.133 -5.834 {o asn 15 m7} -4.175 4.034 -5.645 {c asn 15 m7} P -3.472 3.133 -5.834 {n cys 16 m7} -2.474 2.902 -5.052 {ca cys 16 m7} -1.838 3.81 -4.09 {c cys 16 m7} -1.894 5.235 -4.558 {o cys 16 m7} -1.84 5.519 -5.674 {c cys 16 m7} P -1.894 5.235 -4.558 {n arg 17 m7} -2.003 6.122 -3.625 {ca arg 17 m7} -1.871 7.575 -3.777 {c arg 17 m7} -0.449 8.011 -3.549 {o arg 17 m7} -0.137 8.621 -2.625 {c arg 17 m7} P -0.449 8.011 -3.549 {n ala 18 m7} 0.391 7.652 -4.461 {ca ala 18 m7} 1.805 8.03 -4.548 {c ala 18 m7} 2.178 8.331 -5.992 {o ala 18 m7} 1.313 8.351 -6.878 @vectorlist {C} color= yellow master= {ligand sc} {ca cys 3} P 1.501 -0.858 0.971 {cb cys 3} 1.347 0.664 0.828 {sg cys 3} 1.217 1.245 -0.88 {ca cys 6} P 5.374 2.907 -0.432 {cb cys 6} 4.403 4.011 -0.858 {sg cys 6} 2.986 4.274 0.208 {ca cys 16} P -1.838 3.81 -4.09 {cb cys 16} -0.388 3.337 -3.853 {sg cys 16} 0.618 4.464 -2.887 @vectorlist {H} color= sky master= {ligand sc} {ca his 11} P -3.615 0.81 1.639 {cb his 11} -3.888 2.17 0.919 {cg his 11} -2.639 2.987 0.815 {nd1 his 11} -2.268 4.026 1.637 {ce1 his 11} -0.961 4.234 1.502 {ne2 his 11} -0.563 3.628 0.4 {cd2 his 11} -1.598 2.849 -0.059 {cg his 11} -2.639 2.987 0.815 @vectorlist {Zn} color=magenta master= {Zn} {Zn m7} P 1.06 3.56 -0.82 {} 1.06 3.56 -0.82 {} P U 0.06 3.56 -0.82 {} U 2.06 3.56 -0.82 {} P U 1.06 2.56 -0.82 {} U 1.06 4.56 -0.82 {} P U 1.06 3.56 -1.82 {} U 1.06 3.56 0.18 @group {ZnF1 m8} dominant @vectorlist {main ch} color= white master= {main ch} {n val 1 m8} P -1.285 -6.564 3.719 {ca val 1 m8} -1.267 -5.636 4.85 {c val 1 m8} -0.048 -4.757 4.806 {o val 1 m8} 1.006 -5.172 5.009 {c val 1 m8} P -0.048 -4.757 4.806 {n lys 2 m8} -0.254 -3.518 4.519 {ca lys 2 m8} 0.731 -2.473 4.276 {c lys 2 m8} 1.196 -2.457 2.845 {o lys 2 m8} 1.29 -3.407 2.207 {c lys 2 m8} P 1.196 -2.457 2.845 {n cys 3 m8} 1.47 -1.282 2.383 {ca cys 3 m8} 1.602 -0.91 0.963 {c cys 3 m8} 2.923 -1.359 0.423 {o cys 3 m8} 3.913 -0.858 0.733 {c cys 3 m8} P 2.923 -1.359 0.423 {n phe 4 m8} 2.886 -2.347 -0.394 {ca phe 4 m8} 4.005 -2.985 -1.089 {c phe 4 m8} 5.023 -2.009 -1.578 {o phe 4 m8} 6.162 -2.157 -1.392 {c phe 4 m8} P 5.023 -2.009 -1.578 {n asn 5 m8} 4.569 -0.996 -2.223 {ca asn 5 m8} 5.362 0.066 -2.872 {c asn 5 m8} 5.967 0.945 -1.833 {o asn 5 m8} 7.113 1.058 -1.69 {c asn 5 m8} P 5.967 0.945 -1.833 {n cys 6 m8} 5.134 1.629 -1.082 {ca cys 6 m8} 5.41 2.902 -0.432 {c cys 6 m8} 5.619 2.858 1.038 {o cys 6 m8} 5.925 3.825 1.609 {c cys 6 m8} P 5.619 2.858 1.038 {n gly 7 m8} 5.46 1.738 1.647 {ca gly 7 m8} 5.754 1.439 3.05 {c gly 7 m8} 4.574 1.646 3.952 {o gly 7 m8} 4.419 1.042 4.928 {c gly 7 m8} P 4.574 1.646 3.952 {n lys 8 m8} 3.735 2.571 3.59 {ca