Browse entries in the PDBbind-CN Database
HEADER 4UNR_COMPLEX COMPND 4UNR_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 144 MET LEU ILE ALA ILE GLU GLY VAL ASP GLY ALA GLY LYS SEQRES 2 A 144 ARG THR LEU VAL GLU LYS LEU SER GLY ALA PHE ARG ALA SEQRES 3 A 144 ALA GLY ARG SER VAL ALA THR LEU ALA PHE PRO ARG TYR SEQRES 4 A 144 GLY GLN SER VAL ALA ALA ASP ILE ALA ALA GLU ALA LEU SEQRES 5 A 144 HIS GLY GLU HIS GLY ASP LEU ALA SER SER VAL TYR ALA SEQRES 6 A 144 MET ALA THR LEU PHE ALA LEU ASP ARG ALA GLY ALA VAL SEQRES 7 A 144 HIS THR ILE GLN GLY LEU CYS ARG GLY TYR ASP VAL VAL SEQRES 8 A 144 ILE LEU ASP ARG TYR VAL ALA SER ASN ALA ALA TYR SER SEQRES 9 A 144 ALA ALA ARG LEU HIS GLU ASN ALA ALA GLY LYS ALA ALA SEQRES 10 A 144 ALA TRP VAL GLN ARG ILE GLU PHE ALA ARG LEU GLY LEU SEQRES 11 A 144 PRO LYS PRO ASP TRP GLN VAL LEU LEU ALA VAL SER ALA SEQRES 12 A 144 GLU SEQRES 1 A 42 ASP ALA GLU LEU GLN GLN ARG THR GLY ALA VAL TYR ALA SEQRES 2 A 42 GLU LEU ALA ALA GLN GLY TRP GLY GLY ARG TRP LEU VAL SEQRES 3 A 42 VAL GLY ALA ASP VAL ASP PRO GLY ARG LEU ALA ALA THR SEQRES 4 A 42 LEU ALA PRO HET MG A 1 1 HET QZE A 351 44 ATOM 1 N MET A 1 71.418 38.875 21.054 1.00 28.03 N ATOM 2 CA MET A 1 70.001 38.710 21.399 1.00 27.19 C ATOM 3 C MET A 1 69.110 38.738 20.153 1.00 25.03 C ATOM 4 O MET A 1 69.339 39.555 19.275 1.00 25.23 O ATOM 5 CB MET A 1 69.614 39.860 22.292 1.00 28.35 C ATOM 6 CG MET A 1 68.626 39.446 23.330 1.00 32.63 C ATOM 7 SD MET A 1 67.640 40.809 23.816 1.00 40.79 S ATOM 8 CE MET A 1 68.790 42.186 23.808 1.00 41.22 C ATOM 9 HN3 MET A 1 71.553 39.788 20.574 1.00 0.00 H ATOM 10 HN2 MET A 1 71.712 38.103 20.422 1.00 0.00 H ATOM 11 HN1 MET A 1 71.990 38.851 21.922 1.00 0.00 H ATOM 12 N LEU A 2 68.097 37.872 20.094 1.00 22.57 N ATOM 13 CA LEU A 2 67.162 37.800 18.945 1.00 20.58 C ATOM 14 C LEU A 2 65.749 38.188 19.381 1.00 19.63 C ATOM 15 O LEU A 2 65.185 37.562 20.280 1.00 19.89 O ATOM 16 CB LEU A 2 67.126 36.392 18.354 1.00 20.54 C ATOM 17 CG LEU A 2 66.251 36.130 17.127 1.00 18.53 C ATOM 18 CD1 LEU A 2 66.679 37.000 15.934 1.00 19.76 C ATOM 19 CD2 LEU A 2 66.276 34.635 16.757 1.00 18.44 C ATOM 20 H LEU A 2 67.957 37.218 20.890 1.00 0.00 H ATOM 21 N ILE A 3 65.186 39.205 18.739 1.00 18.20 N ATOM 22 CA ILE A 3 63.895 39.756 19.122 1.00 18.77 C ATOM 23 C ILE A 3 62.984 39.757 17.920 1.00 18.34 C ATOM 24 O ILE A 3 63.389 40.198 16.843 1.00 19.69 O ATOM 25 CB ILE A 3 64.068 41.227 19.640 1.00 18.97 C ATOM 26 CG1 ILE A 3 64.863 41.234 20.954 1.00 20.20 C ATOM 27 CG2 ILE A 3 62.707 41.915 19.856 1.00 20.49 C ATOM 28 CD1 ILE A 3 65.500 42.613 21.224 1.00 22.17 C ATOM 29 H ILE A 3 65.688 39.624 17.930 1.00 0.00 H ATOM 30 N ALA A 4 61.754 39.291 18.082 1.00 17.44 N ATOM 31 CA ALA A 4 60.772 39.409 17.018 1.00 16.61 C ATOM 32 C ALA A 4 59.704 40.381 17.417 1.00 16.52 C ATOM 33 O ALA A 4 59.204 40.340 18.552 1.00 16.59 O ATOM 34 CB ALA A 4 60.164 38.084 16.689 1.00 16.16 C ATOM 35 H ALA A 4 61.489 38.837 18.979 1.00 0.00 H ATOM 36 N ILE A 5 59.343 41.255 16.480 1.00 16.16 N ATOM 37 CA ILE A 5 58.249 42.187 16.666 1.00 16.04 C ATOM 38 C ILE A 5 57.061 41.623 15.917 1.00 15.96 C ATOM 39 O ILE A 5 57.155 41.329 14.720 1.00 15.29 O ATOM 40 CB ILE A 5 58.574 43.598 16.118 1.00 16.22 C ATOM 41 CG1 ILE A 5 59.890 44.131 16.715 1.00 15.87 C ATOM 42 CG2 ILE A 5 57.440 44.555 16.463 1.00 18.44 C ATOM 43 CD1 ILE A 5 59.978 44.184 18.268 1.00 16.21 C ATOM 44 H ILE A 5 59.866 41.269 15.581 1.00 0.00 H ATOM 45 N GLU A 6 55.949 41.468 16.632 1.00 15.87 N ATOM 46 CA GLU A 6 54.740 40.871 16.097 1.00 15.76 C ATOM 47 C GLU A 6 53.544 41.793 16.249 1.00 16.59 C ATOM 48 O GLU A 6 53.545 42.695 17.092 1.00 16.15 O ATOM 49 CB GLU A 6 54.440 39.574 16.864 1.00 15.43 C ATOM 50 CG GLU A 6 55.491 38.453 16.681 1.00 15.84 C ATOM 51 CD GLU A 6 55.488 37.823 15.279 1.00 15.91 C ATOM 