@text Lori Butler University of Southern Mississippi Fall 2000 Human hexokinase I is the pacemaker of glycolysis in the brain tissue and red blood cells. Hexokinase catalyzes the first reaction in the process of glycolysis. The enzyme binds both glucose-6-phosphate and ATP. Glucose-6-phosphate acts as a competitive inhibitor. [kinemage 1] This kinemage shows an overview of the protein as a whole. There are two proteins shown, one with the carbon backbone and the other with the ribbon structure. One feature of this protein is that there is a transition helix that separates the two terminals. The transition helix begins with residue 448 and ends with residue 475. The actual amino acid that officially separates the two halves is Glu465. Another connection between the two domains in the closed conformation is a salt bridge. This salt bridge contains residue asp251 of the N-terminal and arg801 of the C-terminal. When the enzyme binds the substrate and assumes the open conformation, the salt bridge breaks. Hexokinase I also binds certain metals. In this case, calcium is bound. Other metals that can be bound are potassium and magnesium. These metals do not have any effect on the function of this enzyme. As most proteins, hexokinase I contains both alpha helices and beta sheets. The al[ha helix shown displays the typical right-handedness and the beta sheet shows a right-handed twist to the structure. [kinemage 2] The C-terminal is composed of amino acid residues 466 to 914. The C-terminal is divided into a large and small subunit. The large subunit is composed of residues 466 to 522 and 658-895. Likewise, the small subunit is composed of residues 523 to 657 and 896 to 913. The active site for hexokinase I is located in the C-terminal. Amino acid residues that are involved in the active site are asp532, asp861, thr680, and thr536. Thr680 and asp532 are hydrogen bonded to two hydroxyl groups on the inhibitor glucose-6-phosphate. Asp861 is bonded to only one of the hydroxyl groups of the inhibitor. The last residue in the active site of hexokinase I is bonded to the 6-phosphoryl group of glucose-6-phoshate. The C-terminal also contains a metal binded to it. In this case, it is calcium. [Kinemage 3] Like the C-terminal, the N-terminal is also composed of a large and small subunit. The large subunit contains amino acid residues 13 to 74 and 210 to 447. The small subunit is composed of residues 75 to 209 and 448 to 465. The N-terminal of hexikinase I contains the allosteric binding site. Residues involved in this binding are asp84, ser88, thr232, asp413, ser415, and ser449. Asp84, asp413, and ser449 all bind to the glucose ring in glucose-6-phosphate. Residues ser88, thr232, and ser415 are hydrogen bonded to the hydroxyl groups in glucose-6-phosphate. Gly87 is also located in the allosteric site. It plays no role, nor does it hinder the binding of the substrate. The N-terminal and C-terminal are almost identical. The N-terminal also has a metal bound to it. In this case, the metal is calcium. References: Alexander E. Aleshin, Chenbo Zeng, Hans D. Bartunik, Herbert J. Fromm, Richard B. Honzatko. "Regulation of Hexokinase I: Crystal Structure of Recombinant Human Brain Hexokinase Complexed with Glucose and Phosphate." Journal of Molecular Biology. Vol.282, No. 2 (September 1998). Xiaofeng Liu, Chang Sup Kim, Feruz T. Kurbanov, Richard B. Honzatko, and Herbert J. Fromm. "Dual Mechanisms for Glucose6-Phosphate Inhibition of Human Brain Hexokinase." J Biol Chem. Vol 274, Issue 44 (October 1999). 31155-31159. Tsuei-Yun Fang, Olga Alechina, Alexander E. Aleshin, Herbert J. Fromm, and Richard B. Honzatko. "Identification of a Phosphate Regulatory Site and a Low Affinity Binding Site for Glucose 6-Phosphate in the N-terminal Half of Human Brain Hexokinase." J Biol chem.. Vol 273, Issue 31 (July 1998). 19548-19553. coordinates from file: 1hkb.pdb HEADER PHOSPHOTRANSFERASE 01-DEC-97 1HKB TITLE CRYSTAL STRUCTURE OF RECOMBINANT HUMAN BRAIN HEXOKINASE TITLE 2 TYPE I COMPLEXED WITH GLUCOSE AND GLUCOSE-6-PHOSPHATE KEYWDS PHOSPHOTRANSFERASE, GLYCOLYSIS, ALLOSTERIC ENZYME, GLUCOSE, KEYWDS 2 GLUCOSE-6-PHOSPHATE AUTHOR A.E.ALESHIN,C.ZENG,G.P.BURENKOV,H.D.BARTUNIK,H.J.FROMM, AUTHOR 2 R.B.HONZATKO coordinates from file: 1hkb.pdb HEADER PHOSPHOTRANSFERASE 01-DEC-97 1HKB TITLE CRYSTAL STRUCTURE OF RECOMBINANT HUMAN BRAIN HEXOKINASE TITLE 2 TYPE I COMPLEXED WITH GLUCOSE AND GLUCOSE-6-PHOSPHATE KEYWDS PHOSPHOTRANSFERASE, GLYCOLYSIS, ALLOSTERIC ENZYME, GLUCOSE, KEYWDS 2 GLUCOSE-6-PHOSPHATE AUTHOR A.E.ALESHIN,C.ZENG,G.P.BURENKOV,H.D.BARTUNIK,H.J.FROMM, AUTHOR 2 R.B.HONZATKO coordinates from file: 1hkb.pdb HEADER PHOSPHOTRANSFERASE 01-DEC-97 1HKB TITLE CRYSTAL STRUCTURE OF RECOMBINANT HUMAN BRAIN HEXOKINASE TITLE 2 TYPE I COMPLEXED WITH GLUCOSE AND GLUCOSE-6-PHOSPHATE KEYWDS PHOSPHOTRANSFERASE, GLYCOLYSIS, ALLOSTERIC ENZYME, GLUCOSE, KEYWDS 2 GLUCOSE-6-PHOSPHATE AUTHOR A.E.ALESHIN,C.ZENG,G.P.BURENKOV,H.D.BARTUNIK,H.J.FROMM, AUTHOR 2 R.B.HONZATKO coordinates from file: 1hkb.pdb HEADER PHOSPHOTRANSFERASE 01-DEC-97 1HKB TITLE CRYSTAL STRUCTURE OF RECOMBINANT HUMAN BRAIN HEXOKINASE TITLE 2 TYPE I COMPLEXED WITH GLUCOSE AND GLUCOSE-6-PHOSPHATE KEYWDS PHOSPHOTRANSFERASE, GLYCOLYSIS, ALLOSTERIC ENZYME, GLUCOSE, KEYWDS 2 GLUCOSE-6-PHOSPHATE AUTHOR A.E.ALESHIN,C.ZENG,G.P.BURENKOV,H.D.BARTUNIK,H.J.FROMM, AUTHOR 2 R.B.HONZATKO coordinates from file: 1hkb.pdb HEADER PHOSPHOTRANSFERASE 01-DEC-97 1HKB TITLE CRYSTAL STRUCTURE OF RECOMBINANT HUMAN BRAIN HEXOKINASE TITLE 2 TYPE I COMPLEXED WITH GLUCOSE AND GLUCOSE-6-PHOSPHATE KEYWDS PHOSPHOTRANSFERASE, GLYCOLYSIS, ALLOSTERIC ENZYME, GLUCOSE, KEYWDS 2 GLUCOSE-6-PHOSPHATE AUTHOR A.E.ALESHIN,C.ZENG,G.P.BURENKOV,H.D.BARTUNIK,H.J.FROMM, AUTHOR 2 R.B.HONZATKO coordinates from file: 1hkb.pdb HEADER PHOSPHOTRANSFERASE 01-DEC-97 1HKB TITLE CRYSTAL STRUCTURE OF RECOMBINANT HUMAN BRAIN HEXOKINASE TITLE 2 TYPE I COMPLEXED WITH GLUCOSE AND GLUCOSE-6-PHOSPHATE KEYWDS PHOSPHOTRANSFERASE, GLYCOLYSIS, ALLOSTERIC ENZYME, GLUCOSE, KEYWDS 2 GLUCOSE-6-PHOSPHATE AUTHOR A.E.ALESHIN,C.ZENG,G.P.BURENKOV,H.D.BARTUNIK,H.J.FROMM, AUTHOR 2 R.B.HONZATKO coordinates from file: 1hkb.pdb HEADER PHOSPHOTRANSFERASE 01-DEC-97 1HKB TITLE CRYSTAL STRUCTURE OF RECOMBINANT HUMAN BRAIN HEXOKINASE TITLE 2 TYPE I COMPLEXED WITH GLUCOSE AND GLUCOSE-6-PHOSPHATE KEYWDS PHOSPHOTRANSFERASE, GLYCOLYSIS, ALLOSTERIC ENZYME, GLUCOSE, KEYWDS 2 GLUCOSE-6-PHOSPHATE AUTHOR A.E.ALESHIN,C.ZENG,G.P.BURENKOV,H.D.BARTUNIK,H.J.FROMM, AUTHOR 2 R.B.HONZATKO