@text SSCORE HAIRPIN PROTEIN ASSORTMENT: SS BETA CROSSES Best classic cases, compared with older approximately-classic Superimposed are the following sets - A. (classic examples): bitter-gourd and squash trypsin inhibitors, potent toxin, scorpion toxin v3, 9WGAd1, TGF beta, gonadotropin, cellobiohydrolase, co-lipase d1 and d2; B. (approximate examples): cbh, 3wga, eti, charybdotoxin, platelet-der. growth factor, scyllatoxin, Bowman-Birk inhibitor d2, w-agatoxin, PCI (4CPA), beta NGF. All are centered around their disulfide beta-cross cores (superimposed on SScorin design). Coordinates from Brookhaven Databank files 1MCTi, 3CTI, 1PTX, 2SN3, 9WGAd1, 1TGI, 1HCNa, 1CBH, 1LPBad1, 1LPAd2; 3WGAd1, 2ETI, 2CRD, 1PDGa, 1SCYm1, 1TABi, 1PI2d2, 1OAV, 4CPA, 1BET @kinemage 1 @caption Superimposed are the following sets - A. (classic examples): bitter-gourd and squash trypsin inhibitors, potent toxin, scorpion toxin v3, 9WGAd1, TGF beta, gonadotropin, cellobiohydrolase, co-lipase d1 and d2; B. 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1.78 1.777 <1.112>{val 23 hn} P U 0.148 0.495 0.699 {his 26 o} 0.007 1.203 -0.381 <2.112>{his 26 hn} P U 2.263 2.348 -1.208 {val 23 o} 2.517 0.854 -0.92 <2.112>{gly 28 hn} P U -3.39 -0.134 -0.166 {ile 21 o} -2.812 0.245 1.072 @subgroup {CTI inhib} dominant @balllist {s} color= orange radius= 0.25 master= {S balls} {sg cys 10}0.25 4.402 0.783 {sg cys 22}1.152 4.11 2.568 {sg cys 16}-3.947 4.344 1.5 {sg cys 28}-3.983 4.689 -0.49 @vectorlist {ss} color= gold master= {SS} {ca cys 10}P -0.082 7.237 0.717 {cb cys 10}-0.757 5.894 0.986 {sg cys 10}0.25 4.402 0.783 {sg cys 22}1.152 4.11 2.568 {cb cys 22}0.004 3.036 3.466 {ca cys 22}-0.502 1.766 2.746 {ca cys 16}P -6.251 5.888 2.158 {cb cys 16}-5.686 4.477 1.976 {sg cys 16}-3.947 4.344 1.5 {sg cys 28}-3.983 4.689 -0.49 {cb cys 28}-4.028 3.036 -1.222 {ca cys 28}-2.705 2.226 -1.198 @vectorlist {mc} color= white master= {main ch} {ca glu 9}P 0.322 7.644 -3.095 {ca cys 10}-0.082 7.237 0.717 {ca lys 11}1.932 8.421 3.777 {ca asp 15}P -4.257 8.605 4.007 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gly 26}4.111 3.935 -0.833 {c gly 26}2.804 4.206 -1.602 {o gly 26}2.549 5.335 -1.981 {c gly 26}P 2.804 4.206 -1.602 {n tyr 27}2.006 3.192 -1.841 {ca tyr 27}0.701 3.361 -2.578 {c tyr 27}-0.386 2.571 -1.835 {o tyr 27}-0.074 1.6 -1.17 {c tyr 27}P -0.386 2.571 -1.835 {n cys 28}-1.629 2.994 -1.918 {ca cys 28}-2.705 2.226 -1.198 {c cys 28}-2.929 0.875 -1.907 {o cys 28}-2.807 0.82 -3.115 {c cys 28}P -2.929 0.875 -1.907 {n gly 29}-3.255 -0.189 -1.199 {ca gly 29}-3.471 -1.495 -1.912 {c gly 29}-3.762 -2.594 -0.888 {o gly 29}-3.912 -3.718 -1.336 {c gly 29}P -3.762 -2.594 -0.888 {oxt gly 29}-3.807 -2.247 0.28 @vectorlist {hb} color= brown master= {Hbonds} off <2.100>{cys 20 hn} P U -9.358 0.929 2.925 {leu 17 o} -9.62 2.47 2.429 <2.100>{leu 23 hn} P U 0.513 0.589 0.705 {tyr 27 o} 0.102 1.297 -0.607 <2.100>{gly 26 hn} P U 4.56 1.833 -0.396 {leu 23 o} 3.805 1.35 0.863 <2.100>{gly 29 hn} P U -3.349 -0.095 -0.208 {val 21 o} -2.882 0.309 1.126 @subgroup {potent tox} dominant @vectorlist {mc} color= white 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39}7.609 -2.014 -2.391 {c ala 39}P 7.086 -0.921 -2.161 {n ser 40}5.898 -0.624 -2.733 {ca ser 40}5.322 -1.487 -3.773 {c ser 40}6.197 -1.166 -5.026 {o ser 40}7.029 -0.248 -4.996 {c ser 40}P 6.197 -1.166 -5.026 {n pro 41}5.918 -1.858 -6.098 {ca pro 41}6.664 -1.588 -7.358 {c pro 41}6.412 -0.178 -7.858 {o pro 41}7.169 0.319 -8.739 {c pro 41}P 6.412 -0.178 -7.858 {n tyr 42}5.399 0.483 -7.338 {ca tyr 42}5.009 1.845 -7.73 {c tyr 42}5.343 2.853 -6.667 {o tyr 42}4.874 4.002 -6.728 {c tyr 42}P 5.343 2.853 -6.667 {n gly 43}6.183 2.484 -5.706 {ca gly 43}6.503 3.35 -4.562 {c gly 43}5.4 3.109 -3.485 {o gly 43}4.682 2.096 -3.57 {c gly 43}P 5.4 3.109 -3.485 {n asn 44}5.279 3.988 -2.552 {ca asn 44}4.185 3.811 -1.531 {c asn 44}2.845 3.94 -2.297 {o asn 44}2.67 4.952 -3.009 {c asn 44}P 2.845 3.94 -2.297 {n ala 45}1.937 3.002 -2.088 {ca ala 45}0.634 3.082 -2.806 {c ala 45}-0.439 2.412 -1.963 {o ala 45}-0.19 1.361 -1.312 {c ala 45}P -0.439 2.412 -1.963 {n cys 46}-1.648 