lys 8 m8} 2.788 3.272 4.459 {c lys 8 m8} 1.591 2.426 4.797 {o lys 8 m8} 1.057 1.756 4.033 {c lys 8 m8} P 1.591 2.426 4.797 {n glu 9 m8} 1.207 2.498 6.038 {ca glu 9 m8} 0.305 1.569 6.733 {c glu 9 m8} -1.121 2.023 6.623 {o glu 9 m8} -1.609 2.739 7.386 {c glu 9 m8} P -1.121 2.023 6.623 {n gly 10 m8} -1.768 1.577 5.591 {ca gly 10 m8} -3.006 2.136 5.04 {c gly 10 m8} -3.631 1.228 4.021 {o gly 10 m8} -4.622 0.665 4.207 {c gly 10 m8} P -3.631 1.228 4.021 {n his 11 m8} -3.007 1.152 2.892 {ca his 11 m8} -3.616 0.841 1.583 {c his 11 m8} -2.724 -0.064 0.789 {o his 11 m8} -1.6 -0.165 1.027 {c his 11 m8} P -2.724 -0.064 0.789 {n ile 12 m8} -3.29 -0.728 -0.178 {ca ile 12 m8} -2.625 -1.574 -1.148 {c ile 12 m8} -2.021 -0.751 -2.272 {o ile 12 m8} -2.363 0.312 -2.521 {c ile 12 m8} P -2.021 -0.751 -2.272 {n ala 13 m8} -1.067 -1.341 -2.909 {ca ala 13 m8} -0.075 -0.736 -3.793 {c ala 13 m8} -0.752 -0.184 -5.046 {o ala 13 m8} -0.347 0.726 -5.605 {c ala 13 m8} P -0.752 -0.184 -5.046 {n arg 14 m8} -1.693 -0.947 -5.494 {ca arg 14 m8} -1.964 -1.156 -6.948 {c arg 14 m8} -2.451 0.121 -7.548 {o arg 14 m8} -2.273 0.399 -8.652 {c arg 14 m8} P -2.451 0.121 -7.548 {n asn 15 m8} -3.094 0.909 -6.736 {ca asn 15 m8} -3.54 2.276 -7.012 {c asn 15 m8} -3.388 3.193 -5.835 {o asn 15 m8} -4.064 4.122 -5.671 {c asn 15 m8} P -3.388 3.193 -5.835 {n cys 16 m8} -2.44 2.91 -5.014 {ca cys 16 m8} -1.737 3.818 -4.094 {c cys 16 m8} -1.73 5.223 -4.606 {o cys 16 m8} -1.659 5.46 -5.736 {c cys 16 m8} P -1.73 5.223 -4.606 {n arg 17 m8} -1.808 6.152 -3.712 {ca arg 17 m8} -1.962 7.592 -3.955 {c arg 17 m8} -0.664 8.317 -3.736 {o arg 17 m8} -0.596 9.299 -3.141 {c arg 17 m8} P -0.664 8.317 -3.736 {n ala 18 m8} 0.372 7.77 -4.285 {ca ala 18 m8} 1.767 8.195 -4.144 {c ala 18 m8} 2.234 8.892 -5.413 {o ala 18 m8} 3.133 8.403 -6.11 @vectorlist {C} color= yellow master= {ligand sc} {ca cys 3} P 1.602 -0.91 0.963 {cb cys 3} 1.403 0.607 0.813 {sg cys 3} 1.272 1.184 -0.894 {ca cys 6} P 5.41 2.902 -0.432 {cb cys 6} 4.443 4.009 -0.873 {sg cys 6} 3.006 4.247 0.174 {ca cys 16} P -1.737 3.818 -4.094 {cb cys 16} -0.297 3.269 -3.915 {sg cys 16} 0.8 4.333 -2.988 @vectorlist {H} color= sky master= {ligand sc} {ca his 11} P -3.616 0.841 1.583 {cb his 11} -3.895 2.151 0.779 {cg his 11} -2.652 2.978 0.652 {nd1 his 11} -2.33 4.087 1.399 {ce1 his 11} -1.026 4.317 1.28 {ne2 his 11} -0.576 3.624 0.253 {cd2 his 11} -1.579 2.786 -0.172 {cg his 11} -2.652 2.978 0.652 @vectorlist {Zn} color=magenta master= {Zn} {Zn m8} P 1.11 3.493 -0.868 {} 1.11 3.493 -0.868 {} P U 0.11 3.493 -0.868 {} U 2.11 3.493 -0.868 {} P U 1.11 2.493 -0.868 {} U 1.11 4.493 -0.868 {} P U 1.11 3.493 -1.868 {} U 1.11 3.493 0.132