coordinates from file: 1hkb.pdb HEADER PHOSPHOTRANSFERASE 01-DEC-97 1HKB TITLE CRYSTAL STRUCTURE OF RECOMBINANT HUMAN BRAIN HEXOKINASE TITLE 2 TYPE I COMPLEXED WITH GLUCOSE AND GLUCOSE-6-PHOSPHATE KEYWDS PHOSPHOTRANSFERASE, GLYCOLYSIS, ALLOSTERIC ENZYME, GLUCOSE, KEYWDS 2 GLUCOSE-6-PHOSPHATE AUTHOR A.E.ALESHIN,C.ZENG,G.P.BURENKOV,H.D.BARTUNIK,H.J.FROMM, AUTHOR 2 R.B.HONZATKO @kinemage 1 @caption An overview of human brain hexokinase I showing several features of the protein and the secondary structure. coordinates from file: 1hkb.pdb coordinates from file: 1hkb.pdb coordinates from file: 1hkb.pdb @onewidth @viewid {overview} @zoom 1.03 @zslab 200 @ztran 0 @center 45.499 -29.055 53.881 @matrix 0.889117 0.453111 -0.064503 0.310592 -0.493839 0.812192 0.336160 -0.742168 -0.579813 @2viewid {transition heli} @2zoom 5.26 @2zslab 178 @2ztran 0 @2center 14.942 -3.931 14.790 @2matrix 0.519708 -0.372433 -0.768893 -0.185417 -0.927700 0.324030 -0.833981 -0.025835 -0.551189 @3viewid {glu465} @3zoom 9.84 @3zslab 178 @3ztran 0 @3center 14.942 -3.931 14.790 @3matrix 0.618733 -0.537471 0.572969 -0.750716 -0.189580 0.632840 -0.231509 -0.821697 -0.520787 @4viewid {arg801-asp251} @4zoom 8.81 @4zslab 200 @4ztran 0 @4center 23.862 -15.911 34.785 @4matrix -0.529265 0.822244 0.209270 -0.269656 0.070846 -0.960347 -0.804466 -0.564708 0.184227 @5viewid {calcium} @5zoom 9.15 @5zslab 200 @5ztran 0 @5center 32.640 -15.823 29.342 @5matrix 0.843010 0.036185 -0.536680 0.252040 -0.908001 0.334680 -0.475195 -0.417403 -0.774574 @6viewid {alpha helix} @6zoom 6.16 @6zslab 200 @6ztran 0 @6center 66.748 27.065 19.834 @6matrix 0.862820 0.451213 -0.227920 0.423377 -0.398656 0.813527 0.276213 -0.798423 -0.535002 @7viewid {beta sheet} @7zoom 6.25 @7zslab 200 @7ztran 0 @7center 51.235 4.941 67.960 @7matrix -0.986366 0.134764 0.094441 -0.157938 -0.936437 -0.313277 0.046219 -0.323922 0.944954 @master {Calphas} @master {hets} @master {mainchain} @master {atoms} @master {sidechain} @master {ribbon} @master {coil} @master {alpha} @master {beta} @colorset {alpha1hkba} gold @colorset {beta1hkba} sea @colorset {coil1hkba} white @colorset {nucleic1hkba} pink @colorset {alpha1hkbb} gold @colorset {beta1hkbb} sea @colorset {coil1hkbb} white @colorset {nucleic1hkbb} pink @group {1hkba} dominant @subgroup {mainchain} @vectorlist {Calphas} color= white master= {Calphas} { ca asp a 16 B99.66}P 64.479 -45.002 -7.549 {"}64.479 -45.002 -7.549 { ca asp a 17 B100.00}67.320 -42.909 -6.132 { ca gln a 18 B100.00}66.289 -39.697 -7.889 { ca val a 19 B94.67}63.213 -39.873 -5.679 { ca lys a 20 B93.15}65.384 -40.988 -2.777 { ca lys a 21 B95.21}67.667 -38.195 -3.990 { ca ile a 22 B90.21}65.217 -35.351 -3.414 { ca asp a 23 B87.01}63.644 -37.073 -0.405 { ca lys a 24 B95.15}67.139 -36.552 0.951 { ca tyr a 25 B94.00}67.489 -32.915 -0.082 { ca leu a 26 B78.79}63.999 -31.782 0.961 { ca tyr a 27 B81.29}64.281 -34.015 4.008 { ca ala a 28 B80.43}63.299 -31.162 6.292 { ca met a 29 B67.25}59.940 -30.809 4.565 { ca arg a 30 B80.82}59.157 -34.404 5.523 { ca leu a 31 B69.68}57.215 -34.191 8.780 { ca ser a 32 B67.75}56.958 -37.258 11.011 { ca asp a 33 B67.26}53.684 -38.254 12.696 { ca glu a 34 B71.09}55.265 -37.888 16.120 { ca thr a 35 B72.98}56.218 -34.430 14.896 { ca leu a 36 B60.26}52.698 -33.707 13.643 { ca ile a 37 B64.71}51.429 -34.736 17.070 { ca asp a 38 B67.39}53.882 -32.307 18.680 { ca ile a 39 B54.98}52.595 -29.397 16.624 { ca met a 40 B60.10}49.028 -30.477 17.429 { ca thr a 41 B55.74}49.736 -30.342 21.139 { ca arg a 42 B55.43}51.391 -26.971 20.587 { ca phe a 43 B47.33}48.375 -25.430 18.883 { ca arg a 44 B55.86}46.154 -26.909 21.569 { ca lys a 45 B55.69}48.082 -24.760 24.052 { ca glu a 46 B44.46}47.955 -21.708 21.797 { ca met a 47 B45.83}44.164 -22.001 21.836 { ca lys a 48 B51.61}44.043 -21.976 25.622 { ca asn a 49 B44.94}46.266 -18.895 25.903 { ca gly a 50 B31.74}44.229 -17.141 23.260 { ca leu a 51 B37.48}40.954 -17.645 25.082 { ca ser a 52 B47.42}42.357 -16.631 28.475 { ca arg a 53 B59.50}41.913 -13.101 29.775 { ca asp a 54 B57.06}45.354 -13.253 31.402 { ca phe a 55 B45.51}47.359 -14.515 28.436 { ca asn a 56 B35.98}45.254 -13.409 25.500 { ca pro a 57 B43.00}47.187 -10.109 25.286 { ca thr a 58 B44.54}50.352 -12.011 24.375 { ca ala a 59 B41.08}48.930 -14.874 22.268 { ca thr a 60 B37.35}49.568 -15.138 18.527 { ca val a 61 B41.33}46.452 -17.251 17.972 { ca lys a 62 B34.86}43.748 -14.637 18.635 { ca met a 63 B27.56}40.746 -16.918 19.203 { ca leu a 64 B29.38}38.515 -13.962 18.328 { ca pro a 65 B25.79}34.778 -14.130 19.269 { ca thr a 66 B24.01}32.329 -13.811 16.357 { ca phe a 67 B35.60}29.015 -13.146 18.107 { ca val a 68 B31.44}27.478 -16.009 16.149 { ca arg a 69 B46.58}25.943 -18.446 18.670 { ca ser a 70 B47.46}24.452 -21.142 16.449 { ca ile a 71 B43.62}24.236 -22.451 12.897 { ca pro a 72 B48.98}21.006 -21.950 10.897 { ca asp a 73 B63.36}17.852 -23.350 12.468 { ca gly a 74 B62.65}15.613 -22.887 9.435 { ca ser a 75 B60.40}13.567 -19.986 10.759 { ca glu a 76 B51.84}15.745 -17.573 8.765 { ca lys a 77 B55.16}13.930 -15.631 6.041 { ca gly a 78 B46.65}14.089 -12.410 4.041 { ca asp a 79 B45.59}15.928 -10.668 1.199 { ca phe a 80 B42.82}19.595 -9.846 1.849 { ca ile a 81 B38.10}22.722 -8.743 0.020 { ca ala a 82 B29.61}26.153 -10.208 0.804 { ca leu a 83 B22.93}29.668 -8.968 0.095 { ca asp a 84 B36.67}32.628 -11.299 -0.175 { ca leu a 85 B37.24}35.985 -9.484 -0.096 { ca gly a 86 B50.58}39.292 -11.033 0.874 { ca gly a 87 B61.07}39.079 -14.292 -1.023 { ca ser a 88 B57.48}40.485 -14.790 -4.500 { ca ser a 89 B55.21}37.439 -13.084 -5.985 { ca phe a 90 B45.34}35.439 -10.008 -4.997 { ca arg a 91 B47.27}31.882 -11.258 -5.364 { ca ile a 92 B40.39}28.543 -9.708 -4.433 { ca leu a 93 B47.29}25.378 -11.775 -4.048 { ca arg a 94 B46.39}21.683 -11.507 -3.228 { ca val a 95 B40.18}20.113 -14.261 -1.172 { ca gln a 96 B51.26}16.358 -14.622 -0.942 { ca val a 97 B73.13}14.987 -17.118 1.571 { ca asn a 98 B80.26}11.487 -17.725 2.950 { ca his a 99 B95.27}10.122 -21.135 3.788 { ca glu a 100 B100.00}7.217 -19.526 5.637 { ca lys a 101 B97.88}5.540 -18.598 2.371 { ca asn a 102 B94.59}6.983 -21.500 0.386 { ca gln a 103 B90.14}10.150 -20.138 -1.225 { ca asn a 104 B78.81}13.419 -22.007 -0.684 { ca val a 105 B71.82}16.950 -20.574 -0.760 { ca his a 106 B69.78}17.722 -18.713 -3.996 { ca met a 107 B63.38}20.753 -16.555 -4.792 { ca glu a 108 B65.15}22.258 -14.658 -7.705 { ca ser a 109 B64.76}25.884 -13.542 -7.502 { ca glu a 110 B64.01}28.268 -11.392 -9.509 { ca val a 111 B56.77}32.042 -11.138 -9.630 { ca tyr a 112 