52 OE1 GLU A 6 54.605 38.165 14.486 1.00 14.45 O ATOM 53 OE2 GLU A 6 56.395 37.006 14.972 1.00 16.56 O ATOM 54 H GLU A 6 55.947 41.790 17.621 1.00 0.00 H ATOM 55 N GLY A 7 52.497 41.513 15.472 1.00 16.69 N ATOM 56 CA GLY A 7 51.221 42.208 15.561 1.00 17.56 C ATOM 57 C GLY A 7 50.459 42.133 14.256 1.00 19.30 C ATOM 58 O GLY A 7 51.008 41.660 13.242 1.00 18.62 O ATOM 59 H GLY A 7 52.597 40.757 14.764 1.00 0.00 H ATOM 60 N VAL A 8 49.209 42.594 14.261 1.00 21.23 N ATOM 61 CA VAL A 8 48.366 42.522 13.058 1.00 24.64 C ATOM 62 C VAL A 8 48.723 43.618 12.052 1.00 27.83 C ATOM 63 O VAL A 8 49.477 44.522 12.375 1.00 29.21 O ATOM 64 CB VAL A 8 46.854 42.530 13.380 1.00 25.11 C ATOM 65 CG1 VAL A 8 46.507 41.365 14.293 1.00 25.12 C ATOM 66 CG2 VAL A 8 46.434 43.855 14.001 1.00 25.73 C ATOM 67 H VAL A 8 48.822 43.012 15.131 1.00 0.00 H ATOM 68 N ASP A 9 48.176 43.507 10.844 1.00 32.06 N ATOM 69 CA ASP A 9 48.554 44.351 9.703 1.00 35.00 C ATOM 70 C ASP A 9 48.024 45.759 9.921 1.00 36.56 C ATOM 71 O ASP A 9 46.804 45.980 10.024 1.00 37.92 O ATOM 72 CB ASP A 9 48.001 43.781 8.387 1.00 36.33 C ATOM 73 CG ASP A 9 48.694 44.378 7.132 1.00 40.13 C ATOM 74 OD1 ASP A 9 49.564 45.283 7.251 1.00 42.31 O ATOM 75 OD2 ASP A 9 48.373 43.917 6.013 1.00 44.24 O ATOM 76 H ASP A 9 47.442 42.784 10.700 1.00 0.00 H ATOM 77 N GLY A 10 48.955 46.703 9.991 1.00 37.09 N ATOM 78 CA GLY A 10 48.637 48.087 10.332 1.00 37.39 C ATOM 79 C GLY A 10 49.022 48.435 11.762 1.00 36.60 C ATOM 80 O GLY A 10 49.057 49.596 12.109 1.00 37.28 O ATOM 81 H GLY A 10 49.944 46.448 9.796 1.00 0.00 H ATOM 82 N ALA A 11 49.312 47.445 12.613 1.00 35.36 N ATOM 83 CA ALA A 11 49.686 47.763 13.994 1.00 34.26 C ATOM 84 C ALA A 11 50.786 48.843 14.078 1.00 33.60 C ATOM 85 O ALA A 11 50.829 49.609 15.040 1.00 34.87 O ATOM 86 CB ALA A 11 50.122 46.494 14.751 1.00 34.27 C ATOM 87 H ALA A 11 49.272 46.455 12.297 1.00 0.00 H ATOM 88 N GLY A 12 51.678 48.911 13.079 1.00 32.28 N ATOM 89 CA GLY A 12 52.803 49.865 13.104 1.00 29.65 C ATOM 90 C GLY A 12 54.078 49.247 13.667 1.00 27.39 C ATOM 91 O GLY A 12 54.839 49.896 14.416 1.00 25.04 O ATOM 92 H GLY A 12 51.574 48.273 12.264 1.00 0.00 H ATOM 93 N LYS A 13 54.322 48.010 13.262 1.00 25.24 N ATOM 94 CA LYS A 13 55.492 47.244 13.669 1.00 24.92 C ATOM 95 C LYS A 13 56.751 47.825 13.151 1.00 24.20 C ATOM 96 O LYS A 13 57.753 47.858 13.857 1.00 23.47 O ATOM 97 CB LYS A 13 55.417 45.796 13.163 1.00 24.82 C ATOM 98 CG LYS A 13 54.190 45.082 13.643 1.00 27.12 C ATOM 99 CD LYS A 13 54.245 43.557 13.406 1.00 28.86 C ATOM 100 CE LYS A 13 54.596 43.133 12.008 1.00 29.97 C ATOM 101 NZ LYS A 13 54.292 44.034 10.883 1.00 31.41 N ATOM 102 HZ1 LYS A 13 53.268 44.212 10.850 1.00 0.00 H ATOM 103 HZ2 LYS A 13 54.797 44.934 11.015 1.00 0.00 H ATOM 104 HZ3 LYS A 13 54.597 43.591 9.993 1.00 0.00 H ATOM 105 H LYS A 13 53.640 47.561 12.618 1.00 0.00 H ATOM 106 N ARG A 14 56.736 48.255 11.896 1.00 24.38 N ATOM 107 CA ARG A 14 57.971 48.795 11.330 1.00 24.80 C ATOM 108 C ARG A 14 58.435 50.024 12.098 1.00 23.46 C ATOM 109 O ARG A 14 59.621 50.168 12.369 1.00 23.09 O ATOM 110 CB ARG A 14 57.828 49.103 9.836 1.00 26.26 C ATOM 111 CG ARG A 14 59.170 49.447 9.197 1.00 29.80 C ATOM 112 CD ARG A 14 59.050 49.742 7.719 1.00 35.68 C ATOM 113 NE ARG A 14 60.176 50.563 7.272 1.00 40.81 N ATOM 114 CZ ARG A 14 60.406 50.925 6.012 1.00 43.74 C ATOM 115 NH1 ARG A 14 59.593 50.531 5.044 1.00 44.23 N ATOM 116 NH2 ARG A 14 61.460 51.687 5.719 1.00 46.81 N ATOM 117 HE ARG A 14 60.849 50.889 7.995 1.00 0.00 H ATOM 118 HH12 ARG A 14 59.778 50.817 4.061 1.00 0.00 H ATOM 119 HH11 ARG A 14 58.770 49.936 5.266 1.00 0.00 H ATOM 120 HH22 ARG A 14 61.640 51.970 4.734 1.00 0.00 H ATOM 121 HH21 ARG A 14 62.103 51.999 6.475 1.00 0.00 H ATOM 122 H ARG A 14 55.866 48.209 11.328 1.00 0.00 H ATOM 123 N THR A 15 57.503 50.891 