2.982 -2.036 {ca cys 46}-2.759 2.349 -1.286 {c cys 46}-3.197 1.073 -1.969 {o cys 46}-3.332 0.975 -3.213 {c cys 46}P -3.197 1.073 -1.969 {n tyr 47}-3.488 0.05 -1.179 {ca tyr 47}-4.004 -1.239 -1.599 {c tyr 47}-5.364 -1.454 -0.879 {o tyr 47}-5.442 -1.174 0.338 {c tyr 47}P -5.364 -1.454 -0.879 {n cys 48}-6.368 -1.82 -1.63 {ca cys 48}-7.723 -1.968 -1.047 @vectorlist {hb} color= brown master= {Hbonds} off <1.142>{tyr 35 hn} P U -4.799 -0.602 2.134 {tyr 47 o} -5.249 -1.002 0.877 <1.142>{gln 37 hn} P U 0.042 0.658 0.495 {ala 45 o} -0.12 1.15 -0.77 <2.142>{ala 45 hn} P U 2.145 2.259 -1.452 {gln 37 o} 2.878 1.28 -0.685 <1.142>{tyr 47 hn} P U -3.337 0.179 -0.199 {tyr 35 o} -3.014 0.444 1.107 @balllist {s} color= orange radius= 0.25 master= {S balls} {sg cys 16}0.258 4.53 0.705 {sg cys 36}1.231 3.93 2.388 {sg cys 22}-3.138 4.067 1.504 {sg cys 46}-3.765 4.785 -0.277 @vectorlist {ss} color= gold master= {SS} {ca cys 16}P 0.473 7.33 0.932 {cb cys 16}-0.488 6.153 1.162 {sg cys 16}0.258 4.53 0.705 {sg cys 36}1.231 3.93 2.388 {cb cys 36}-0.068 3.068 3.358 {ca cys 36}-0.599 1.87 2.639 {ca cys 22}P -5.661 4.458 2.554 {cb cys 22}-4.639 3.371 2.298 {sg cys 22}-3.138 4.067 1.504 {sg cys 46}-3.765 4.785 -0.277 {cb cys 46}-3.955 3.303 -1.28 {ca cys 46}-2.759 2.349 -1.286 @subgroup {scorp tox3} dominant @vectorlist {mc} color= white master= {main ch} {ca gly 15}P 0.439 7.657 -3.016 {ca cys 16}0.618 7.466 0.784 {ca leu 17}3.298 8.26 3.345 {ca gly 24}P -6.823 7.858 3.657 {ca cys 25}-6.134 4.512 1.923 {ca asp 26}-8.949 2.768 3.848 {ca gly 39}P -7.299 -0.622 2.612 {c gly 39}-6.212 -0.101 3.559 {o gly 39}-6.552 0.212 4.733 {c gly 39}P -6.212 -0.101 3.559 {n tyr 40}-5. -0.092 3.065 {ca tyr 40}-3.858 0.3 3.894 {c tyr 40}-2.768 0.724 2.97 {o tyr 40}-2.884 0.563 1.687 {c tyr 40}P -2.768 0.724 2.97 {n cys 41}-1.669 1.293 3.465 {ca cys 41}-0.576 1.822 2.672 {c cys 41}0.477 0.742 2.662 {o cys 41}1.06 0.327 3.683 {c cys 41}P 0.477 0.742 2.662 {n tyr 42}0.877 0.283 1.435 {ca tyr 42}1.948 -0.684 1.267 {c tyr 42}2.938 -0.208 0.188 {o tyr 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4.152 2.781 {sg cys 19}-3.405 3.73 2.071 {sg cys 35}-3.058 4.553 0.258 @vectorlist {ss} color= gold master= {SS} {ca cys 8}P -0.075 7.558 0.709 {cb cys 8}-0.591 6.403 1.532 {sg cys 8}-0.019 4.741 1.114 {sg cys 25}0.968 4.152 2.781 {cb cys 25}-0.194 3.039 3.611 {ca cys 25}-0.71 1.861 2.795 {ca cys 19}P -5.777 5.234 2.511 {cb cys 19}-5.197 3.864 2.291 {sg cys 19}-3.405 3.73 2.071 {sg cys 35}-3.058 4.553 0.258 {cb cys 35}-3.495 3.261 -0.918 {ca cys 35}-2.475 2.149 -1.168 @vectorlist {hb} color= brown master= {Hbonds} off <1.884>{thr 24 hn} P U -4.849 -0.486 1.577 {leu 36 o} -4.577 -1.344 0.764 <1.884>{gln 26 hn} P U 0.671 1.358 0.76 {gln 34 o} 0.362 1.571 -0.44 <2.884>{gln 34 hn} P U 2.873 2.258 -2.36 {gln 26 o} 3.072 1.341 -1.087 <2.112>{leu 36 hn} P U -2.533 -0.28 -0.393 {thr 24 o} -2.646 0.312 0.957 @subgroup {colipase 1} dominant @vectorlist {mc} color= white master= {main ch} {ca leu a 16}P 1.004 7.165 -3.092 {ca cys a 17}0.624 7.447 0.654 {ca leu a 18}2.596 8.115 3.785 {ca gln a 22}P -5.043 8.26 3.939 {ca cys a 23}-6.221 5.129 2.087 {ca lys a 24}-9.866 4.151 1.595 {ca cys a 27}P -3.521 -0.227 3.894 {c cys a 27}-2.601 0.536 2.954 {o cys a 27}-2.828 0.559 1.747 {c cys a 27}P -2.601 0.536 2.954 {n cys a 28}-1.645 1.266 3.509 {ca cys a 28}-0.676 1.952 2.672 {c cys a 28}0.362 0.852 2.627 {o cys a 28}0.805 0.389 3.675 {c cys a 28}P 0.362 0.852 2.627 {n gln a 29}0.783 0.439 1.445 {ca gln a 29}1.691 -0.69 1.384 {c gln a 29}2.901 -0.479 0.497 {o gln a 29}2.894 0.372 -0.387 {c gln a 29}P 2.901 -0.479 0.497 {n his a 30}3.963 -1.216 0.785 {ca his a 30}5.157 -1.181 -0.036 {ca ser a 37}P 4.189 2.993 -0.768 {c ser a 37}2.911 3.614 -1.297 {o ser a 37}2.779 4.836 -1.331 {c ser a 37}P 2.911 3.614 -1.297 {n arg a 38}1.992 2.776 -1.767 {ca arg a 38}0.728 3.253 -2.313 {c arg a 38}-0.432 2.494 -1.687 {o arg a 38}-0.236 1.486 -1.023 {c arg a 38}P -0.432 2.494 -1.687 {n cys a 39}-1.645 2.975 -1.868 {ca cys a 39}-2.77 2.296 -1.274 {c cys a 39}-3.015 0.965 -1.949 {o cys a 39}-3.009 0.874 -3.178 {c cys a 39}P -3.015 0.965 -1.949 {n ala a 40}-3.219 -0.074 -1.144 {ca ala a 40}-3.467 -1.411 -1.674 {c ala a 40}-4.681 -2.029 -0.997 {o ala a 40}-5.077 -1.602 0.078 {c ala a 40}P -4.681 -2.029 -0.997 {n leu a 41}-5.311 -2.998 -1.65 {ca leu a 41}-6.472 -3.671 -1.053 @vectorlist {hb} color= brown master= {Hbonds} off <1.019>{gln 29 hn} P U 0.501 0.875 0.613 {arg 38 o} -0.015 1.303 -0.532 <2.019>{arg 38 hn} P U 2.139 1.803 -1.735 {gln 29 o} 2.668 0.801 -0.791 <2.019>{ala 40 hn} P U -3.208 0.044 -0.168 {cys 27 o} -2.942 0.405 1.173 @balllist {s} color= orange radius= 0.25 master= {S balls} {sg cys a 17}-0.086 4.778 0.759 {sg cys a 28}1.068 4.113 2.286 {sg cys a 23}-3.591 4.389 1.45 {sg cys a 39}-3.731 4.785 -0.544 @vectorlist {ss} color= gold master= {SS} {ca cys a 17}P 0.624 7.447 0.654 {cb cys a 17}-0.478 6.502 1.124 {sg cys a 17}-0.086 4.778 0.759 {sg cys a 28}1.068 4.113 2.286 {cb cys a 28}-0.113 3.21 3.349 {ca cys a 28}-0.676 1.952 2.672 {ca cys a 23}P -6.221 5.129 2.087 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1.573 {c glu a 70}3.193 -0.079 1.165 {o glu a 70}3.377 0.363 0.024 {c glu a 70}P 3.193 -0.079 1.165 {n gly a 71}4.087 -0.151 2.143 {ca gly a 71}5.47 0.309 2.009 {ca gly a 85}P 3.582 3.578 0.295 {c gly a 85}2.572 3.785 -0.813 {o gly a 85}2.49 4.89 -1.349 {c gly a 85}P 2.572 3.785 -0.813 {n ile a 86}1.803 2.783 -1.211 {ca ile a 86}0.818 2.911 -2.278 {c ile a 86}-0.454 2.289 -1.709 {o ile a 86}-0.322 1.227 -1.074 {c ile a 86}P -0.454 2.289 -1.709 {n cys a 87}-1.671 2.791 -1.918 {ca cys a 87}-2.791 2.186 -1.232 {c cys a 87}-3.257 0.888 -1.823 {o cys a 87}-3.852 0.902 -2.894 {c cys a 87}P -3.257 0.888 -1.823 {n his a 88}-2.987 -0.259 -1.219 {ca his a 88}-3.396 -1.53 -1.757 {c his a 88}-4.534 -2.025 -0.954 {o his a 88}-4.695 -1.57 0.159 {c his a 88}P -4.534 -2.025 -0.954 {n asn a 89}-5.4 -2.866 -1.505 {ca asn a 89}-6.549 -3.412 -0.776 @vectorlist {hb} color= brown master= {Hbonds} off <1.748>{thr 68 hn} P U -4.744 -0.581 1.6 {his 88 o} U -4.71 -1.273 0.591 <2.031>{glu 70 hn} P U 0.264 0.445 0.706 {ile 86 o} U -0.146 0.992 -0.54 <2.264>{ile 86 hn} P U 1.907 1.899 -0.755 {glu 70 o} U 2.936 0.824 -0.21 <1.827>{his 88 hn} P U -2.48 -0.248 -0.357 {thr 68 o} U -2.242 -0.109 0.892 @balllist {s} color= orange radius= 0.25 master= {S balls} {sg cys a 49}0.165 4.844 0.955 {sg cys a 69}0.996 4.261 2.683 {sg cys a 63}-3.668 4.231 1.685 {sg cys a 87}-3.601 4.604 -0.277 @vectorlist {ss} color= gold master= {SS} {ca cys a 49}P 0.205 7.457 0.884 {cb cys a 49}-0.777 6.383 1.184 {sg cys a 49}0.165 4.844 0.955 {sg cys a 69}0.996 4.261 2.683 {cb cys a 69}-0.39 3.294 3.35 {ca cys a 69}-0.651 1.996 2.578 {ca cys a 63}P -5.723 5.824 2.477 {cb cys a 63}-5.401 4.39 2.138 {sg cys a 63}-3.668 4.231 1.685 {sg cys a 87}-3.601 4.604 -0.277 {cb cys a 87}-3.961 3.1 -1.205 {ca cys a 87}-2.791 2.186 -1.232 @group {approx} animate @subgroup {CBH} dominant @vectorlist {mc} color= white master= {main ch} {ca gln 7}P 0.028 7.45 -3.073 {ca cys 8}-0.075 7.558 0.709 {ca gly 9}3.667 7.887 1.256 {ca val 18}P -4.546 7.708 5.13 {ca cys 19}P -5.777 5.234 2.511 {ca ala 20}-9.493 5.045 1.753 {ca ser 21}-11.44 2.494 3.817 {ca gly 22}-10.91 -1.121 2.77 {ca thr 23}-7.321 -0.348 1.71 {c thr 23}-6.315 -0.019 2.808 {o thr 23}-6.674 0.374 3.9 {c thr 23}P -6.315 -0.019 2.808 {n thr 24}-5.074 -0.187 2.478 {ca thr 24}-3.993 0.094 3.459 {c thr 24}-2.794 0.675 2.734 {o thr 24}-2.694 0.565 1.536 {c thr 24}P -2.794 0.675 2.734 {n cys 25}-1.899 1.268 3.466 {ca cys 25}-0.71 1.861 2.795 {c cys 25}0.396 0.82 2.651 {o cys 25}0.711 0.109 3.586 {c cys 25}P 0.396 0.82 2.651 {n gln 26}0.963 0.759 1.474 {ca gln 26}2.049 -0.226 1.221 {c gln 26}3.244 0.461 0.569 {o gln 26}3.158 0.948 -0.541 {c gln 26}P 3.244 0.461 0.569 {n val 27}4.334 0.492 1.279 {ca val 27}5.545 1.142 0.722 {c val 27}5.978 0.429 -0.548 {o val 27}6.24 -0.758 -0.53 {c val 27}P 5.978 0.429 -0.548 {n leu 28}6.052 1.158 -1.63 {ca leu 28}6.492 0.509 -2.879 {c leu 28}8.031 0.571 -2.883 {o leu 28}8.704 -0.439 -2.854 {c leu 28}P 8.031 0.571 -2.883 {n asn 29}8.544 1.791 -2.922 {ca asn 29}10.04 1.996 -2.847 {c asn 29}10.32 3.223 -1.948 {o asn 29}9.394 