B60.83}33.889 -7.829 -9.796 { ca asp a 113 B76.27}37.480 -7.078 -10.733 { ca thr a 114 B73.88}39.898 -5.753 -8.148 { ca pro a 115 B79.66}43.236 -4.591 -9.662 { ca glu a 116 B86.49}46.556 -4.897 -7.810 { ca asn a 117 B83.35}46.115 -1.135 -7.616 { ca ile a 118 B65.66}43.068 -0.820 -5.374 { ca val a 119 B49.56}44.142 -3.726 -3.190 { ca his a 120 B50.90}47.443 -2.007 -2.463 { ca gly a 121 B58.04}46.249 1.586 -2.533 { ca ser a 122 B59.54}44.590 3.743 0.104 { ca gly a 123 B58.53}41.725 2.357 2.155 { ca ser a 124 B64.11}39.689 5.178 0.673 { ca gln a 125 B61.08}40.320 4.057 -2.887 { ca leu a 126 B51.23}39.525 0.486 -1.845 { ca phe a 127 B50.82}36.243 1.217 -0.115 { ca asp a 128 B61.52}35.193 3.601 -2.881 { ca his a 129 B55.96}35.480 0.663 -5.250 { ca val a 130 B48.71}33.512 -1.665 -2.984 { ca ala a 131 B54.94}30.835 1.039 -2.703 { ca glu a 132 B66.99}30.788 1.563 -6.436 { ca cys a 133 B67.08}30.533 -2.159 -7.185 { ca leu a 134 B65.47}27.633 -2.585 -4.744 { ca gly a 135 B63.43}25.897 0.353 -6.394 { ca asp a 136 B65.19}26.190 -1.159 -9.865 { ca phe a 137 B64.83}24.984 -4.533 -8.609 { ca met a 138 B71.81}21.838 -2.985 -7.088 { ca glu a 139 B77.66}21.229 -1.064 -10.313 { ca lys a 140 B83.33}21.500 -4.103 -12.555 { ca arg a 141 B82.39}18.745 -5.539 -10.372 { ca lys a 142 B90.84}17.120 -2.154 -9.739 { ca ile a 143 B87.32}16.818 -2.968 -6.026 { ca lys a 144 B93.47}18.220 0.349 -4.804 { ca asp a 145 B97.15}14.819 1.446 -3.469 { ca lys a 146 B93.65}14.923 -1.484 -1.063 { ca lys a 147 B88.34}16.692 -1.100 2.279 { ca leu a 148 B68.50}17.927 -4.673 1.922 { ca pro a 149 B53.05}20.188 -5.704 4.846 { ca val a 150 B37.58}23.834 -6.109 3.895 { ca gly a 151 B44.05}26.068 -8.818 5.296 { ca phe a 152 B37.17}29.835 -8.323 5.014 { ca thr a 153 B29.26}32.216 -11.227 4.579 { ca phe a 154 B25.85}35.628 -9.751 5.317 { ca ser a 155 B32.65}38.280 -12.493 5.364 { ca phe a 156 B30.97}40.773 -10.737 7.669 { ca pro a 157 B27.26}41.410 -10.699 11.452 { ca cys a 158 B29.94}38.990 -8.280 13.116 { ca gln a 159 B38.03}38.347 -7.003 16.601 { ca gln a 160 B26.51}34.622 -6.835 17.365 { ca ser a 161 B34.80}32.589 -6.058 20.478 { ca lys a 162 B36.86}29.433 -6.553 18.458 { ca ile a 163 B29.95}28.583 -8.186 15.106 { ca asp a 164 B33.07}28.195 -4.929 13.182 { ca glu a 165 B35.85}31.595 -3.574 14.137 { ca ala a 166 B32.99}34.886 -4.798 12.723 { ca ile a 167 B35.99}38.191 -3.128 13.533 { ca leu a 168 B29.29}40.942 -4.435 11.277 { ca ile a 169 B21.97}43.785 -5.861 13.328 { ca thr a 170 B31.28}46.094 -6.369 10.362 { ca trp a 171 B20.43}46.023 -7.111 6.620 { ca thr a 172 B28.91}46.938 -10.571 5.314 { ca lys a 173 B33.59}47.320 -12.339 1.984 { ca arg a 174 B38.41}47.444 -9.936 -0.977 { ca phe a 175 B36.53}45.767 -6.913 0.594 { ca lys a 176 B37.56}47.805 -3.941 1.807 { ca ala a 177 B48.06}45.650 -0.810 1.797 { ca ser a 178 B48.97}46.730 2.165 3.873 { ca gly a 179 B44.80}44.615 3.847 6.529 { ca val a 180 B35.66}42.529 0.814 7.359 { ca glu a 181 B35.41}44.356 -1.137 10.058 { ca gly a 182 B48.42}43.007 -0.165 13.458 { ca ala a 183 B44.99}39.903 1.400 11.931 { ca asp a 184 B44.72}36.356 0.100 11.656 { ca val a 185 B33.55}35.799 -1.119 8.059 { ca val a 186 B29.74}32.068 -0.786 8.631 { ca lys a 187 B40.32}32.440 2.916 9.376 { ca leu a 188 B47.42}34.999 3.204 6.589 { ca leu a 189 B46.94}32.648 1.541 4.122 { ca asn a 190 B57.50}29.612 3.469 5.389 { ca lys a 191 B64.96}31.475 6.691 4.659 { ca ala a 192 B62.60}32.254 5.728 1.049 { ca ile a 193 B57.05}28.603 4.921 0.345 { ca lys a 194 B75.15}27.278 8.098 1.961 { ca lys a 195 B86.28}29.889 9.961 -0.054 { ca arg a 196 B96.18}28.227 8.534 -3.155 { ca gly a 197 B99.77}24.732 9.683 -2.212 { ca asp a 198 B95.24}23.823 7.139 -4.875 { ca tyr a 199 B87.01}22.061 4.764 -2.501 { ca asp a 200 B87.09}21.687 3.651 1.103 { ca ala a 201 B81.65}23.446 0.718 2.752 { ca asn a 202 B63.16}22.423 -1.061 5.938 { ca ile a 203 B42.15}25.504 -3.132 6.777 { ca val a 204 B30.79}24.064 -5.291 9.551 { ca ala a 205 B26.60}26.955 -7.680 10.135 { ca val a 206 B27.05}30.544 -8.553 9.377 { ca val a 207 B37.49}31.643 -12.194 9.301 { ca asn a 208 B38.90}34.893 -13.936 8.522 { ca asp a 209 B32.73}34.792 -16.481 5.688 { ca thr a 210 B29.69}35.531 -19.407 8.003 { ca val a 211 B29.37}32.382 -18.436 9.888 { ca gly a 212 B26.82}30.440 -17.884 6.673 { ca thr a 213 B36.20}31.592 -21.274 5.390 { ca met a 214 B35.79}30.524 -22.977 8.619 { ca met a 215 B32.60}27.121 -21.289 8.480 { ca thr a 216 B31.80}26.675 -22.498 4.879 { ca cys a 217 B38.01}27.492 -26.153 5.455 { ca gly a 218 B35.62}25.500 -26.060 8.689 { ca tyr a 219 B29.61}22.358 -25.175 6.787 { ca asp a 220 B36.00}22.534 -28.561 5.047 { ca asp a 221 B43.02}24.157 -30.460 7.918 { ca gln a 222 B53.01}23.045 -29.626 11.445 { ca his a 223 B53.17}26.172 -31.284 12.816 { ca cys a 224 B44.60}28.585 -28.734 11.383 { ca glu a 225 B36.37}30.717 -27.278 14.216 { ca val a 226 B31.44}33.786 -26.217 12.234 { ca gly a 227 B37.51}34.542 -23.948 9.301 { ca leu a 228 B37.75}37.762 -24.458 7.399 { ca ile a 229 B36.28}39.406 -22.519 4.583 { ca ile a 230 B38.23}42.434 -23.519 2.510 { ca gly a 231 B30.59}42.830 -21.201 -0.465 { ca thr a 232 B30.24}44.756 -17.967 -0.931 { ca gly a 233 B21.45}45.066 -18.188 2.861 { ca thr a 234 B29.29}44.128 -20.700 5.553 { ca asn a 235 B33.46}42.090 -20.344 8.752 { ca ala a 236 B30.89}39.413 -22.125 10.795 { ca cys a 237 B28.27}36.590 -21.382 13.252 { ca tyr a 238 B29.27}34.697 -23.581 15.698 { ca met a 239 B31.20}31.843 -23.563 18.260 { ca glu a 240 B27.03}33.284 -22.859 21.710 { ca glu a 241 B29.82}31.524 -22.870 25.093 { ca leu a 242 B39.08}30.626 -19.347 26.200 { ca arg a 243 B53.94}31.933 -20.231 29.647 { ca his a 244 B41.12}35.377 -20.649 28.048 { ca ile a 245 B35.33}35.436 -17.329 26.218 { ca asp a 246 B33.78}36.853 -15.090 28.973 { ca leu a 247 B35.40}36.681 -11.949 26.827 { ca val a 248 B34.53}32.894 -12.204 26.510 { ca glu a 249 B43.93}30.676 -11.838 29.586 { ca gly a 250 B52.92}28.352 -14.815 29.747 { ca asp a 251 B52.86}28.427 -18.519 30.534 { ca glu a 252 B53.36}25.316 -19.515 28.656 { ca gly a 253 B44.95}25.543 -21.544 25.467 { ca arg a 254 B35.32}28.135 -21.368 22.712 { ca met a 255 B27.35}29.671 -18.774 20.402 { ca cys a 256 B28.47}31.781 -19.170 17.288 { ca ile a 257 B27.44}35.485 -18.446 17.738 { ca asn a 258 B20.22}37.626 -17.460 14.734 { ca thr a 259 B30.37}40.995 -18.935 15.630 { ca glu a 260 B33.03}43.019 -17.116 12.969 { ca trp a 261 B31.95}45.615 -19.907 13.073 { ca gly a 262 B29.36}47.467 -18.545 10.068 { ca ala a 263 B29.90}49.489 -16.614 12.613 { ca phe a 264 