12.486 1.00 23.15 N ATOM 124 CA THR A 15 57.839 52.101 13.267 1.00 22.56 C ATOM 125 C THR A 15 58.478 51.678 14.609 1.00 21.92 C ATOM 126 O THR A 15 59.511 52.211 15.029 1.00 22.33 O ATOM 127 CB THR A 15 56.565 52.980 13.486 1.00 22.72 C ATOM 128 OG1 THR A 15 56.076 53.404 12.219 1.00 23.47 O ATOM 129 CG2 THR A 15 56.828 54.219 14.339 1.00 22.53 C ATOM 130 HG1 THR A 15 55.847 52.611 11.673 1.00 0.00 H ATOM 131 H THR A 15 56.510 50.713 12.233 1.00 0.00 H ATOM 132 N LEU A 16 57.876 50.695 15.266 1.00 20.99 N ATOM 133 CA LEU A 16 58.435 50.153 16.505 1.00 19.94 C ATOM 134 C LEU A 16 59.837 49.547 16.304 1.00 19.84 C ATOM 135 O LEU A 16 60.745 49.753 17.134 1.00 20.07 O ATOM 136 CB LEU A 16 57.480 49.116 17.107 1.00 20.04 C ATOM 137 CG LEU A 16 57.958 48.491 18.428 1.00 19.77 C ATOM 138 CD1 LEU A 16 58.440 49.546 19.402 1.00 16.78 C ATOM 139 CD2 LEU A 16 56.858 47.611 19.054 1.00 18.63 C ATOM 140 H LEU A 16 56.989 50.302 14.893 1.00 0.00 H ATOM 141 N VAL A 17 60.038 48.835 15.200 1.00 19.08 N ATOM 142 CA VAL A 17 61.359 48.274 14.894 1.00 19.65 C ATOM 143 C VAL A 17 62.399 49.390 14.810 1.00 20.47 C ATOM 144 O VAL A 17 63.488 49.277 15.353 1.00 20.11 O ATOM 145 CB VAL A 17 61.323 47.473 13.570 1.00 19.19 C ATOM 146 CG1 VAL A 17 62.755 47.182 13.065 1.00 19.03 C ATOM 147 CG2 VAL A 17 60.490 46.184 13.763 1.00 18.95 C ATOM 148 H VAL A 17 59.248 48.673 14.544 1.00 0.00 H ATOM 149 N GLU A 18 62.058 50.477 14.122 1.00 22.19 N ATOM 150 CA GLU A 18 62.985 51.626 13.974 1.00 23.71 C ATOM 151 C GLU A 18 63.238 52.345 15.306 1.00 22.99 C ATOM 152 O GLU A 18 64.368 52.705 15.628 1.00 22.97 O ATOM 153 CB GLU A 18 62.424 52.623 12.937 1.00 25.11 C ATOM 154 CG GLU A 18 62.260 52.018 11.528 1.00 30.43 C ATOM 155 CD GLU A 18 61.521 52.932 10.537 1.00 37.26 C ATOM 156 OE1 GLU A 18 60.904 53.951 10.951 1.00 39.87 O ATOM 157 OE2 GLU A 18 61.545 52.589 9.328 1.00 42.04 O ATOM 158 H GLU A 18 61.119 50.522 13.677 1.00 0.00 H ATOM 159 N LYS A 19 62.174 52.568 16.067 1.00 23.32 N ATOM 160 CA LYS A 19 62.287 53.180 17.390 1.00 24.27 C ATOM 161 C LYS A 19 63.208 52.333 18.276 1.00 23.86 C ATOM 162 O LYS A 19 64.141 52.839 18.897 1.00 23.73 O ATOM 163 CB LYS A 19 60.918 53.275 18.053 1.00 24.63 C ATOM 164 CG LYS A 19 60.053 54.460 17.630 1.00 27.70 C ATOM 165 CD LYS A 19 58.552 54.186 17.874 1.00 32.97 C ATOM 166 CE LYS A 19 58.187 53.971 19.352 1.00 36.46 C ATOM 167 NZ LYS A 19 56.716 53.598 19.611 1.00 36.70 N ATOM 168 HZ1 LYS A 19 56.100 54.358 19.259 1.00 0.00 H ATOM 169 HZ2 LYS A 19 56.492 52.711 19.116 1.00 0.00 H ATOM 170 HZ3 LYS A 19 56.566 53.474 20.633 1.00 0.00 H ATOM 171 H LYS A 19 61.234 52.300 15.713 1.00 0.00 H ATOM 172 N LEU A 20 62.942 51.036 18.318 1.00 22.99 N ATOM 173 CA LEU A 20 63.767 50.138 19.120 1.00 23.04 C ATOM 174 C LEU A 20 65.195 50.100 18.630 1.00 22.71 C ATOM 175 O LEU A 20 66.121 50.038 19.428 1.00 23.06 O ATOM 176 CB LEU A 20 63.216 48.718 19.129 1.00 22.34 C ATOM 177 CG LEU A 20 62.392 48.274 20.324 1.00 24.19 C ATOM 178 CD1 LEU A 20 62.173 46.776 20.138 1.00 23.34 C ATOM 179 CD2 LEU A 20 63.118 48.577 21.682 1.00 23.47 C ATOM 180 H LEU A 20 62.140 50.655 17.776 1.00 0.00 H ATOM 181 N SER A 21 65.385 50.116 17.316 1.00 23.42 N ATOM 182 CA SER A 21 66.747 50.068 16.767 1.00 23.66 C ATOM 183 C SER A 21 67.554 51.260 17.253 1.00 24.39 C ATOM 184 O SER A 21 68.688 51.102 17.699 1.00 24.32 O ATOM 185 CB SER A 21 66.732 50.036 15.240 1.00 24.30 C ATOM 186 OG SER A 21 66.174 48.819 14.794 1.00 23.68 O ATOM 187 HG SER A 21 65.247 48.738 15.133 1.00 0.00 H ATOM 188 H SER A 21 64.568 50.163 16.674 1.00 0.00 H ATOM 189 N GLY A 22 66.955 52.449 17.169 1.00 24.68 N ATOM 190 CA GLY A 22 67.577 53.659 17.686 1.00 25.09 C ATOM 191 C GLY A 22 67.893 53.598 19.178 1.00 24.94 C ATOM 192 O GLY A 22 68.937 54.082 19.613 1.00 25.37 O ATOM 193 H GLY A 22 