3.87 -1.5 {c asn 29}P 10.32 3.223 -1.948 {n pro 30}11.598 3.538 -1.694 {ca pro 30}11.934 4.699 -0.852 {c pro 30}11.577 6.023 -1.548 {o pro 30}12.155 7.053 -1.261 {c pro 30}P 11.577 6.023 -1.548 {n tyr 31}10.634 5.962 -2.447 {ca tyr 31}10.211 7.192 -3.159 {c tyr 31}8.754 7.064 -3.595 {o tyr 31}8.267 7.86 -4.375 {c tyr 31}P 8.754 7.064 -3.595 {n tyr 32}8.083 6.067 -3.086 {ca tyr 32}6.672 5.869 -3.493 {c tyr 32}5.988 4.816 -2.631 {o tyr 32}6.518 3.741 -2.43 {c tyr 32}P 5.988 4.816 -2.631 {n ser 33}4.829 5.148 -2.133 {ca ser 33}4.064 4.163 -1.332 {c ser 33}2.635 4.155 -1.796 {o ser 33}1.913 5.135 -1.632 {c ser 33}P 2.635 4.155 -1.796 {n gln 34}2.245 3.038 -2.334 {ca gln 34}0.864 2.924 -2.895 {c gln 34}-0.141 2.352 -1.88 {o gln 34}0.229 1.662 -0.954 {c gln 34}P -0.141 2.352 -1.88 {n cys 35}-1.409 2.658 -2.096 {ca cys 35}-2.475 2.149 -1.168 {c cys 35}-3.21 0.967 -1.798 {o cys 35}-3.916 1.14 -2.766 {c cys 35}P -3.21 0.967 -1.798 {n leu 36}-3.066 -0.201 -1.211 {ca leu 36}-3.741 -1.41 -1.788 {c leu 36}-4.473 -2.194 -0.696 {o leu 36}-4.46 -1.711 0.416 {c leu 36}P -4.473 -2.194 -0.696 {oxt leu 36}-4.998 -3.239 -1.042 @balllist {s} color= gold radius= 0.25 master= {S balls} {sg cys 8}-0.019 4.741 1.114 {sg cys 25}0.968 4.152 2.781 {sg cys 19}-3.405 3.73 2.071 {sg cys 35}-3.058 4.553 0.258 @vectorlist {ss} color= yellow master= {SS} {ca cys 8}P -0.075 7.558 0.709 {cb cys 8}-0.591 6.403 1.532 {sg cys 8}-0.019 4.741 1.114 {sg cys 25}0.968 4.152 2.781 {cb cys 25}-0.194 3.039 3.611 {ca cys 25}-0.71 1.861 2.795 {ca cys 19}P -5.777 5.234 2.511 {cb cys 19}-5.197 3.864 2.291 {sg cys 19}-3.405 3.73 2.071 {sg cys 35}-3.058 4.553 0.258 {cb cys 35}-3.495 3.261 -0.918 {ca cys 35}-2.475 2.149 -1.168 @vectorlist {hb} color= brown master= {Hbonds} off <1.884>{thr 24 hn} P U -4.849 -0.486 1.577 {leu 36 o} -4.577 -1.344 0.764 <1.884>{gln 26 hn} P U 0.671 1.358 0.76 {gln 34 o} 0.362 1.571 -0.44 <2.884>{gln 34 hn} P U 2.873 2.258 -2.36 {gln 26 o} 3.072 1.341 -1.087 <2.112>{leu 36 hn} P U -2.533 -0.28 -0.393 {thr 24 o} -2.646 0.312 0.957 @subgroup {3WGAd1} dominant @vectorlist {mc} color= white master= {main ch} { ca arg a 2 }P 0.623, 8.752, -2.499 { ca cys a 3 } L 0.229, 7.642, 1.134 { ca gly a 4 } L 2.333, 7.379, 4.276 { ca glu a 11 }P -4.293, 7.859, 4.380 { ca cys a 12 } L -6.124, 5.606, 1.918 { ca pro a 13 } L -9.945, 5.654, 1.697 { ca asn a 14 } L -11.992, 2.770, 3.141 { ca asn a 15 } L -9.217, 1.545, 5.399 { ca leu a 16 } L -6.978, 0.434, 2.485 { c leu a 16 } L -5.661, 0.742, 3.174 { o leu a 16 } L -5.417, 1.724, 3.895 { c leu a 16 } P -5.661, 0.742, 3.174 { n cys a 17 } L -4.826, -0.268, 3.081 { ca cys a 17 } L -3.482, -0.290, 3.644 { c cys a 17 } L -2.510, 0.405, 2.669 { o cys a 17 } L -2.615, 0.211, 1.448 { c cys a 17 } P -2.510, 0.405, 2.669 { n cys a 18 } L -1.697, 1.156, 3.351 { ca cys a 18 } L -0.621, 1.872, 2.565 { c cys a 18 } L 0.609, 0.982, 2.653 { o cys a 18 } L 1.097, 0.905, 3.807 { c cys a 18 } P 0.609, 0.982, 2.653 { n ser a 19 } L 1.076, 0.425, 1.547 { ca ser a 19 } L 2.296, -0.400, 1.624 { c ser a 19 } L 3.490, 0.432, 2.059 { o ser a 19 } L 3.556, 1.646, 2.290 { c ser a 19 } P 3.490, 0.432, 2.059 { n gln a 20 } L 4.572, -0.342, 2.170 { ca gln a 20 } L 5.871, 0.250, 2.562 { c gln a 20 } L 6.384, 1.198, 1.466 { o gln a 20 } L 7.230, 2.068, 1.827 { c gln a 20 } P 6.384, 1.198, 1.466 { n tyr a 21 } L 5.828, 1.092, 0.295 { ca tyr a 21 } L 6.280, 1.945, -0.840 { c tyr a 21 } L 5.470, 3.209, -0.974 { o tyr a 21 } L 5.943, 4.083, -1.720 { c tyr a 21 } P 5.470, 3.209, -0.974 { n gly a 22 } L 4.375, 3.340, -0.226 { ca gly a 22 } L 3.570, 4.545, -0.325 { c gly a 22 } L 2.406, 4.374, -1.287 { o gly a 22 } L 1.873, 5.415, -1.699 { c gly a 22 } P 2.406, 4.374, -1.287 { n tyr a 23 } L 1.941, 3.203, -1.621 { ca tyr a 23 } L 0.799, 2.908, -2.441 { c tyr a 23 } L -0.337, 2.239, -1.591 { o tyr a 23 } L -0.050, 1.337, -0.776 { c tyr a 23 } P -0.337, 2.239, -1.591 { n cys a 24 } L -1.556, 2.597, -1.990 { ca cys a 24 } L -2.810, 2.093, -1.414 { c cys a 24 } L -3.361, 0.812, -2.061 { o cys a 24 } L -3.610, 0.783, -3.282 { c cys a 24 } P -3.361, 0.812, -2.061 { n gly