B34.48}50.385 -19.766 14.484 { ca gly a 265 B43.10}54.076 -19.579 15.430 { ca asp a 266 B36.43}54.511 -15.882 14.659 { ca asp a 267 B38.89}56.160 -15.610 18.052 { ca gly a 268 B44.73}58.723 -18.009 16.687 { ca ser a 269 B52.31}57.192 -21.216 17.981 { ca leu a 270 B52.12}57.713 -23.022 14.665 { ca glu a 271 B52.61}61.234 -21.860 13.849 { ca asp a 272 B57.53}62.383 -25.419 14.454 { ca ile a 273 B53.88}60.093 -26.510 11.632 { ca arg a 274 B54.76}60.553 -23.634 9.185 { ca thr a 275 B54.53}63.107 -23.974 6.377 { ca glu a 276 B58.11}65.421 -21.482 4.713 { ca phe a 277 B52.57}62.938 -21.737 1.864 { ca asp a 278 B51.16}60.220 -20.565 4.213 { ca arg a 279 B40.76}62.255 -17.643 5.547 { ca glu a 280 B47.94}63.267 -16.583 2.071 { ca ile a 281 B48.51}59.613 -16.715 1.058 { ca asp a 282 B40.66}58.852 -14.439 4.004 { ca arg a 283 B27.20}61.646 -11.936 3.433 { ca gly a 284 B34.04}59.986 -11.299 0.092 { ca ser a 285 B42.51}56.411 -11.218 1.370 { ca leu a 286 B38.33}54.064 -8.267 1.796 { ca asn a 287 B28.21}53.866 -8.804 5.562 { ca pro a 288 B21.92}57.303 -9.911 6.779 { ca gly a 289 B35.30}57.198 -11.769 10.062 { ca lys a 290 B40.12}53.469 -12.537 10.139 { ca gln a 291 B33.14}51.136 -15.390 9.181 { ca leu a 292 B33.11}54.083 -17.780 9.256 { ca phe 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ca glu a 316 B93.12}73.730 -26.964 -7.705 { ca gly a 317 B94.01}73.379 -28.654 -11.083 { ca leu a 318 B87.76}70.727 -30.994 -9.643 { ca leu a 319 B78.91}68.098 -29.942 -12.199 { ca phe a 320 B91.82}67.839 -28.710 -15.776 { ca glu a 321 B98.05}71.530 -29.555 -16.130 { ca gly a 322 B89.74}72.357 -26.707 -13.772 { ca arg a 323 B89.62}70.794 -24.309 -16.289 { ca ile a 324 B79.05}69.005 -21.285 -14.818 { ca thr a 325 B82.82}66.908 -19.077 -17.077 { ca pro a 326 B84.78}65.838 -15.512 -16.122 { ca glu a 327 B65.61}62.334 -16.909 -15.872 { ca leu a 328 B62.43}63.179 -19.607 -13.355 { ca leu a 329 B63.07}64.502 -16.660 -11.330 { ca thr a 330 B61.79}61.673 -14.170 -11.780 { ca arg a 331 B67.20}59.256 -13.986 -8.875 { ca gly a 332 B70.95}55.927 -15.754 -9.224 { ca lys a 333 B71.84}56.617 -17.379 -12.570 { ca phe a 334 B71.57}55.695 -20.764 -11.096 { ca asn a 335 B64.50}52.023 -20.547 -10.048 { ca thr a 336 B62.90}50.412 -22.940 -7.614 { ca ser a 337 B63.18}48.241 -23.858 -10.588 { ca asp a 338 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ala a 383 B44.77}47.956 -30.929 3.886 { ca asn a 384 B46.46}49.824 -32.484 6.804 { ca leu a 385 B43.41}50.242 -29.297 8.835 { ca val a 386 B32.05}46.601 -28.295 8.472 { ca ala a 387 B42.01}45.673 -31.788 9.588 { ca ala a 388 B46.31}47.639 -31.288 12.790 { ca thr a 389 B43.33}45.958 -28.035 13.856 { ca leu a 390 B36.87}42.447 -29.040 12.736 { ca gly a 391 B43.77}43.068 -32.120 14.808 { ca ala a 392 B44.11}43.755 -29.959 17.856 { ca ile a 393 B30.72}40.363 -28.323 17.321 { ca leu a 394 B40.95}38.422 -31.599 16.997 { ca asn a 395 B54.23}40.124 -32.764 20.206 { ca arg a 396 B54.45}38.918 -29.596 21.906 { ca leu a 397 B42.04}35.367 -30.232 20.742 { ca arg a 398 B56.38}35.478 -33.804 22.023 { ca asp a 399 B71.21}36.709 -32.496 25.377 { ca asn a 400 B71.51}33.804 -30.067 25.620 { ca lys a 401 B69.99}31.123 -32.670 24.925 { ca gly a 402 B76.68}32.531 -35.037 27.538 { ca thr a 403 B78.55}31.673 -37.946 25.270 { ca pro a 404 B81.29}34.425 -40.514 24.532 { ca arg a 405 B71.24}34.076 -40.455 20.776 { ca leu a 406 B63.88}33.187 -37.559 18.519 { ca arg a 407 B63.08}30.884 -37.069 15.588 { ca thr a 408 B48.88}31.030 -33.729 13.821 { ca thr a 409 B37.86}30.850 -32.211 10.365 { ca val a 410 B23.73}33.405 -29.737 9.043 { ca gly a 411 B31.82}32.641 -27.168 6.368 { ca val a 412 B31.34}35.410 -26.563 3.822 { ca asp a 413 B30.31}36.253 -24.228 0.974 { ca gly a 414 B41.73}39.226 -22.719 -0.843 { ca ser a 415 B41.03}40.918 -23.174 -4.227 { ca leu a 416 B37.40}43.878 -25.342 -3.245 { ca tyr a 417 B37.54}41.443 -27.788 -1.607 { ca lys a 418 B48.07}38.741 -27.471 -4.216 { ca thr a 419 B56.97}41.199 -27.715 -7.128 { ca his a 420 B53.99}44.159 -30.037 -6.526 { ca pro a 421 B60.32}44.259 -33.816 -7.295 { ca gln a 422 B62.02}45.845 -35.074 -4.060 { ca tyr a 423 B64.56}45.460 -32.464 -1.309 { ca ser a 424 B56.58}41.954 -33.336 -0.126 { ca arg a 425 B64.33}42.890 -37.018 -0.302 { ca arg a 426 B67.47}46.060 -36.905 1.802 { ca phe a 427 B63.10}44.576 -34.291 4.118 { ca his a 428 B62.42}41.722 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ca ala a 475 B16.63}15.008 8.122 23.693 { ca his a 476 B19.04}12.041 9.873 25.299 { ca phe a 477 B12.46}13.925 9.892 28.569 { ca his a 478 B25.21}16.769 11.907 27.079 { ca leu a 479 B20.38}16.792 15.631 27.733 { ca thr a 480 B19.98}19.017 18.003 25.786 { ca lys a 481 B25.43}20.866 20.912 27.400 { ca asp a 482 B24.80}18.298 23.084 25.683 { ca met a 483 B21.19}15.414 21.127 27.186 { ca leu a 484 B17.21}17.054 21.514 30.577 { ca leu a 485 B21.27}17.270 25.283 30.211 { ca glu a 486 B25.52}13.541 25.420 29.409 { ca val a 487 B25.15}12.728 23.462 32.580 { ca lys a 488 B25.46}14.956 25.877 34.486 { ca lys a 489 B20.99}13.140 28.738 32.814 { ca arg a 490 B22.20}9.721 27.305 33.696 { ca met a 491 B24.26}10.813 26.610 37.261 { ca arg a 492 B22.85}11.628 30.312 37.670 { ca ala a 493 B16.30}8.338 31.534 36.171 { ca glu a 494 B19.31}6.418 29.296 38.578 { ca met a 495 B27.15}8.613 30.391 41.478 { ca glu a 496 B37.51}7.449 33.948 40.921 { ca leu a 497 B27.49}3.724 33.261 40.446 { ca gly a 498 B33.87}3.838 31.760 43.914 { ca leu a 499 B36.74}5.547 34.675 45.690 { ca arg a 500 B40.59}3.275 37.361 44.176 { ca lys a 501 B57.83}0.180 37.606 46.362 { ca gln a 502 B63.38}-1.986 38.376 43.332 { ca thr a 503 B48.79}-1.028 35.171 41.552 { ca his a 504 B47.73}-0.241 32.933 44.537 { ca asn a 505 B70.78}-3.883 31.882 44.638 { ca asn a 506 B61.90}-3.479 29.646 41.611 { ca ala a 507 B44.47}0.256 28.943 41.561 { ca val a 508 B33.66}1.340 25.272 41.623 { ca val a 509 B23.42}4.672 25.913 43.352 { ca lys a 510 B22.38}3.147 27.479 46.473 { ca met a 511 B25.98}6.366 29.006 47.812 { ca leu a 512 B28.93}5.115 28.713 51.402 { ca pro a 513 B33.24}6.848 30.942 54.001 { ca ser a 514 B26.39}8.308 29.129 57.011 { ca phe a 515 B33.57}8.634 32.100 59.355 { ca val a 516 B30.11}12.335 31.359 59.903 { ca arg a 517 B40.27}14.180 34.582 59.076 { ca arg a 518 B43.68}17.781 33.808 59.925 { ca thr a 519 B45.72}20.244 30.952 59.990 { ca pro a 520 B48.90}21.739 30.093 63.408 { ca asp a 521 B51.23}23.430 33.076 65.036 { ca gly a 522 B48.60}25.334 30.978 67.568 { ca thr a 523 B47.36}23.368 31.948 70.647 { ca glu a 524 B41.73}20.774 