66.018 52.513 16.722 1.00 0.00 H ATOM 194 N ALA A 23 66.978 53.028 19.961 1.00 24.62 N ATOM 195 CA ALA A 23 67.142 52.930 21.418 1.00 24.64 C ATOM 196 C ALA A 23 68.306 52.039 21.752 1.00 24.19 C ATOM 197 O ALA A 23 69.112 52.384 22.597 1.00 23.89 O ATOM 198 CB ALA A 23 65.863 52.386 22.096 1.00 24.72 C ATOM 199 H ALA A 23 66.117 52.639 19.526 1.00 0.00 H ATOM 200 N PHE A 24 68.396 50.892 21.081 1.00 23.50 N ATOM 201 CA PHE A 24 69.505 49.969 21.303 1.00 23.51 C ATOM 202 C PHE A 24 70.845 50.579 20.916 1.00 24.81 C ATOM 203 O PHE A 24 71.846 50.421 21.638 1.00 25.13 O ATOM 204 CB PHE A 24 69.299 48.668 20.532 1.00 23.30 C ATOM 205 CG PHE A 24 68.318 47.743 21.180 1.00 21.93 C ATOM 206 CD1 PHE A 24 68.484 47.344 22.488 1.00 22.49 C ATOM 207 CD2 PHE A 24 67.230 47.268 20.477 1.00 22.65 C ATOM 208 CE1 PHE A 24 67.581 46.478 23.082 1.00 22.84 C ATOM 209 CE2 PHE A 24 66.333 46.410 21.071 1.00 21.65 C ATOM 210 CZ PHE A 24 66.505 46.023 22.363 1.00 20.47 C ATOM 211 H PHE A 24 67.662 50.649 20.385 1.00 0.00 H ATOM 212 N ARG A 25 70.869 51.298 19.795 1.00 24.83 N ATOM 213 CA ARG A 25 72.113 51.931 19.358 1.00 25.57 C ATOM 214 C ARG A 25 72.513 53.039 20.334 1.00 25.84 C ATOM 215 O ARG A 25 73.685 53.168 20.665 1.00 26.42 O ATOM 216 CB ARG A 25 72.003 52.448 17.924 1.00 25.27 C ATOM 217 CG ARG A 25 71.951 51.337 16.904 1.00 26.43 C ATOM 218 CD ARG A 25 71.565 51.809 15.525 1.00 27.56 C ATOM 219 NE ARG A 25 71.617 50.693 14.576 1.00 29.00 N ATOM 220 CZ ARG A 25 70.796 50.511 13.536 1.00 30.28 C ATOM 221 NH1 ARG A 25 69.812 51.374 13.253 1.00 29.61 N ATOM 222 NH2 ARG A 25 70.961 49.443 12.766 1.00 30.24 N ATOM 223 HE ARG A 25 72.358 49.979 14.725 1.00 0.00 H ATOM 224 HH12 ARG A 25 69.190 51.204 12.437 1.00 0.00 H ATOM 225 HH11 ARG A 25 69.670 52.214 13.849 1.00 0.00 H ATOM 226 HH22 ARG A 25 70.332 49.286 11.953 1.00 0.00 H ATOM 227 HH21 ARG A 25 71.720 48.763 12.975 1.00 0.00 H ATOM 228 H ARG A 25 70.003 51.409 19.230 1.00 0.00 H ATOM 229 N ALA A 26 71.545 53.809 20.822 1.00 26.38 N ATOM 230 CA ALA A 26 71.840 54.833 21.836 1.00 27.14 C ATOM 231 C ALA A 26 72.415 54.202 23.092 1.00 27.77 C ATOM 232 O ALA A 26 73.229 54.820 23.773 1.00 29.14 O ATOM 233 CB ALA A 26 70.607 55.660 22.163 1.00 26.92 C ATOM 234 H ALA A 26 70.569 53.686 20.483 1.00 0.00 H ATOM 235 N ALA A 27 72.031 52.960 23.385 1.00 27.04 N ATOM 236 CA ALA A 27 72.586 52.224 24.526 1.00 27.50 C ATOM 237 C ALA A 27 73.911 51.531 24.217 1.00 28.32 C ATOM 238 O ALA A 27 74.410 50.767 25.034 1.00 28.28 O ATOM 239 CB ALA A 27 71.560 51.198 25.078 1.00 25.69 C ATOM 240 H ALA A 27 71.316 52.499 22.787 1.00 0.00 H ATOM 241 N GLY A 28 74.474 51.784 23.041 1.00 29.12 N ATOM 242 CA GLY A 28 75.797 51.253 22.704 1.00 30.35 C ATOM 243 C GLY A 28 75.790 49.874 22.077 1.00 30.43 C ATOM 244 O GLY A 28 76.844 49.239 21.990 1.00 31.57 O ATOM 245 H GLY A 28 73.967 52.369 22.347 1.00 0.00 H ATOM 246 N ARG A 29 74.626 49.431 21.588 1.00 29.86 N ATOM 247 CA ARG A 29 74.474 48.079 21.030 1.00 29.95 C ATOM 248 C ARG A 29 74.334 48.131 19.522 1.00 28.81 C ATOM 249 O ARG A 29 73.590 48.950 18.990 1.00 29.32 O ATOM 250 CB ARG A 29 73.253 47.372 21.629 1.00 29.97 C ATOM 251 CG ARG A 29 73.263 47.338 23.141 1.00 32.74 C ATOM 252 CD ARG A 29 72.025 46.692 23.718 1.00 36.94 C ATOM 253 NE ARG A 29 71.747 47.237 25.042 1.00 39.04 N ATOM 254 CZ ARG A 29 72.233 46.764 26.186 1.00 43.86 C ATOM 255 NH1 ARG A 29 73.021 45.686 26.207 1.00 44.68 N ATOM 256 NH2 ARG A 29 71.916 47.380 27.329 1.00 45.33 N ATOM 257 HE ARG A 29 71.117 48.063 25.096 1.00 0.00 H ATOM 258 HH12 ARG A 29 73.392 45.330 27.111 1.00 0.00 H ATOM 259 HH11 ARG A 29 73.264 45.202 25.319 1.00 0.00 H ATOM 260 HH22 ARG A 29 72.288 47.023 28.232 1.00 0.00 H ATOM 261 HH21 ARG A 29 71.298 48.216 27.315 1.00 0.00 H ATOM 262 H ARG A 29 73.801 50.064 21.603 1.00 0.00 H