a 25 } L -3.666, -0.215, -1.247 { ca gly a 25 } L -4.287, -1.426, -1.833 { c gly a 25 } L -4.737, -2.377, -0.733 { o gly a 25 } L -4.813, -1.964, 0.424 { c gly a 25 } P -4.737, -2.377, -0.733 { n met a 26 } L -4.903, -3.608, -1.164 { ca met a 26 } L -5.378, -4.645, -0.214 @balllist {s} color= gold radius= 0.25 master= {S balls} { sg cys a 3 } L -0.256, 4.797, 0.886 { sg cys a 18 } L 0.769, 4.207, 2.508 { sg cys a 12 } L -3.890, 3.988, 1.328 { sg cys a 24 } L -3.855, 4.615, -0.623 @vectorlist {ss} color= yellow master= {SS} {ca cys a 3 } P 0.229, 7.642, 1.134 {cb cys a 3 } L -0.741, 6.476, 1.218 { sg cys a 3 } L -0.256, 4.797, 0.886 { sg cys a 18 } L 0.769, 4.207, 2.508 {cb cys a 18 } L -0.387, 3.148, 3.366 {ca cys a 18 } L -0.621, 1.872, 2.565 {ca cys a 12 } P -6.124, 5.606, 1.918 {cb cys a 12 } L -5.636, 4.179, 1.772 { sg cys a 12 } L -3.890, 3.988, 1.328 { sg cys a 24 } L -3.855, 4.615, -0.623 {cb cys a 24 } L -3.950, 3.120, -1.562 {ca cys a 24 } L -2.810, 2.093, -1.414 @vectorlist {hb} color= brown master= {Hbonds} off @subgroup {2ETI} dominant @vectorlist {mc} color= white master= {main ch} { ca arg 8 }P -0.627, 7.950, -2.41 { ca cys 9 } L 0.536, 6.936, 1.030 { ca lys 10 } L 2.869, 7.168, 3.741 { ca asp 14 }P -3.724, 8.657, 2.817 { ca cys 15 } L -6.595, 6.329, 1.719 { ca leu 16 } L -10.254, 5.342, 2.038 { ca ala 17 } L -10.798, 2.616, 4.673 { ca gly 18 } L -10.858, -1.023, 3.774 { ca cys 19 } L -7.352, -0.007, 2.583 { c cys 19 } L -6.186, 0.197, 3.541 { o cys 19 } L -6.269, 1.038, 4.434 { c cys 19 } P -6.186, 0.197, 3.541 { n val 20 } L -5.075, -0.517, 3.335 { ca val 20 } L -3.836, -0.373, 4.069 { c val 20 } L -2.784, 0.005, 3.037 { o val 20 } L -2.868, -0.460, 1.902 { c val 20 } P -2.784, 0.005, 3.037 { n cys 21 } L -1.805, 0.834, 3.410 { ca cys 21 } L -0.775, 1.233, 2.473 { c cys 21 } L 0.521, 0.438, 2.557 { o cys 21 } L 0.858, -0.164, 3.575 { c cys 21 } P 0.521, 0.438, 2.557 { n gly 22 } L 1.237, 0.442, 1.431 { ca gly 22 } L 2.582, -0.092, 1.402 { c gly 22 } L 3.449, 0.397, 0.251 { o gly 22 } L 4.379, 1.165, 0.485 { c gly 22 } P 3.449, 0.397, 0.251 { n pro 23 } L 3.199, -0.062, -0.978 { ca pro 23 } L 4.119, -0.105, -2.099 { c pro 23 } L 5.054, 1.046, -2.439 { o pro 23 } L 5.918, 1.432, -1.653 { c pro 23 } P 5.054, 1.046, -2.439 { n asn 24 } L 4.956, 1.582, -3.658 { ca asn 24 } L 5.707, 2.726, -4.134 { c asn 24 } L 4.935, 3.955, -3.676 { o asn 24 } L 4.568, 4.824, -4.465 { c asn 24 } P 4.935, 3.955, -3.676 { n gly 25 } L 4.650, 3.985, -2.373 { ca gly 25 } L 3.871, 5.039, -1.758 { c gly 25 } L 2.477, 5.026, -2.371 { o gly 25 } L 1.972, 6.069, -2.782 { c gly 25 } P 2.477, 5.026, -2.371 { n phe 26 } L 1.849, 3.848, -2.394 { ca phe 26 } L 0.448, 3.683, -2.715 { c phe 26 } L -0.162, 2.662, -1.768 { o phe 26 } L 0.526, 1.941, -1.045 { c phe 26 } P -0.162, 2.662, -1.768 { n cys 27 } L -1.497, 2.675, -1.806 { ca cys 27 } L -2.443, 1.863, -1.070 { c cys 27 } L -2.951, 0.692, -1.897 { o cys 27 } L -3.117, 0.798, -3.111 { c cys 27 } P -2.951, 0.692, -1.897 { n gly 28 } L -3.235, -0.405, -1.194 { ca gly 28 } L -3.918, -1.574, -1.713 @balllist {s} color= gold radius= 0.25 master= {S balls} { sg cys 9 } L 1.647, 4.490, 1.639 { sg cys 21 } L 1.066, 3.255, 3.149 { sg cys 15 } L -4.335, 4.746, 1.441 { sg cys 27 } L -3.912, 2.777, 1.130 @vectorlist {ss} color= yellow master= {SS} {ca cys 9 } P 0.536, 6.936, 1.030 {cb cys 9 } L 0.195, 5.570, 1.617 { sg cys 9 } L 1.647, 4.490, 1.639 { sg cys 21 } L 1.066, 3.255, 3.149 {cb cys 21 } L -0.526, 2.737, 2.460 {ca cys 21 } L -0.775, 1.233, 2.473 {ca cys 15 } P -6.595, 6.329, 1.719 {cb cys 15 } L -6.138, 4.887, 1.519 { sg cys 15 } L -4.335, 4.746, 1.441 { sg cys 27 } L -3.912, 2.777, 1.130 {cb cys 27 } L -3.612, 2.751, -0.654 {ca cys 27 } L -2.443, 1.863, -1.070 @vectorlist {hb} color= brown master= {Hbonds} off @subgroup {2CRD} dominant @vectorlist {mc} color= white master= {main ch} { ca ser 6 }P 0.354, 6.839, -2.892 { ca cys 7 } L 0.270, 7.515, 0.836 { ca thr 8 } L 1.842, 8.758, 4.042 { ca glu 12 }P -5.803, 8.064, 3.026 { ca cys 13 } L -6.425, 4.625, 1.483 { ca trp 14 } L -9.578, 4.453, 3.553 { ca gly 