29.188 70.529 { ca asn a 525 B43.76}20.804 27.468 73.918 { ca gly a 526 B31.27}18.711 24.919 75.799 { ca asp a 527 B36.31}17.081 21.506 75.885 { ca phe a 528 B30.55}14.432 20.539 73.331 { ca leu a 529 B27.71}12.377 17.612 72.079 { ca ala a 530 B23.70}11.831 17.141 68.339 { ca leu a 531 B25.18}9.643 15.064 66.072 { ca asp a 532 B27.09}10.536 13.732 62.660 { ca leu a 533 B24.21}7.532 12.570 60.651 { ca gly a 534 B22.66}7.355 12.242 56.871 { ca gly a 535 B22.24}10.503 10.421 55.769 { ca thr a 536 B14.04}11.136 6.656 55.875 { ca asn a 537 B17.76}11.597 6.534 59.636 { ca phe a 538 B17.75}9.383 8.314 62.150 { ca arg a 539 B17.24}11.619 9.158 65.100 { ca val a 540 B24.66}11.524 11.105 68.386 { ca leu a 541 B24.35}14.540 13.066 69.616 { ca leu a 542 B24.10}16.028 14.935 72.549 { ca val a 543 B29.28}18.515 17.702 71.662 { ca lys a 544 B31.99}20.651 19.795 74.008 { ca ile a 545 B32.41}22.363 22.900 72.630 { ca arg a 546 B52.27}25.019 24.775 74.581 { ca ser a 547 B72.41}26.774 27.851 73.189 { ca gly a 548 B87.48}29.501 30.358 73.936 { ca lys a 549 B91.35}32.660 29.047 75.574 { ca lys a 550 B85.89}31.726 25.389 75.302 { ca arg a 551 B68.36}29.507 25.323 72.236 { ca thr a 552 B47.34}28.054 21.822 71.956 { ca val a 553 B46.03}25.086 19.757 70.722 { ca glu a 554 B40.21}24.002 16.477 72.291 { ca met a 555 B38.72}21.114 14.569 70.773 { ca his a 556 B32.71}19.491 11.195 71.373 { ca asn a 557 B32.34}16.693 9.693 69.323 { ca lys a 558 B16.60}14.707 6.526 68.884 { ca ile a 559 B21.85}12.810 5.190 65.906 { ca tyr a 560 B27.79}9.179 4.180 66.167 { ca ala a 561 B28.26}7.233 2.267 63.528 { ca ile a 562 B34.31}3.879 3.445 62.172 { ca pro a 563 B42.87}1.678 0.754 60.577 { ca ile a 564 B46.09}0.565 1.756 57.092 { ca glu a 565 B50.36}-2.943 1.172 58.423 { ca ile a 566 B42.62}-2.477 4.033 60.861 { ca met a 567 B42.51}-0.700 5.994 58.138 { ca gln a 568 B52.75}-3.850 5.835 56.039 { ca gly a 569 B55.25}-6.226 5.448 58.961 { ca thr a 570 B46.17}-7.755 8.430 60.712 { ca gly a 571 B49.01}-6.179 11.622 61.987 { ca glu a 572 B59.74}-7.330 10.516 65.435 { ca glu a 573 B56.83}-5.455 7.216 65.618 { ca leu a 574 B38.54}-2.496 8.728 63.796 { ca phe a 575 B30.08}-1.819 11.560 66.241 { ca asp a 576 B38.48}-2.798 9.356 69.150 { ca his a 577 B35.51}-0.116 6.912 68.075 { ca ile a 578 B25.77}2.412 9.730 67.769 { ca val a 579 B45.35}1.765 10.943 71.311 { ca ser a 580 B53.35}2.071 7.396 72.596 { ca cys a 581 B40.11}5.544 7.242 71.046 { ca ile a 582 B31.00}6.343 10.642 72.514 { ca ser a 583 B45.61}5.397 9.260 75.901 { ca asp a 584 B41.15}7.530 6.115 75.715 { ca phe a 585 B35.76}10.548 8.145 74.638 { ca leu a 586 B39.29}10.083 10.542 77.574 { ca asp a 587 B45.06}10.365 7.499 79.825 { ca tyr a 588 B46.75}13.326 6.227 77.775 { ca met a 589 B41.94}15.232 9.459 78.173 { ca gly a 590 B62.16}13.808 9.760 81.692 { ca ile a 591 B57.78}12.887 13.413 81.153 { ca lys a 592 B62.17}9.198 12.619 81.653 { ca gly a 593 B71.87}7.932 15.427 83.868 { ca pro a 594 B71.38}8.595 19.130 83.116 { ca arg a 595 B63.29}7.130 21.143 80.233 { ca met a 596 B48.10}9.712 20.938 77.430 { ca pro a 597 B37.33}9.550 22.987 74.209 { ca leu a 598 B34.63}9.067 20.839 71.125 { ca gly a 599 B30.75}9.876 21.267 67.450 { ca phe a 600 B27.19}7.655 19.323 65.056 { ca thr a 601 B21.61}9.233 18.361 61.698 { ca phe a 602 B20.73}6.215 17.595 59.508 { ca ser a 603 B20.14}7.350 16.926 55.918 { ca phe a 604 B13.90}4.151 18.006 54.163 { ca pro a 605 B19.52}2.749 21.216 52.630 { ca cys a 606 B31.82}1.462 23.467 55.400 { ca gln a 607 B38.50}0.130 27.034 55.316 { ca gln a 608 B39.10}1.865 29.012 58.063 { ca thr a 609 B46.89}0.646 32.106 59.870 { ca ser a 610 B49.11}3.435 31.901 62.395 { ca leu a 611 B39.87}6.188 29.554 63.517 { ca asp a 612 B49.04}3.590 27.487 65.399 { ca ala a 613 B37.76}0.588 27.248 63.098 { ca gly a 614 B34.22}0.379 24.889 60.174 { ca ile a 615 B36.35}-2.685 24.038 58.139 { ca leu a 616 B28.61}-2.081 20.776 56.292 { ca ile a 617 B20.50}-2.762 21.899 52.736 { ca thr a 618 B20.34}-2.743 18.338 51.320 { ca trp a 619 B22.08}-1.150 14.946 51.844 { ca thr a 620 B13.99}1.756 13.755 49.733 { ca lys a 621 B16.66}3.853 10.623 49.375 { ca gly a 622 B22.84}2.180 7.633 51.011 { ca phe a 623 B21.28}0.323 9.317 53.857 { ca lys a 624 B39.64}-3.456 9.501 53.712 { ca ala a 625 B35.24}-4.962 9.913 57.202 { ca thr a 626 B40.61}-8.555 11.190 57.358 { ca asp a 627 B46.98}-9.732 14.447 58.944 { ca cys a 628 B36.96}-6.276 16.030 58.806 { ca val a 629 B33.47}-6.247 18.028 55.622 { ca gly a 630 B37.87}-7.556 21.473 56.436 { ca his a 631 B42.03}-6.663 21.360 60.129 { ca asp a 632 B36.80}-3.748 22.833 62.036 { ca val a 633 B40.71}-1.272 20.043 62.758 { ca val a 634 B33.06}0.005 21.804 65.892 { ca thr a 635 B39.40}-3.489 21.777 67.265 { ca leu a 636 B37.45}-4.126 18.255 66.009 { ca leu a 637 B39.29}-1.107 17.279 68.076 { ca arg a 638 B52.26}-1.954 19.526 71.014 { ca asp a 639 B46.48}-5.320 17.783 71.365 { ca ala a 640 B50.81}-3.919 14.260 71.240 { ca ile a 641 B57.90}-1.595 15.359 74.035 { ca lys a 642 B71.45}-4.435 16.767 76.163 { ca arg a 643 B70.73}-6.451 13.584 75.646 { ca arg a 644 B84.57}-3.758 11.280 77.017 { ca glu a 645 B92.34}-3.059 13.510 80.003 { ca glu a 646 B88.75}0.295 11.845 80.682 { ca phe a 647 B77.60}2.516 14.901 80.298 { ca asp a 648 B74.10}2.583 18.482 79.050 { ca leu a 649 B61.99}4.506 19.960 76.168 { ca asp a 650 B58.88}5.275 23.327 74.645 { ca val a 651 B43.95}4.933 22.997 70.835 { ca val a 652 B46.64}7.053 25.984 69.869 { ca ala a 653 B32.61}7.344 25.225 66.184 { ca val a 654 B27.34}6.379 23.252 63.109 { ca val a 655 B29.09}9.076 22.731 60.444 { ca asn a 656 B18.30}9.487 21.155 56.998 { ca asp a 657 B14.61}12.419 18.744 56.595 { ca thr a 658 B15.93}13.982 20.845 53.867 { ca val a 659 B20.11}14.106 23.815 56.221 { ca gly a 660 B18.86}15.173 21.590 59.112 { ca thr a 661 B18.79}17.986 20.252 56.907 { ca met a 662 B19.25}19.166 23.741 55.877 { ca met a 663 B24.43}19.469 24.815 59.503 { ca thr a 664 B22.80}21.301 21.640 60.469 { ca cys a 665 B26.61}23.921 22.361 57.796 { ca ala a 666 B27.87}23.978 26.112 58.317 { ca tyr a 667 B22.97}24.811 25.480 61.967 { ca glu a 668 B36.43}28.344 24.636 60.790 { ca glu a 669 B27.44}28.404 26.181 57.311 { ca pro a 670 B32.34}27.310 29.865 57.330 { ca thr a 671 B28.27}26.975 29.983 53.547 { ca cys a 672 B24.35}24.306 27.274 53.566 { ca glu a 673 B34.55}21.176 29.107 52.384 { ca val a 674 B21.15}19.437 26.302 50.509 { ca gly a 675 B17.29}17.841 23.073 51.660 { ca leu a 676 B15.46}17.194 20.018 49.524 { ca ile a 677 B9.51}15.625 16.625 50.004 { ca val a 