ATOM 263 N SER A 30 75.041 47.253 18.828 1.00 27.67 N ATOM 264 CA SER A 30 74.890 47.141 17.381 1.00 27.15 C ATOM 265 C SER A 30 73.577 46.425 17.094 1.00 25.86 C ATOM 266 O SER A 30 73.155 45.559 17.867 1.00 25.87 O ATOM 267 CB SER A 30 76.072 46.396 16.735 1.00 26.94 C ATOM 268 OG SER A 30 76.189 45.070 17.225 1.00 27.06 O ATOM 269 HG SER A 30 76.957 44.624 16.788 1.00 0.00 H ATOM 270 H SER A 30 75.715 46.633 19.322 1.00 0.00 H ATOM 271 N VAL A 31 72.929 46.808 16.000 1.00 25.40 N ATOM 272 CA VAL A 31 71.632 46.246 15.620 1.00 24.52 C ATOM 273 C VAL A 31 71.593 45.931 14.133 1.00 24.11 C ATOM 274 O VAL A 31 72.135 46.682 13.314 1.00 24.00 O ATOM 275 CB VAL A 31 70.500 47.243 15.962 1.00 24.46 C ATOM 276 CG1 VAL A 31 69.116 46.715 15.524 1.00 24.23 C ATOM 277 CG2 VAL A 31 70.514 47.552 17.468 1.00 24.69 C ATOM 278 H VAL A 31 73.359 47.534 15.391 1.00 0.00 H ATOM 279 N ALA A 32 70.987 44.794 13.809 1.00 23.67 N ATOM 280 CA ALA A 32 70.604 44.430 12.442 1.00 24.04 C ATOM 281 C ALA A 32 69.130 44.018 12.435 1.00 24.11 C ATOM 282 O ALA A 32 68.625 43.466 13.429 1.00 24.20 O ATOM 283 CB ALA A 32 71.460 43.283 11.954 1.00 24.16 C ATOM 284 H ALA A 32 70.771 44.121 14.572 1.00 0.00 H ATOM 285 N THR A 33 68.428 44.309 11.342 1.00 24.12 N ATOM 286 CA THR A 33 67.032 43.928 11.219 1.00 23.29 C ATOM 287 C THR A 33 66.755 43.204 9.916 1.00 23.44 C ATOM 288 O THR A 33 67.505 43.317 8.943 1.00 22.68 O ATOM 289 CB THR A 33 66.093 45.137 11.275 1.00 23.64 C ATOM 290 OG1 THR A 33 66.228 45.886 10.065 1.00 25.19 O ATOM 291 CG2 THR A 33 66.406 46.033 12.499 1.00 23.26 C ATOM 292 HG1 THR A 33 65.624 46.670 10.094 1.00 0.00 H ATOM 293 H THR A 33 68.888 44.819 10.561 1.00 0.00 H ATOM 294 N LEU A 34 65.669 42.445 9.933 1.00 23.38 N ATOM 295 CA LEU A 34 65.213 41.634 8.798 1.00 24.00 C ATOM 296 C LEU A 34 63.694 41.643 8.889 1.00 22.61 C ATOM 297 O LEU A 34 63.174 41.623 10.004 1.00 23.39 O ATOM 298 CB LEU A 34 65.640 40.180 8.965 1.00 24.22 C ATOM 299 CG LEU A 34 66.782 39.503 8.238 1.00 28.81 C ATOM 300 CD1 LEU A 34 66.771 38.010 8.623 1.00 28.11 C ATOM 301 CD2 LEU A 34 66.717 39.696 6.695 1.00 32.20 C ATOM 302 H LEU A 34 65.104 42.423 10.806 1.00 0.00 H ATOM 303 N ALA A 35 62.990 41.670 7.764 1.00 20.69 N ATOM 304 CA ALA A 35 61.495 41.673 7.773 1.00 20.43 C ATOM 305 C ALA A 35 60.987 40.459 7.020 1.00 19.05 C ATOM 306 O ALA A 35 61.553 40.108 5.995 1.00 18.03 O ATOM 307 CB ALA A 35 60.919 42.952 7.139 1.00 20.26 C ATOM 308 H ALA A 35 63.491 41.690 6.853 1.00 0.00 H ATOM 309 N PHE A 36 59.967 39.792 7.560 1.00 17.75 N ATOM 310 CA PHE A 36 59.256 38.728 6.836 1.00 17.79 C ATOM 311 C PHE A 36 57.803 39.135 6.565 1.00 18.12 C ATOM 312 O PHE A 36 57.230 39.951 7.300 1.00 17.06 O ATOM 313 CB PHE A 36 59.275 37.422 7.621 1.00 17.46 C ATOM 314 CG PHE A 36 60.651 36.839 7.786 1.00 18.07 C ATOM 315 CD1 PHE A 36 61.205 36.041 6.791 1.00 16.64 C ATOM 316 CD2 PHE A 36 61.407 37.121 8.914 1.00 17.26 C ATOM 317 CE1 PHE A 36 62.494 35.528 6.938 1.00 17.79 C ATOM 318 CE2 PHE A 36 62.672 36.601 9.080 1.00 18.72 C ATOM 319 CZ PHE A 36 63.234 35.813 8.074 1.00 19.02 C ATOM 320 H PHE A 36 59.664 40.032 8.525 1.00 0.00 H ATOM 321 N PRO A 37 57.195 38.559 5.515 1.00 18.33 N ATOM 322 CA PRO A 37 57.810 37.633 4.549 1.00 18.86 C ATOM 323 C PRO A 37 58.800 38.360 3.638 1.00 19.73 C ATOM 324 O PRO A 37 58.690 39.567 3.474 1.00 18.68 O ATOM 325 CB PRO A 37 56.624 37.121 3.733 1.00 18.95 C ATOM 326 CG PRO A 37 55.411 37.379 4.618 1.00 19.30 C ATOM 327 CD PRO A 37 55.756 38.705 5.289 1.00 18.49 C ATOM 328 N ARG A 38 59.740 37.629 3.051 1.00 20.70 N ATOM 329 CA ARG A 38 60.762 38.252 2.195 1.00 22.27 C ATOM 330 C ARG A 38 60.248 38.303 0.760 1.00 23.79 C ATOM 331 O ARG A 38 60.742 37.608 -0.135 1.00 24.27 O ATOM 332 CB ARG A 38 62.073 37.493 2.288 1.00 22.28 C ATOM 333 CG ARG A 38 62.660 