26 }P -7.652, -0.004, 3.399 { c gly 26 } L -6.382, 0.065, 4.239 { o gly 26 } L -6.407, 0.263, 5.436 { c gly 26 } P -6.382, 0.065, 4.239 { n lys 27 } L -5.294, -0.112, 3.557 { ca lys 27 } L -3.961, -0.081, 4.204 { c lys 27 } L -2.941, 0.165, 3.110 { o lys 27 } L -3.103, -0.310, 2.007 { c lys 27 } P -2.941, 0.165, 3.110 { n cys 28 } L -1.917, 0.900, 3.434 { ca cys 28 } L -0.879, 1.187, 2.404 { c cys 28 } L 0.423, 0.396, 2.531 { o cys 28 } L 0.800, -0.074, 3.586 { c cys 28 } P 0.423, 0.396, 2.531 { n met 29 } L 1.044, 0.304, 1.385 { ca met 29 } L 2.336, -0.393, 1.178 { c met 29 } L 3.229, 0.707, 0.598 { o met 29 } L 2.733, 1.582, -0.088 { c met 29 } P 3.229, 0.707, 0.598 { n asn 30 } L 4.504, 0.612, 0.874 { ca asn 30 } L 5.494, 1.618, 0.385 { c asn 30 } L 5.256, 2.010, -1.074 { o asn 30 } L 5.537, 3.126, -1.470 { c asn 30 } P 5.256, 2.010, -1.074 { n lys 31 } L 4.744, 1.089, -1.842 { ca lys 31 } L 4.481, 1.409, -3.264 { c lys 31 } L 3.263, 2.316, -3.391 { o lys 31 } L 3.331, 3.353, -4.020 { c lys 31 } P 3.263, 2.316, -3.391 { n lys 32 } L 2.174, 1.917, -2.787 { ca lys 32 } L 0.947, 2.762, -2.884 { c lys 32 } L -0.039, 2.395, -1.799 { o lys 32 } L 0.191, 1.507, -1.011 { c lys 32 } P -0.039, 2.395, -1.799 { n cys 33 } L -1.132, 3.090, -1.776 { ca cys 33 } L -2.160, 2.811, -0.760 { c cys 33 } L -2.860, 1.620, -1.427 { o cys 33 } L -2.857, 1.513, -2.638 { c cys 33 } P -2.860, 1.620, -1.427 { n arg 34 } L -3.438, 0.753, -0.653 { ca arg 34 } L -4.128, -0.422, -1.264 { c arg 34 } L -5.433, -0.636, -0.524 { o arg 34 } L -5.531, -0.345, 0.649 { c arg 34 } P -5.433, -0.636, -0.524 { n cys 35 } L -6.399, -1.147, -1.232 { ca cys 35 } L -7.724, -1.392, -0.610 @balllist {s} color= gold radius= 0.25 master= {S balls} { sg cys 7 } L 0.885, 5.183, 2.230 { sg cys 28 } L 0.591, 3.408, 1.319 { sg cys 13 } L -4.024, 3.230, 2.170 { sg cys 33 } L -3.361, 4.720, 0.989 @vectorlist {ss} color= yellow master= {SS} {ca cys 7 } P 0.270, 7.515, 0.836 {cb cys 7 } L -0.337, 6.304, 1.503 { sg cys 7 } L 0.885, 5.183, 2.230 { sg cys 28 } L 0.591, 3.408, 1.319 {cb cys 28 } L -0.592, 2.677, 2.470 {ca cys 28 } L -0.879, 1.187, 2.404 {ca cys 13 } P -6.425, 4.625, 1.483 {cb cys 13 } L -5.772, 3.270, 1.742 { sg cys 13 } L -4.024, 3.230, 2.170 { sg cys 33 } L -3.361, 4.720, 0.989 {cb cys 33 } L -3.080, 4.013, -0.652 {ca cys 33 } L -2.160, 2.811, -0.760 @vectorlist {hb} color= brown master= {Hbonds} off @subgroup {1PDGa} dominant @vectorlist {mc} color= white master= {main ch} { ca glu a 15 }P -0.834, 11.362, 1.516 { ca cys a 16 } L 0.334, 7.709, 1.537 { ca lys a 17 } L 4.050, 8.012, 0.543 { ca cys a 52 }P -3.732, 6.406, 4.772{ ca cys a 53 } L -6.490, 5.617, 2.350 { ca asn a 54 } L -10.165, 5.772, 1.499 { ca asn a 55 } L -11.538, 2.387, 2.617 { ca arg a 56 } L -10.953, 0.763, 6.014 { ca asn a 57 } L -9.414, -2.116, 4.116 { ca val a 58 } L -7.129, -0.190, 1.775 { c val a 58 } L -5.919, 0.288, 2.620 { o val a 58 } L -6.171, 1.117, 3.504 { c val a 58 } P -5.919, 0.288, 2.620 { n gln a 59 } L -4.810, -0.293, 2.348 { ca gln a 59 } L -3.663, 0.044, 3.292 { c gln a 59 } L -2.509, 0.575, 2.500 { o gln a 59 } L -2.321, 0.221, 1.325 { c gln a 59 } P -2.509, 0.575, 2.500 { n cys a 60 } L -1.732, 1.450, 3.121 { ca cys a 60 } L -0.556, 2.106, 2.485 { c cys a 60 } L 0.614, 1.152, 2.651 { o cys a 60 } L 1.146, 1.155, 3.767 { c cys a 60 } P 0.614, 1.152, 2.651 { n arg a 61 } L 0.901, 0.379, 1.642 { ca arg a 61 } L 1.910, -0.700, 1.693 { c arg a 61 } L 3.009, -0.550, 0.673 { o arg a 61 } L 2.667, -0.134, -0.450 { c arg a 61 } P 3.009, -0.550, 0.673 { n pro a 62 } L 4.187, -1.051, 0.948 { ca pro a 62 } L 5.321, -0.940, 0.047 { c pro a 62 } L 5.099, -1.635, -1.263 { o 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cys 21}-1.272 4.528 1.753 {sg cys 8}-4.908 2.532 1.467 {sg cys 26}-5.319 2.565 -0.587 @vectorlist {ss} color= yellow master= {SS} {ca cys 3}P 1.437 6.867 1.956 {cb cys 3}1.721 5.372 1.808 {sg cys 3}0.541 4.5 0.754 {sg cys 21}-1.272 4.528 1.753 {cb cys 21}-1.097 3.323 3.079 {ca cys 21}-0.936 1.869 2.621 {ca cys 8}P -6.305 4.958 1.632 {cb cys 8}-5. 