678 B11.22}15.680 13.741 47.545 { ca gly a 679 B10.14}14.342 10.677 49.307 { ca thr a 680 B12.36}10.801 9.361 49.485 { ca gly a 681 B8.45}9.722 12.651 47.951 { ca ser a 682 B13.72}11.702 15.669 46.753 { ca asn a 683 B14.72}11.423 19.297 47.805 { ca ala a 684 B21.89}13.626 22.373 48.135 { ca cys a 685 B22.78}13.858 25.558 50.182 { ca tyr a 686 B27.66}15.932 28.716 50.239 { ca met a 687 B24.12}16.295 32.227 51.743 { ca glu a 688 B25.14}14.120 34.771 49.924 { ca glu a 689 B24.42}14.219 38.560 50.408 { ca met a 690 B26.82}11.326 39.748 52.550 { ca lys a 691 B37.76}10.528 42.341 49.875 { ca asn a 692 B35.80}9.723 39.528 47.452 { ca val a 693 B33.52}7.476 37.539 49.809 { ca glu a 694 B29.91}4.328 39.537 48.978 { ca met a 695 B40.36}2.331 37.130 51.155 { ca val a 696 B50.15}3.974 38.204 54.428 { ca glu a 697 B61.06}3.936 41.881 55.517 { ca gly a 698 B57.77}7.267 43.651 55.410 { ca asp a 699 B61.22}10.317 43.987 53.180 { ca gln a 700 B61.52}13.012 43.773 55.813 { ca gly a 701 B52.20}15.556 41.046 55.943 { ca gln a 702 B36.28}14.719 37.585 54.659 { ca met a 703 B30.38}12.458 34.590 55.121 { ca cys a 704 B30.89}12.905 30.860 54.508 { ca ile a 705 B25.95}10.651 29.705 51.687 { ca asn a 706 B16.74}9.483 26.088 51.567 { ca met a 707 B8.36}8.951 25.849 47.810 { ca glu a 708 B23.65}7.081 22.544 47.770 { ca trp a 709 B17.03}8.434 22.151 44.214 { ca gly a 710 B8.80}7.176 18.606 43.868 { ca ala a 711 B14.91}3.977 20.095 42.539 { ca phe a 712 B5.22}5.850 21.683 39.663 { ca gly a 713 B16.58}4.125 20.521 36.502 { ca asp a 714 B16.58}0.779 19.908 38.147 { ca asn a 715 B29.54}-0.642 22.524 35.773 { ca gly a 716 B21.48}0.777 20.851 32.668 { ca cys a 717 B25.08}3.979 22.839 32.150 { ca leu a 718 B15.25}5.836 19.508 32.064 { ca asp a 719 B25.71}3.467 17.460 29.906 { ca asp a 720 B31.47}6.077 18.454 27.377 { ca ile a 721 B22.99}8.595 15.864 28.605 { ca arg a 722 B5.00}6.404 13.433 30.549 { ca thr a 723 B5.00}6.008 9.976 29.020 { ca his a 724 B11.16}3.452 7.205 28.778 { ca tyr a 725 B5.00}5.198 5.527 31.674 { ca asp a 726 B9.67}5.165 8.698 33.752 { ca arg a 727 B5.00}1.435 9.028 33.171 { ca leu a 728 B8.88}0.714 5.406 34.084 { ca val a 729 B13.86}2.726 5.804 37.326 { ca asp a 730 B15.46}0.792 8.983 38.080 { ca glu a 731 B5.00}-2.565 7.469 37.191 { ca tyr a 732 B6.10}-2.108 4.712 39.730 { ca ser a 733 B8.95}-0.708 6.778 42.611 { ca leu a 734 B19.67}-2.616 7.660 45.779 { ca asn a 735 B14.16}-2.705 11.225 44.487 { ca ala a 736 B8.25}-3.354 11.007 40.774 { ca gly a 737 B17.58}-2.676 14.338 39.162 { ca lys a 738 B15.65}-0.541 15.957 41.839 { ca gln a 739 B13.96}3.198 16.174 42.487 { ca arg a 740 B17.39}4.086 15.373 38.879 { ca tyr a 741 B15.60}7.691 16.703 39.114 { ca glu a 742 B10.58}8.628 14.870 42.301 { ca lys a 743 B11.00}7.228 11.742 40.621 { ca met a 744 B5.00}9.999 11.825 37.980 { ca ile a 745 B5.00}12.626 12.218 40.733 { ca ser a 746 B10.43}12.068 10.698 44.186 { ca gly a 747 B6.88}12.866 7.205 45.370 { ca met a 748 B11.07}9.247 6.304 45.980 { ca tyr a 749 B13.32}8.437 6.558 42.274 { ca leu a 750 B5.00}11.563 5.953 40.198 { ca gly a 751 B9.33}11.187 2.219 40.679 { ca glu a 752 B8.76}7.620 2.283 39.332 { ca ile a 753 B11.76}8.640 4.080 36.167 { ca val a 754 B11.02}11.148 1.278 35.613 { ca arg a 755 B10.18}8.729 -1.559 36.406 { ca asn a 756 B10.94}6.288 -0.080 33.932 { ca ile a 757 B12.87}8.897 0.204 31.216 { ca leu a 758 B16.14}9.940 -3.403 31.860 { ca ile a 759 B16.08}6.410 -4.822 31.671 { ca asp a 760 B20.29}5.983 -3.121 28.300 { ca phe a 761 B24.31}9.264 -4.509 26.911 { ca thr a 762 B17.13}8.262 -7.964 28.208 { ca lys a 763 B17.48}4.895 -7.885 26.443 { ca lys a 764 B31.77}6.737 -6.919 23.247 { ca gly a 765 B22.24}8.907 -9.981 23.805 { ca phe a 766 B23.38}12.200 -8.201 24.546 { ca leu a 767 B22.50}12.651 -9.451 28.118 { ca phe a 768 B33.35}12.148 -12.672 30.055 { ca arg a 769 B59.91}10.907 -14.574 26.990 { ca gly a 770 B44.86}7.754 -12.402 27.012 { ca gln a 771 B53.12}6.384 -13.748 30.286 { ca ile a 772 B36.63}4.970 -11.171 32.738 { ca ser a 773 B39.83}5.598 -12.682 36.167 { ca glu a 774 B51.65}3.774 -12.033 39.424 { ca thr a 775 B37.69}6.850 -10.276 40.796 { ca leu a 776 B22.95}6.898 -7.910 37.829 { ca lys a 777 B30.02}3.275 -7.166 38.670 { ca thr a 778 B31.63}4.047 -6.354 42.292 { ca arg a 779 B35.82}4.188 -2.620 42.765 { ca gly a 780 B32.68}7.085 -1.267 44.853 { ca ile a 781 B26.15}9.310 -4.153 43.879 { ca phe a 782 B22.97}12.175 -1.873 42.828 { ca glu a 783 B28.08}13.215 -0.202 46.104 { ca thr a 784 B25.29}15.717 2.686 46.211 { ca lys a 785 B30.89}18.141 0.207 47.718 { ca phe a 786 B27.14}17.939 -2.042 44.653 { ca leu a 787 B21.37}18.072 0.660 41.994 { ca ser a 788 B13.69}21.266 1.712 43.718 { ca gln a 789 B19.61}22.872 -1.753 43.766 { ca ile a 790 B23.15}21.968 -2.563 40.148 { ca glu a 791 B26.81}23.658 0.607 38.951 { ca ser a 792 B27.68}26.836 0.165 40.989 { ca asp a 793 B54.91}29.844 0.455 38.719 { ca arg a 794 B62.29}31.792 -2.062 40.780 { ca leu a 795 B36.87}29.139 -4.644 39.918 { ca ala a 796 B31.87}29.535 -7.433 37.379 { ca leu a 797 B31.80}26.835 -8.766 35.034 { ca leu a 798 B29.18}26.872 -12.100 36.810 { ca gln a 799 B33.13}26.052 -10.198 40.005 { ca val a 800 B16.63}23.294 -8.092 38.431 { ca arg a 801 B25.37}21.599 -11.288 37.180 { ca ala a 802 B23.36}21.936 -12.685 40.663 { ca ile a 803 B28.38}20.210 -9.725 42.306 { ca leu a 804 B30.78}17.402 -9.864 39.774 { ca gln a 805 B38.77}16.821 -13.569 40.304 { ca gln a 806 B54.77}16.650 -12.946 44.033 { ca leu a 807 B48.92}13.789 -10.538 43.339 { ca gly a 808 B38.43}11.943 -13.333 41.591 { ca leu a 809 B42.69}12.823 -12.362 38.044 { ca asn a 810 B56.97}14.226 -15.220 35.965 { ca ser a 811 B36.74}16.720 -13.277 33.904 { ca thr a 812 B30.56}19.368 -14.312 31.464 { ca cys a 813 B29.37}22.505 -12.260 31.096 { ca asp a 814 B28.86}21.054 -10.428 28.077 { ca asp a 815 B15.31}18.020 -9.550 30.196 { ca ser a 816 B12.58}20.187 -8.168 32.969 { ca ile a 817 B17.42}21.937 -5.889 30.517 { ca leu a 818 B13.28}18.676 -4.355 29.360 { ca val a 819 B7.13}17.306 -3.935 32.873 { ca lys a 820 B10.44}20.410 -2.158 34.115 { ca thr a 821 B15.05}20.255 0.104 31.068 { ca val a 822 B18.54}16.640 1.001 31.714 { ca cys a 823 B10.33}17.477 1.826 35.344 { ca gly a 824 B5.00}20.237 4.120 34.154 { ca val a 825 B8.68}18.195 6.102 31.688 { ca val a 826 B14.60}15.506 6.715 34.290 { ca ser a 827 B16.16}17.857 7.572 37.154 { ca arg a 828 B9.96}19.883 9.886 34.924 { ca arg a 829 B6.47}16.843 11.859 33.802 { ca ala a 830 B6.50}15.848 12.186 37.443 { ca ala a 831 B7.52}19.178 13.803 38.369 { ca