37.464 3.680 1.00 22.75 C ATOM 334 CD ARG A 38 63.932 36.665 3.722 1.00 25.53 C ATOM 335 NE ARG A 38 63.698 35.281 3.344 1.00 24.58 N ATOM 336 CZ ARG A 38 64.531 34.516 2.654 1.00 28.69 C ATOM 337 NH1 ARG A 38 65.708 34.986 2.237 1.00 30.19 N ATOM 338 NH2 ARG A 38 64.177 33.266 2.365 1.00 30.46 N ATOM 339 HE ARG A 38 62.798 34.854 3.641 1.00 0.00 H ATOM 340 HH12 ARG A 38 66.351 34.373 1.696 1.00 0.00 H ATOM 341 HH11 ARG A 38 65.983 35.966 2.453 1.00 0.00 H ATOM 342 HH22 ARG A 38 64.822 32.655 1.824 1.00 0.00 H ATOM 343 HH21 ARG A 38 63.256 32.900 2.680 1.00 0.00 H ATOM 344 H ARG A 38 59.754 36.600 3.199 1.00 0.00 H ATOM 345 N TYR A 39 59.231 39.129 0.562 1.00 24.77 N ATOM 346 CA TYR A 39 58.657 39.300 -0.738 1.00 26.76 C ATOM 347 C TYR A 39 59.751 39.836 -1.683 1.00 27.97 C ATOM 348 O TYR A 39 60.518 40.714 -1.315 1.00 27.78 O ATOM 349 CB TYR A 39 57.465 40.255 -0.686 1.00 26.74 C ATOM 350 CG TYR A 39 56.281 39.755 0.127 1.00 25.46 C ATOM 351 CD1 TYR A 39 55.751 38.483 -0.086 1.00 22.88 C ATOM 352 CD2 TYR A 39 55.670 40.568 1.093 1.00 24.85 C ATOM 353 CE1 TYR A 39 54.671 38.019 0.655 1.00 21.55 C ATOM 354 CE2 TYR A 39 54.563 40.108 1.837 1.00 23.40 C ATOM 355 CZ TYR A 39 54.069 38.836 1.592 1.00 22.80 C ATOM 356 OH TYR A 39 52.984 38.345 2.289 1.00 21.62 O ATOM 357 HH TYR A 39 52.781 37.428 1.977 1.00 0.00 H ATOM 358 H TYR A 39 58.843 39.663 1.366 1.00 0.00 H ATOM 359 N GLY A 40 59.816 39.268 -2.886 1.00 29.21 N ATOM 360 CA GLY A 40 60.800 39.658 -3.906 1.00 30.62 C ATOM 361 C GLY A 40 62.103 38.865 -3.832 1.00 31.26 C ATOM 362 O GLY A 40 62.930 38.995 -4.710 1.00 32.59 O ATOM 363 H GLY A 40 59.138 38.513 -3.114 1.00 0.00 H ATOM 364 N GLN A 41 62.274 38.048 -2.789 1.00 30.58 N ATOM 365 CA GLN A 41 63.483 37.252 -2.574 1.00 31.36 C ATOM 366 C GLN A 41 63.203 35.772 -2.514 1.00 31.09 C ATOM 367 O GLN A 41 63.977 34.947 -3.039 1.00 32.73 O ATOM 368 CB GLN A 41 64.137 37.633 -1.238 1.00 31.33 C ATOM 369 CG GLN A 41 65.024 38.835 -1.324 1.00 32.13 C ATOM 370 CD GLN A 41 65.445 39.365 0.037 1.00 33.11 C ATOM 371 OE1 GLN A 41 65.345 40.561 0.284 1.00 36.46 O ATOM 372 NE2 GLN A 41 65.931 38.488 0.913 1.00 30.09 N ATOM 373 HE22 GLN A 41 65.997 37.482 0.659 1.00 0.00 H ATOM 374 HE21 GLN A 41 66.244 38.809 1.851 1.00 0.00 H ATOM 375 H GLN A 41 61.506 37.974 -2.092 1.00 0.00 H ATOM 376 N SER A 42 62.127 35.448 -1.812 1.00 29.12 N ATOM 377 CA SER A 42 61.725 34.100 -1.545 1.00 28.23 C ATOM 378 C SER A 42 60.576 33.798 -2.478 1.00 27.45 C ATOM 379 O SER A 42 59.550 34.476 -2.427 1.00 26.33 O ATOM 380 CB SER A 42 61.244 33.982 -0.103 1.00 27.67 C ATOM 381 OG SER A 42 60.623 32.731 0.146 1.00 29.51 O ATOM 382 HG SER A 42 61.271 32.002 -0.026 1.00 0.00 H ATOM 383 H SER A 42 61.540 36.218 -1.433 1.00 0.00 H ATOM 384 N VAL A 43 60.734 32.776 -3.312 1.00 27.01 N ATOM 385 CA VAL A 43 59.646 32.385 -4.186 1.00 27.12 C ATOM 386 C VAL A 43 58.458 31.848 -3.396 1.00 25.20 C ATOM 387 O VAL A 43 57.317 32.053 -3.802 1.00 25.55 O ATOM 388 CB VAL A 43 60.066 31.340 -5.261 1.00 28.51 C ATOM 389 CG1 VAL A 43 60.458 30.003 -4.628 1.00 28.41 C ATOM 390 CG2 VAL A 43 58.925 31.155 -6.261 1.00 29.31 C ATOM 391 H VAL A 43 61.636 32.258 -3.338 1.00 0.00 H ATOM 392 N ALA A 44 58.704 31.163 -2.286 1.00 23.77 N ATOM 393 CA ALA A 44 57.595 30.593 -1.498 1.00 23.79 C ATOM 394 C ALA A 44 56.707 31.734 -0.955 1.00 23.15 C ATOM 395 O ALA A 44 55.479 31.694 -1.069 1.00 23.78 O ATOM 396 CB ALA A 44 58.121 29.702 -0.365 1.00 23.15 C ATOM 397 H ALA A 44 59.685 31.027 -1.970 1.00 0.00 H ATOM 398 N ALA A 45 57.360 32.760 -0.423 1.00 22.98 N ATOM 399 CA ALA A 45 56.716 34.002 -0.004 1.00 23.31 C ATOM 400 C ALA A 45 55.883 34.629 -1.125 1.00 23.89 C ATOM 401 O ALA A 45 54.726 34.957 -0.908 1.00 23.83 O ATOM 402 CB ALA A 45 57.754 35.000 0.484 1.00 23.08 C ATOM 403 H ALA A 45 58.389 32.675 -0.297 