4.253 2. {sg cys 8}-4.908 2.532 1.467 {sg cys 26}-5.319 2.565 -0.587 {cb cys 26}-3.83 3.196 -1.397 {ca cys 26}-2.614 2.273 -1.317 @subgroup {Bwm-Brk d2} dominant @vectorlist {mc} color= white master= {main ch} {ca ser 29}P 3.198 8.523 2.68 {ca cys 30}-0.254 7.622 1.085 {ca his 31}-3.439 9.886 0.957 {ca asp 33}P -8.239 8.596 3.171 {ca cys 34}-6.049 5.433 2.577 {ca lys 35}-6.745 2.496 5.058 {ca lys 35}P -6.745 2.496 5.058 {c lys 35}-5.631 1.433 5.173 {o lys 35}-5.387 0.949 6.33 {c lys 35}P -5.631 1.433 5.173 {n ser 36}-4.966 0.97 4.152 {ca ser 36}-3.832 -0.037 4.243 {c ser 36}-2.807 0.482 3.208 {o ser 36}-3.171 0.537 1.996 {c ser 36}P -2.807 0.482 3.208 {n cys 37}-1.683 0.987 3.641 {ca cys 37}-0.679 1.656 2.778 {c cys 37}0.617 0.861 2.713 {o cys 37}1.074 0.623 3.872 {c cys 37}P 0.617 0.861 2.713 {n met 38}1.165 0.559 1.534 {ca met 38}2.408 -0.277 1.507 {c met 38}3.598 0.439 0.858 {o met 38}3.503 0.924 -0.302 {c met 38}P 3.598 0.439 0.858 {n cys 39}4.715 0.427 1.591 {ca cys 39}6.001 1.075 1.228 {c cys 39}7.23 0.078 1.273 {o cys 39}7.318 -1.082 1.824 {c cys 39}P 7.23 0.078 1.273 {n thr 40}8.289 0.588 0.568 {ca thr 40}9.605 -0.059 0.418 {ca gln 46}P 7.971 4.661 -2.53 {c gln 46}6.717 3.835 -2.069 {o gln 46}6.89 2.629 -1.828 {c gln 46}P 6.717 3.835 -2.069 {n cys 47}5.596 4.541 -1.856 {ca cys 47}4.329 3.97 -1.371 {c cys 47}3.171 3.905 -2.399 {o cys 47}3.097 4.718 -3.327 {c cys 47}P 3.171 3.905 -2.399 {n arg 48}2.272 2.933 -2.127 {ca arg 48}1.038 2.677 -2.9 {c arg 48}-0.163 2.302 -1.959 {o arg 48}0.103 1.626 -0.925 {c arg 48}P -0.163 2.302 -1.959 {n cys 49}-1.385 2.703 -2.398 {ca cys 49}-2.628 2.324 -1.61 {c cys 49}-3.198 0.982 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37}-0.679 1.656 2.778 {ca cys 34}P -6.049 5.433 2.577 {cb cys 34}-4.567 5.475 2.067 {sg cys 34}-4.02 3.768 1.595 {sg cys 49}-4.879 3.428 -0.169 {cb cys 49}-3.624 3.509 -1.512 {ca cys 49}-2.628 2.324 -1.61 @subgroup {w-Agatoxin} dominant @vectorlist {mc} color= white master= {main ch} {ca arg 11}P 0.215 6.561 -3.67 {ca cys 12}0.139 7.381 0.056 {ca lys 13}2.571 7.628 3.001 {ca pro 18}P -3.948 7.284 4.231 {ca cys 19}-6.53 5.413 2.114 {ca cys 20}-10.278 6.084 2.076 {ca arg 21}-12.003 2.985 0.755 {ca gly 22}-9.973 1.132 3.417 {ca arg 23}-6.748 0.35 1.542 {c arg 23}-5.619 0.393 2.571 {o arg 23}-5.656 1.152 3.519 {c arg 23}P -5.619 0.393 2.571 {n gly 24}-4.608 -0.408 2.382 {ca gly 24}-3.466 -0.407 3.334 {c gly 24}-2.247 0.172 2.63 {o gly 24}-1.781 -0.348 1.636 {c gly 24}P -2.247 0.172 2.63 {n cys 25}-1.737 1.252 3.132 {ca cys 25}-0.554 1.884 2.492 {c cys 25}0.657 0.968 2.627 {o cys 25}1.431 1.072 3.558 {c cys 25}P 0.657 0.968 2.627 {n ile 26}0.821 0.07 1.705 {ca ile 26}1.979 -0.862 1.764 {c 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{ca cys 12}P 0.139 7.381 0.056 {cb cys 12}-1.144 6.783 0.683 {sg cys 12}-0.837 6.052 2.321 {sg cys 25}0.286 4.416 1.937 {cb cys 25}-0.269 3.212 3.167 {ca cys 25}-0.554 1.884 2.492 {ca cys 19}P -6.53 5.413 2.114 {cb cys 19}-6.278 3.937 1.764 {sg cys 19}-4.619 3.421 2.293 {sg cys 36}-3.355 4.236 0.938 {cb cys 36}-3.7 3.356 -0.608 {ca cys 36}-2.655 2.255 -0.832 @vectorlist {hb} color= brown master= {Hbonds} off <2.112>{gly 24 hn} P U -4.594 -1.002 1.604 {lys 37 o} -5.024 -1.316 0.251 <2.112>{ile 26 hn} P U 0.18 0.012 0.967 {glu 35 o} -0.006 1.01 -0.098 <2.112>{glu 35 hn} P U 2.249 2.159 -0.713 {ile 26 o} 2.725 0.771 -0.341 <2.112>{lys 37 hn} P U -2.559 -0.281 -0.511 {gly 24 o} -2.014 -0.328 0.992 @subgroup {PCI} dominant @vectorlist {mc} color= white master= {main ch} {ca pro i 11}P -0.151 7.825 -3.164 {ca cys i 12}0.026 6.97 0.494 {ca lys i 13}2.479 7.577 3.404 {ca asp i 17}P -3.568 8.892 3.88 {ca cys i 18}-5.847 6.244 2.325 {ca ser i 19}-9.258 8.065 3.021 {ca gln i 25}P -6.911 0.64 2.879 {c gln i 25}-5.63 0.397 3.653 {o gln i 25}-5.377 0.943 4.771 {c gln i 25}P -5.63 0.397 3.653 {n ala i 26}-4.648 -0.26 3.053 {ca ala i 26}-3.317 -0.451 3.609 {c ala i 26}-2.337 0.388 2.771 {o ala i 26}-2.415 0.205 1.553 {c ala i 26}P -2.337 0.388 2.771 {n cys i 27}-1.408 0.999 3.452 {ca cys i 27}-0.277 1.602 2.677 {c cys i 27}0.748 0.453 2.469 {o cys i 27}1.021 -0.214 3.448 {c cys i 27}P 0.748 