gln a 832 B5.61}19.104 16.225 35.415 { ca leu a 833 B6.81}15.543 17.366 36.050 { ca cys a 834 B11.80}16.448 17.855 39.688 { ca gly a 835 B5.00}19.529 19.835 38.708 { ca ala a 836 B9.51}17.552 22.099 36.395 { ca gly a 837 B14.86}15.271 22.731 39.365 { ca met a 838 B16.95}18.101 23.567 41.774 { ca ala a 839 B16.02}19.803 25.579 39.028 { ca ala a 840 B23.75}16.782 27.877 38.896 { ca val a 841 B23.88}16.892 28.367 42.656 { ca val a 842 B25.15}20.573 29.363 42.999 { ca asp a 843 B28.59}20.422 31.757 40.052 { ca lys a 844 B28.71}17.510 33.541 41.681 { ca ile a 845 B24.75}19.423 33.924 44.927 { ca arg a 846 B38.69}22.214 35.417 42.817 { ca glu a 847 B45.54}20.013 37.886 40.942 { ca asn a 848 B50.96}18.356 38.873 44.220 { ca arg a 849 B55.09}21.788 39.745 45.657 { ca gly a 850 B52.28}22.535 41.469 42.351 { ca leu a 851 B48.38}25.741 39.449 41.943 { ca asp a 852 B60.19}27.605 38.351 38.830 { ca arg a 853 B54.09}28.896 35.358 40.703 { ca leu a 854 B35.90}27.482 33.669 43.774 { ca asn a 855 B35.83}29.025 31.103 46.103 { ca val a 856 B31.15}26.475 29.139 48.094 { ca thr a 857 B21.46}26.322 25.716 49.679 { ca val a 858 B15.31}23.240 23.488 49.809 { ca gly a 859 B17.78}22.209 21.283 52.745 { ca val a 860 B13.79}21.126 17.840 51.480 { ca asp a 861 B7.55}19.472 14.690 52.759 { ca gly a 862 B6.42}17.471 11.754 51.404 { ca thr a 863 B12.43}18.130 8.030 50.943 { ca leu a 864 B5.38}18.086 8.182 47.141 { ca tyr a 865 B8.88}20.706 10.960 47.271 { ca lys a 866 B9.24}22.865 9.145 49.814 { ca leu a 867 B7.30}22.767 5.619 48.341 { ca his a 868 B6.56}22.566 6.116 44.605 { ca pro a 869 B13.51}25.964 5.732 42.835 { ca his a 870 B12.72}25.381 8.457 40.227 { ca phe a 871 B7.64}22.459 10.747 41.110 { ca ser a 872 B5.63}24.426 13.363 43.048 { ca arg a 873 B11.62}27.299 13.433 40.588 { ca ile a 874 B5.14}25.102 13.931 37.543 { ca met a 875 B19.56}23.046 16.401 39.531 { ca his a 876 B19.75}25.956 18.569 40.613 { ca gln a 877 B22.72}27.248 18.468 37.020 { ca thr a 878 B18.04}23.939 19.742 35.665 { ca val a 879 B22.50}23.611 22.618 38.095 { ca lys a 880 B40.05}27.141 23.688 37.147 { ca glu a 881 B30.69}26.219 23.601 33.471 { ca leu a 882 B26.02}22.920 25.478 33.779 { ca ser a 883 B22.13}24.057 28.133 36.257 { ca pro a 884 B28.08}27.735 28.828 35.421 { ca lys a 885 B32.79}27.587 32.030 37.411 { ca cys a 886 B26.78}27.092 30.202 40.738 { ca asn a 887 B32.57}29.580 28.020 42.578 { ca val a 888 B20.79}27.337 25.642 44.504 { ca ser a 889 B19.01}28.539 23.169 47.077 { ca phe a 890 B20.22}26.455 20.383 48.521 { ca leu a 891 B17.95}26.925 19.537 52.166 { ca leu a 892 B13.21}25.267 16.331 53.372 { ca ser a 893 B17.81}23.301 16.336 56.592 { ca glu a 894 B29.28}24.500 13.380 58.671 { ca asp a 895 B43.58}22.555 14.225 61.831 { ca gly a 896 B35.62}19.144 14.618 60.222 { ca ser a 897 B29.11}16.573 17.394 60.548 { ca gly a 898 B29.14}16.393 17.137 64.326 { ca lys a 899 B28.06}19.380 19.401 64.973 { ca gly a 900 B24.06}17.832 22.106 62.786 { ca ala a 901 B28.48}14.350 21.753 64.266 { ca ala a 902 B28.27}15.699 22.330 67.794 { ca leu a 903 B25.05}17.757 25.292 66.544 { ca ile a 904 B25.82}14.481 26.779 65.273 { ca thr a 905 B31.83}12.559 25.857 68.399 { ca ala a 906 B33.08}15.143 27.818 70.377 { ca val a 907 B37.71}14.417 31.061 68.559 { ca gly a 908 B44.44}10.728 30.282 68.633 { ca val a 909 B59.64}10.965 30.274 72.419 { ca arg a 910 B68.92}13.238 33.316 72.523 { ca leu a 911 B87.93}10.563 35.266 70.636 { ca arg a 912 B98.87}7.752 33.798 72.736 { ca thr a 913 B100.00}9.414 34.765 76.031 { ca glu a 914 B100.00}9.966 38.267 74.682 @subgroup {het groups} master= {hets} @spherelist {het M} color= gray nobutton master= {hets} radius= 0.500 {Ca ca a 919 } green 32.640 -15.823 29.342 {Ca ca a 920 }6.717 40.893 52.008 @vectorlist {het} color= pink master= {hets} { c1 glc a 915 B49.35}P 43.699 -15.627 6.267 {"}43.699 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B65.19}37.148 -17.341 0.655 { c1 glc a 917 B19.75}P 7.362 16.377 49.667 {"}7.362 16.377 49.667 { c2 glc a 917 B22.51}6.588 17.076 50.755 { c3 glc a 917 B20.73}7.527 18.125 51.349 { c4 glc a 917 B16.70}8.807 17.444 51.875 { c5 glc a 917 B14.44}9.412 16.494 50.846 { c6 glc a 917 B13.47}10.464 15.607 51.458 { c1 glc a 917 B19.75}P 7.362 16.377 49.667 { o1 glc a 917 B32.17}6.547 15.518 48.971 { c2 glc a 917 B22.51}P 6.588 17.076 50.755 { o2 glc a 917 B24.41}5.422 17.672 50.223 { c3 glc a 917 B20.73}P 7.527 18.125 51.349 { o3 glc a 917 B28.17}6.872 18.806 52.410 { c4 glc a 917 B16.70}P 8.807 17.444 51.875 { o4 glc a 917 B22.15}9.771 18.429 52.189 { c1 glc a 917 B19.75}P 7.362 16.377 49.667 { o5 glc a 917 B20.69}8.400 15.627 50.287 { c6 glc a 917 B13.47}P 10.464 15.607 51.458 { o6 glc a 917 B17.93}9.858 14.572 52.211 { c5 glc a 917 B14.44}P 9.412 16.494 50.846 { o5 glc a 917 B20.69}8.400 15.627 50.287 { c1 g6p a 918 B13.60}P 13.113 14.104 56.446 {"}13.113 14.104 56.446 { c2 g6p a 918 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14.784 12.969 55.208 { o5 g6p a 918 B8.29}13.385 13.083 55.491 {Ca ca a 919 B60.00}P 32.640 -15.823 29.342 {"}32.640 -15.823 29.342 {Ca ca a 920 B70.31}P 6.717 40.893 52.008 {"}6.717 40.893 52.008 @group {transition he} dominant @subgroup {mainchain} @balllist {mc N} color= sky nobutton master= {mainchain} master= {atoms} off radius= 0.200 { n asp a 251 }28.002 -17.146 30.311 @balllist {mc O} color= red nobutton master= {mainchain} master= {atoms} off radius= 0.200 { o asp a 251 }27.303 -20.616 30.219 @vectorlist {mc} color= white master= {mainchain} off { n asp a 251 }P 28.002 -17.146 30.311 {"}28.002 -17.146 30.311 { ca asp a 251 }28.427 -18.519 30.534 { c asp a 251 }27.335 -19.408 29.978 { o asp a 251 }27.303 -20.616 30.219 { n gly a 448 }P 29.388 -21.320 -1.550 {"}29.388 -21.320 -1.550 { ca gly a 448 }30.325 -20.284 -1.157 { c gly a 448 }29.939 -19.789 0.222 { o gly a 448 }29.201 -20.467 0.936 { c gly a 448 }P 29.939 -19.789 0.222 { n ser a 449 }30.415 -18.610 0.600 { ca ser a 449 }30.088 -18.055 1.904 { c ser a 449 }28.717 -17.380 1.903 { o ser a 449 }28.016 -17.393 2.916 { c ser a 449 }P 28.717 -17.380 1.903 { n gly a 450 }28.343 -16.806 0.759 { ca gly a 450 }27.066 -16.121 0.617 { c gly a 450 }25.876 -16.673 1.390 { o gly a 450 }25.246 -15.955 2.167 { c gly a 450 }P 25.876 -16.673 1.390 { n lys a 451 }25.545 -17.941 1.189 { ca lys a 451 }24.413 -18.498 1.910 { c lys a 451 }24.608 -18.299 3.406 { o lys a 451 }23.737 -17.750 4.080 { c lys a 451 }P 24.608 -18.299 3.406 { n gly a 452 }25.759 -18.734 3.915 { ca gly a 452 }26.066 -18.587 5.335 { c gly a 452 }26.089 -17.154 5.877 { o gly a 452 }25.658 -16.918 6.999 { c gly a 452 }P 26.089 -17.154 5.877 { n ala a 453 }26.606 -16.203 5.105 { ca ala a 453 }26.625 -14.822 5.542 { c ala a 453 }25.179 -14.395 5.710 { o ala a 453 }24.783 -13.871 6.758 { c ala a 453 }P 25.179 -14.395 5.710 { n ala a 454 }24.391 -14.628 4.664 { ca ala a 454 }22.981 -14.269 4.668 { c ala a 454 }22.264 -14.862 5.871 { o ala a 454 }21.411 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-11.221 12.764 { ca ala a 460 }21.602 -9.952 13.175 { c ala a 460 }20.547 -8.869 13.010 { o ala a 460 }20.285 -8.098 13.936 { c ala a 460 }P 20.547 -8.869 13.010 { n tyr a 461 }19.945 -8.826 11.826 { ca tyr a 461 }18.907 -7.855 11.520 { c tyr a 461 }17.717 -8.040 12.460 { o tyr a 461 }17.102 -7.076 12.906 { c tyr a 461 }P 17.717 -8.040 12.460 { n arg a 462 }17.391 -9.286 12.765 { ca arg a 462 }16.281 -9.553 13.659 { c arg a 462 }16.527 -8.837 14.982 { o arg a 462 }15.620 -8.221 15.538 { c arg a 462 }P 16.527 -8.837 14.982 { n leu a 463 }17.758 -8.904 15.476 { ca leu a 463 }18.091 -8.260 16.734 { c leu a 463 }18.216 -6.741 16.613 { o leu a 463 }18.047 -6.045 17.605 { c leu a 463 }P 18.216 -6.741 16.613 { n ala a 464 }18.474 -6.230 15.403 { ca ala a 464 }18.628 -4.784 15.159 { c ala a 464 }17.321 -4.010 15.249 { o ala a 464 }17.297 -2.891 15.756 { c ala a 464 }P 17.321 -4.010 15.249 { n glu a 465 }16.242 -4.589 14.728 { ca glu a 465 }14.942 -3.931 14.790 { c glu a 465 }14.517 -3.907 16.242 { o glu a 465 }13.982 -2.917 16.724 { c glu a 465 }P 14.517 -3.907 16.242 { n gln a 466 }14.765 -5.006 16.937 { ca gln a 466 }14.437 -5.073 18.339 { c gln a 466 }15.129 -3.888 18.978 { o gln a 466 }14.505 -3.098 19.679 { c gln a 466 }P 15.129 -3.888 18.978 { n his a 467 }16.424 -3.754 18.708 { ca his a 467 }17.211 -2.662 19.266 { c his a 467 }16.683 -1.310 18.858 { o his a 467 }16.537 -0.436 19.695 { c his a 467 }P 16.683 -1.310 18.858 { n arg a 468 }16.396 -1.131 17.577 { ca arg a 468 }15.890 0.147 17.113 { c arg a 468 }14.681 0.553 17.943 { o arg a 468 }14.552 1.712 18.352 { c arg a 468 }P 14.681 0.553 17.943 { n gln a 469 }13.810 -0.415 18.207 { ca gln a 469 }12.597 -0.166 18.968 { c gln a 469 }12.849 0.190 20.422 { o gln a 469 }12.229 1.102 20.980 { c gln a 469 }P 12.849 0.190 20.422 { n ile a 470 }13.760 -0.536 21.042 { ca ile a 470 }14.103 -0.288 22.434 { c ile a 470 }14.679 1.113 22.600 { o ile a 470 }14.357 1.809 23.549 { c ile a 470 }P 14.679 1.113 22.600 { n glu a 471 }15.524 1.524 21.663 { ca glu a 471 }16.151 2.832 21.715 { c glu a 471 }15.159 3.934 21.445 { o glu a 471 }15.229 4.997 22.050 { c glu a 471 }P 15.159 3.934 21.445 { n glu a 472 }14.232 3.691 20.533 { ca glu a 472 }13.237 4.705 20.223 { c glu a 472 }12.457 5.065 21.480 { o glu a 472 }12.197 6.237 21.741 { c glu a 472 }P 12.457 5.065 21.480 { n thr a 473 }12.096 4.047 22.257 { ca thr a 473 }11.349 4.238 23.494 { c thr a 473 }12.176 4.981 24.536 { o thr a 473 }11.757 6.007 25.068 { c thr a 473 }P 12.176 4.981 24.536 { n leu a 474 }13.354 4.452 24.829 { ca leu a 474 }14.235 5.056 25.804 { c leu a 474 }14.626 6.479 25.432 { o leu a 474 }14.911 7.294 26.304 { c leu a 474 }P 14.626 6.479 25.432 { n ala a 475 }14.630 6.787 24.143 { ca ala a 475 }15.008 8.122 23.693 { c ala a 475 }14.128 9.217 24.269 { o ala a 475 }14.532 10.371 24.303 { n arg a 801 }P 22.533 -10.188 37.428 {"}22.533 -10.188 37.428 { ca arg a 801 }21.599 -11.288 37.180 { c arg a 801 }21.232 -12.005 38.468 { o arg a 801 }20.125 -12.529 38.626 @subgroup {sidechain} master= {sidechain} @balllist {sc O} color= red nobutton master= {atoms} master= {sidechain} radius= 0.200 { od1 asp a 251 }26.305 -18.119 32.183 { od2 asp a 251 }27.452 -18.272 34.059 @vectorlist {sc} color= cyan master= {sidechain} { ca asp a 251 }P 28.427 -18.519 30.534 { cb asp a 251 }28.588 -18.771 32.023 { cg asp a 251 }27.360 -18.358 32.812 { od1 asp a 251 }26.305 -18.119 32.183 { cg asp a 251 }P 27.360 -18.358 32.812 { od2 asp a 251 }27.452 -18.272 34.059 { ca ser a 449 }P 30.088 -18.055 1.904 { cb ser a 449 }31.163 -17.055 2.323 { og ser a 449 }32.184 -17.712 3.055 { ca lys a 451 }P 24.413 -18.498 1.910 { cb lys a 451 }24.232 -19.983 1.597 { cg lys a 451 }22.766 -20.406 1.614 { cd lys a 451 }22.588 -21.866 1.959 { ce lys a 451 }22.544 -22.727 0.704 { nz lys a 451 }22.817 -24.170 1.017 { ca ala a 453 }P 26.625 -14.822 5.542 { cb ala a 453 }27.281 -13.955 4.505 { ca ala a 454 }P 22.981 -14.269 4.668 { cb ala a 454 }22.329 -14.737 3.389 { ca met a 455 }P 21.991 -16.751 7.360 { cb met a 455 }22.466 -18.202 7.465 { cg met a 455 }21.750 -19.157 6.533 { sd met a 455 }19.968 -18.869 6.435 { ce met a 455 }19.670 -19.019 4.645 { ca val a 456 }P 23.910 -14.605 9.850 { cb val a 456 }25.441 -14.411 9.851 { cg1 val a 456 }25.860 -13.461 10.974 { cb val a 456 }P 25.441 -14.411 9.851 { cg2 val a 456 }26.121 -15.751 10.027 { ca thr a 457 }P 22.545 -11.316 8.550 { cb thr a 457 }22.619 -10.802 7.111 { og1 thr a 457 }23.993 -10.721 6.718 { cb thr a 457 }P 22.619 -10.802 7.111 { cg2 thr a 457 }21.972 -9.424 6.988 { ca ala a 458 }P 19.001 -12.614 9.001 { cb ala a 458 }18.494 -13.995 8.598 { ca val a 459 }P 19.391 -13.015 12.788 { cb val a 459 }20.164 -14.112 13.523 { cg1 val a 459 }19.989 -13.940 15.017 { cb val a 459 }P 20.164 -14.112 13.523 { cg2 val a 459 }19.672 -15.469 13.085 { ca ala a 460 }P 21.602 -9.952 13.175 { cb ala a 460 }22.816 -9.630 12.323 { ca tyr a 461 }P 18.907 -7.855 11.520 { cb tyr a 461 }18.457 -8.032 10.085 { cg tyr a 461 }17.431 -7.038 9.627 { cd1 tyr a 461 }17.790 -5.732 9.317 { ce1 tyr a 461 }16.845 -4.832 8.807 { cz tyr a 461 }15.529 -5.247 8.609 { oh tyr a 461 }14.591 -4.389 8.078 { cg tyr a 461 }P 17.431 -7.038 9.627 { cd2 tyr a 461 }16.105 -7.424 9.430 { ce2 tyr a 461 }15.155 -6.535 8.921 { cz tyr a 461 }15.529 -5.247 8.609 { ca arg a 462 }P 16.281 -9.553 13.659 { cb arg a 462 }16.139 -11.056 13.896 { cg arg a 462 }14.782 -11.494 14.409 { cd arg a 462 }14.831 -12.945 14.854 { ne arg a 462 }15.503 -13.794 13.868 { cz arg a 462 }15.571 -15.122 13.942 { nh1 arg a 462 }15.008 -15.761 14.960 { cz arg a 462 }P 15.571 -15.122 13.942 { nh2 arg a 462 }16.184 -15.815 12.991 { ca leu a 463 }P 18.091 -8.260 16.734 { cb leu a 463 }19.377 -8.860 17.305 { cg leu a 463 }19.377 -10.387 17.456 { cd1 leu a 463 }20.443 -10.792 18.457 { cg leu a 463 }P 19.377 -10.387 17.456 { cd2 leu a 463 }18.009 -10.891 17.919 { ca ala a 464 }P 18.628 -4.784 15.159 { cb ala a 464 }19.268 -4.535 13.791 { ca glu a 465 }P 14.942 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