0.453 2.469 {n trp i 28}1.273 0.458 1.258 {ca trp i 28}2.302 -0.555 0.939 {c trp i 28}3.618 0.177 1.017 {o trp i 28}3.519 1.126 0.254 {c trp i 28}P 3.618 0.177 1.017 {n asn i 29}4.525 -0.082 1.895 {ca asn i 29}5.75 0.621 2.167 {c asn i 29}6.803 0.16 1.195 {o asn i 29}7.891 -0.283 1.672 {c asn i 29}P 6.803 0.16 1.195 {n ser i 30}6.401 0.102 -0.032 {ca ser i 30}7.309 -0.412 -1.062 {c ser i 30}6.681 -0.092 -2.368 {o ser i 30}7.039 -0.849 -3.335 {c ser i 30}P 6.681 -0.092 -2.368 {n ala i 31}5.663 0.74 -2.483 {ca ala i 31}4.986 1.136 -3.742 {c ala i 31}3.995 2.181 -3.207 {o ala i 31}2.813 1.793 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1.575 -0.318 <2.112>{gly 35 hn} P U -3.313 0.098 -0.439 {ala 26 o} -2.684 0.173 0.955 @balllist {s} color= gold radius= 0.25 master= {S balls} {sg cys i 12}-0.071 4.814 2.179 {sg cys i 27}1.532 3.707 2.053 {sg cys i 18}-3.985 4.176 1.618 {sg cys i 34}-4.037 4.776 -0.277 @vectorlist {ss} color= yellow master= {SS} {ca cys i 12}P 0.026 6.97 0.494 {cb cys i 12}-0.236 5.424 0.504 {sg cys i 12}-0.071 4.814 2.179 {sg cys i 27}1.532 3.707 2.053 {cb cys i 27}0.526 2.721 3.303 {ca cys i 27}-0.277 1.602 2.677 {ca cys i 18}P -5.847 6.244 2.325 {cb cys i 18}-5.553 4.724 2.455 {sg cys i 18}-3.985 4.176 1.618 {sg cys i 34}-4.037 4.776 -0.277 {cb cys i 34}-4.45 3.234 -1.148 {ca cys i 34}-3.181 2.403 -1.222 @subgroup {beta NGF} dominant @vectorlist {mc} color= white master= {main ch} {ca val 14}P -3.482 8.94 -0.669 {ca cys 15}-0.568 7.404 1.26 {ca asp 16}1.893 9.612 3.203 {ca gly 67}P -6.796 3.149 5.796 {ca cys 68}-5.496 5.373 2.967 {ca arg 69}-6.672 9.003 2.592 {ca ser 78}P -7.347 -0.133 2.47 {c ser 78}-6.29 0.018 3.559 {o ser 78}-6.578 0.045 4.749 {c ser 78}P -6.29 0.018 3.559 {n tyr 79}-5.051 0.012 3.133 {ca tyr 79}-3.934 0.338 3.961 {c tyr 79}-2.808 0.778 3.012 {o tyr 79}-2.901 0.485 1.817 {c tyr 79}P -2.808 0.778 3.012 {n cys 80}-1.749 1.465 3.383 {ca cys 80}-0.68 1.774 2.499 {c cys 80}0.405 0.743 2.689 {o cys 80}0.529 0.164 3.774 {c cys 80}P 0.405 0.743 2.689 {n thr 81}1.222 0.489 1.662 {ca thr 81}2.28 -0.496 1.677 {c thr 81}3.441 0.061 0.845 {o thr 81}3.259 0.813 -0.123 {c thr 81}P 3.441 0.061 0.845 {n thr 82}4.659 -0.328 1.208 {ca thr 82}5.865 0.068 0.501 {c thr 82}6.208 -0.879 -0.643 {o thr 82}6.221 -2.109 -0.479 {c thr 82}P 6.208 -0.879 -0.643 {n thr 83}6.463 -0.311 -1.824 {ca thr 83}6.865 -1.05 -2.993 {ca ala 107}P 7.137 4.168 -2.806 {c ala 107}6.185 3.624 -1.797 {o ala 107}6.359 2.497 -1.358 {c ala 107}P 6.185 3.624 -1.797 {n cys 108}5.222 4.482 -1.467 {ca cys 108}4.126 4.16 -0.578 {c cys 108}2.871 4.224 -1.417 {o cys 108}2.517 5.306 -1.905 {c cys 108}P 2.871 4.224 -1.417 {n val 109}2.21 3.081 -1.646 {ca val 109}0.976 2.998 -2.458 {c val 109}-0.185 2.359 -1.681 {o val 109}0.015 1.583 -0.738 {c val 109}P -0.185 2.359 -1.681 {n cys 110}-1.406 2.662 -2.098 {ca cys 110}-2.61 2.16 -1.465 {c cys 110}-3.097 0.871 -2.081 {o cys 110}-3.098 0.793 -3.315 {c cys 110}P -3.097 0.871 -2.081 {n val 111}-3.494 -0.148 -1.3 {ca val 111}-3.967 -1.399 -1.818 {c val 111}-5.388 -1.512 -1.323 {o val 111}-5.651 -1.263 -0.156 {c val 111}P -5.388 -1.512 -1.323 {n leu 112}-6.342 -1.876 -2.16 {ca leu 112}-7.732 -1.963 -1.783 @vectorlist {hb} color= brown master= {Hbonds} off <2.260>{tyr 79 hn} P U -4.875 -0.233 2.18 {val 111 o} -5.418 -0.954 0.545 <1.260>{thr 81 hn} P U 1.101 1.013 0.819 {val 109 o} 0.341 1.412 -0.271 <1.260>{val 109 hn} P U 2.577 2.243 -1.243 {thr 81 o} 3.054 1.242 -0.459 <2.260>{val 111 hn} P U -3.466 -0.049 -0.305 {tyr 79 o} -3.071 0.325 1.18 @balllist {s} color= gold radius= 0.25 master= {S balls} {sg cys 15}-1.252 4.95 0.81 {sg cys 80}-1.403 4.349 2.71 {sg cys 68}-4.834 3.296 1.258 {sg cys 110}-5.196 2.892 -0.68 @vectorlist {ss} color= yellow master= {SS} {ca cys 15}P -0.568 7.404 1.26 {cb cys 15}0.06 6.139 0.802 {sg cys 15}-1.252 4.95 0.81 {sg cys 80}-1.403 4.349 2.71 {cb cys 80}-0.154 3.085 2.828 {ca cys 80}-0.68 1.774 2.499 {ca cys 68}P -5.496 5.373 2.967 {cb cys 68}-5.303 5.002 1.536 {sg cys 68}-4.834 3.296 1.258 {sg cys 110}-5.196 2.892 -0.68 {cb cys 110}-3.67 3.216 -1.582 {ca cys 110}-2.61 2.16 -1.465