1.00 0.00 H ATOM 404 N ASP A 46 56.475 34.787 -2.307 1.00 24.29 N ATOM 405 CA ASP A 46 55.791 35.423 -3.433 1.00 24.75 C ATOM 406 C ASP A 46 54.533 34.651 -3.873 1.00 24.76 C ATOM 407 O ASP A 46 53.475 35.245 -4.078 1.00 25.47 O ATOM 408 CB ASP A 46 56.765 35.628 -4.603 1.00 25.90 C ATOM 409 CG ASP A 46 57.793 36.717 -4.323 1.00 25.81 C ATOM 410 OD1 ASP A 46 57.616 37.509 -3.401 1.00 27.12 O ATOM 411 OD2 ASP A 46 58.771 36.823 -5.044 1.00 29.03 O ATOM 412 H ASP A 46 57.450 34.449 -2.433 1.00 0.00 H ATOM 413 N ILE A 47 54.638 33.333 -3.975 1.00 24.65 N ATOM 414 CA ILE A 47 53.510 32.471 -4.319 1.00 24.97 C ATOM 415 C ILE A 47 52.379 32.609 -3.273 1.00 24.91 C ATOM 416 O ILE A 47 51.210 32.735 -3.617 1.00 24.77 O ATOM 417 CB ILE A 47 53.972 30.991 -4.454 1.00 25.11 C ATOM 418 CG1 ILE A 47 54.860 30.833 -5.690 1.00 26.40 C ATOM 419 CG2 ILE A 47 52.773 30.046 -4.519 1.00 26.13 C ATOM 420 CD1 ILE A 47 55.674 29.541 -5.720 1.00 28.89 C ATOM 421 H ILE A 47 55.565 32.894 -3.802 1.00 0.00 H ATOM 422 N ALA A 48 52.740 32.616 -1.997 1.00 25.02 N ATOM 423 CA ALA A 48 51.768 32.816 -0.906 1.00 24.90 C ATOM 424 C ALA A 48 51.017 34.158 -1.043 1.00 25.61 C ATOM 425 O ALA A 48 49.782 34.211 -0.951 1.00 26.17 O ATOM 426 CB ALA A 48 52.495 32.735 0.475 1.00 23.94 C ATOM 427 H ALA A 48 53.742 32.476 -1.758 1.00 0.00 H ATOM 428 N ALA A 49 51.759 35.231 -1.277 1.00 25.83 N ATOM 429 CA ALA A 49 51.149 36.556 -1.441 1.00 26.61 C ATOM 430 C ALA A 49 50.229 36.556 -2.644 1.00 27.42 C ATOM 431 O ALA A 49 49.120 37.095 -2.608 1.00 26.81 O ATOM 432 CB ALA A 49 52.212 37.633 -1.610 1.00 26.65 C ATOM 433 H ALA A 49 52.792 35.132 -1.346 1.00 0.00 H ATOM 434 N GLU A 50 50.720 35.966 -3.725 1.00 27.40 N ATOM 435 CA GLU A 50 49.940 35.869 -4.929 1.00 28.13 C ATOM 436 C GLU A 50 48.694 35.071 -4.664 1.00 28.02 C ATOM 437 O GLU A 50 47.629 35.449 -5.146 1.00 29.27 O ATOM 438 CB GLU A 50 50.760 35.269 -6.067 1.00 28.01 C ATOM 439 CG GLU A 50 51.846 36.208 -6.537 1.00 28.86 C ATOM 440 CD GLU A 50 52.985 35.512 -7.276 1.00 29.78 C ATOM 441 OE1 GLU A 50 52.844 34.328 -7.630 1.00 27.90 O ATOM 442 OE2 GLU A 50 54.034 36.160 -7.507 1.00 32.05 O ATOM 443 H GLU A 50 51.681 35.569 -3.702 1.00 0.00 H ATOM 444 N ALA A 51 48.801 33.993 -3.895 1.00 27.70 N ATOM 445 CA ALA A 51 47.621 33.184 -3.563 1.00 28.99 C ATOM 446 C ALA A 51 46.585 33.970 -2.753 1.00 30.11 C ATOM 447 O ALA A 51 45.389 33.819 -2.949 1.00 29.94 O ATOM 448 CB ALA A 51 48.004 31.919 -2.817 1.00 28.05 C ATOM 449 H ALA A 51 49.733 33.718 -3.523 1.00 0.00 H ATOM 450 N LEU A 52 47.047 34.809 -1.847 1.00 31.35 N ATOM 451 CA LEU A 52 46.132 35.684 -1.109 1.00 33.31 C ATOM 452 C LEU A 52 45.371 36.657 -2.027 1.00 34.78 C ATOM 453 O LEU A 52 44.278 37.095 -1.685 1.00 35.55 O ATOM 454 CB LEU A 52 46.885 36.474 -0.042 1.00 32.72 C ATOM 455 CG LEU A 52 47.432 35.655 1.115 1.00 32.98 C ATOM 456 CD1 LEU A 52 48.354 36.551 1.957 1.00 34.57 C ATOM 457 CD2 LEU A 52 46.293 35.085 1.934 1.00 34.69 C ATOM 458 H LEU A 52 48.068 34.850 -1.655 1.00 0.00 H ATOM 459 N HIS A 53 45.948 36.975 -3.186 1.00 36.37 N ATOM 460 CA HIS A 53 45.269 37.781 -4.206 1.00 37.61 C ATOM 461 C HIS A 53 44.489 36.941 -5.232 1.00 37.68 C ATOM 462 O HIS A 53 44.146 37.429 -6.300 1.00 39.17 O ATOM 463 CB HIS A 53 46.298 38.653 -4.931 1.00 38.38 C ATOM 464 CG HIS A 53 46.903 39.719 -4.072 1.00 41.58 C ATOM 465 ND1 HIS A 53 47.845 39.451 -3.100 1.00 43.85 N ATOM 466 CD2 HIS A 53 46.722 41.063 -4.060 1.00 45.24 C ATOM 467 CE1 HIS A 53 48.219 40.582 -2.528 1.00 45.77 C ATOM 468 NE2 HIS A 53 47.550 41.574 -3.090 1.00 47.04 N ATOM 469 H HIS A 53 46.914 36.639 -3.374 1.00 0.00 H ATOM 470 N GLY A 54 44.211 35.683 -4.917 1.00 36.57 N ATOM 471 CA GLY A 54 43.408 34.837 -5.788 1.00 36.42 C ATOM 472 C GLY A 54 44.123 34.038 -6.874 1.00 36.07 C ATOM 473 O GLY A 54 43.463 33.301 -7.618 1.00 36.10 O ATOM 474 H GLY A 54 44.576 35.291 -4.025 1.00 0.00 H ATOM 475 N GLU A 55 45.452 34.160 -6.988 1.00 34.22 N ATOM 476 CA GLU A 55 46.180 33.363 -7.968 1.00 33.80 C ATOM 477 C GLU A 55 46.383 31.936 -7.434 1.00 31.84 C ATOM 478 O GLU A 55 46.054 31.632 -6.279 1.00 30.43 O ATOM 479 CB GLU A 55 47.536 33.991 -8.314 1.00 34.68 C ATOM 480 CG GLU A 55 47.501 35.454 -8.777 1.00 37.67 C ATOM 481 CD GLU A 55 46.796 35.624 -10.109 1.00 42.77 C ATOM 482 OE1 GLU A 55 46.932 34.725 -10.963 1.00 44.79 O ATOM 483 OE2 GLU A 55 46.119 36.661 -10.310 1.00 46.87 O ATOM 484 H GLU A 55 45.966 34.825 -6.376 1.00 0.00 H ATOM 485 N HIS A 56 46.932 31.070 -8.280 1.00 30.36 N ATOM 486 CA HIS A 56 47.309 29.718 -7.886 1.00 29.01 C ATOM 487 C HIS A 56 46.127 28.907 -7.381 1.00 28.37 C ATOM 488 O HIS A 56 46.228 28.191 -6.390 1.00 27.35 O ATOM 489 CB HIS A 56 48.422 29.757 -6.840 1.00 27.96 C ATOM 490 CG HIS A 56 49.565 30.637 -7.222 1.00 26.88 C ATOM 491 ND1 HIS A 56 50.247 30.490 -8.407 1.00 27.48 N ATOM 492 CD2 HIS A 56 50.146 31.676 -6.577 1.00 25.96 C ATOM 493 CE1 HIS A 56 51.198 31.402 -8.480 1.00 29.42 C ATOM 494 NE2 HIS A 56 51.158 32.136 -7.381 1.00 27.80 N ATOM 495 H HIS A 56 47.099 31.369 -9.262 1.00 0.00 H ATOM 496 N GLY A 57 44.998 29.045 -8.065 1.00 28.98 N ATOM 497 CA GLY A 57 43.854 28.139 -7.882 1.00 29.35 C ATOM 498 C GLY A 57 43.273 28.080 -6.480 1.00 28.42 C ATOM 499 O GLY A 57 42.953 29.109 -5.920 1.00 27.50 O ATOM 500 H GLY A 57 44.920 29.820 -8.754 1.00 0.00 H ATOM 501 N ASP A 58 43.163 26.869 -5.916 1.00 28.58 N ATOM 502 CA ASP A 58 42.616 26.671 -4.550 1.00 28.58 C ATOM 503 C ASP A 58 43.686 26.738 -3.402 1.00 27.65 C ATOM 504 O ASP A 58 43.400 26.394 -2.254 1.00 26.67 O ATOM 505 CB ASP A 58 41.828 25.338 -4.493 1.00 29.14 C ATOM 506 CG ASP A 58 42.726 24.107 -4.611 1.00 31.07 C ATOM 507 OD1 ASP A 58 43.939 24.285 -4.841 1.00 32.26 O ATOM 508 OD2 ASP A 58 42.241 22.954 -4.476 1.00 32.59 O ATOM 509 H ASP A 58 43.473 26.036 -6.456 1.00 0.00 H ATOM 510 N LEU A 59 44.904 27.185 -3.707 1.00 27.29 N ATOM 511 CA LEU A 59 45.996 27.222 -2.700 1.00 27.20 C ATOM 512 C LEU A 59 45.606 27.954 -1.394 1.00 27.31 C ATOM 513 O LEU A 59 45.777 27.413 -0.295 1.00 26.40 O ATOM 514 CB LEU A 59 47.262 27.822 -3.323 1.00 26.68 C ATOM 515 CG LEU A 59 48.536 28.039 -2.489 1.00 28.60 C ATOM 516 CD1 LEU A 59 48.806 26.910 -1.489 1.00 26.14 C ATOM 517 CD2 LEU A 59 49.725 28.238 -3.424 1.00 27.50 C ATOM 518 H LEU A 59 45.095 27.516 -4.674 1.00 0.00 H ATOM 519 N ALA A 60 45.042 29.152 -1.518 1.00 28.05 N ATOM 520 CA ALA A 60 44.716 29.973 -0.335 1.00 28.57 C ATOM 521 C ALA A 60 43.583 29.391 0.493 1.00 29.00 C ATOM 522 O ALA A 60 43.301 29.887 1.586 1.00 29.86 O ATOM 523 CB ALA A 60 44.383 31.443 -0.742 1.00 28.77 C ATOM 524 H ALA A 60 44.826 29.518 -2.467 1.00 0.00 H ATOM 525 N SER A 61 42.937 28.349 -0.021 1.00 29.31 N ATOM 526 CA SER A 61 41.865 27.688 0.699 1.00 29.64 C ATOM 527 C SER A 61 42.402 26.762 1.788 1.00 28.86 C ATOM 528 O SER A 61 41.634 26.305 2.630 1.00 29.26 O ATOM 529 CB SER A 61 40.944 26.926 -0.268 1.00 30.89 C ATOM 530 OG SER A 61 41.442 25.639 -0.605 1.00 32.11 O ATOM 531 HG SER A 61 42.327 25.732 -1.040 1.00 0.00 H ATOM 532 H SER A 61 43.207 27.999 -0.962 1.00 0.00 H ATOM 533 N SER A 62 43.703 26.472 1.768 1.00 27.00 N ATOM 534 CA SER A 62 44.316 25.652 2.800 1.00 25.80 C ATOM 535 C SER A 62 45.142 26.520 3.746 1.00 24.03 C ATOM 536 O SER A 62 46.108 27.174 3.342 1.00 21.83 O ATOM 537 CB SER A 62 45.205 24.565 2.201 1.00 26.32 C ATOM 538 OG SER A 62 45.899 23.869 3.220 1.00 25.79 O ATOM 539 HG SER A 62 46.469 23.170 2.811 1.00 0.00 H ATOM 540 H SER A 62 44.294 26.841 0.996 1.00 0.00 H ATOM 541 N VAL A 63 44.746 26.511 5.017 1.00 23.54 N ATOM 542 CA VAL A 63 45.473 27.236 6.054 1.00 22.17 C ATOM 543 C VAL A 63 46.862 26.658 6.185 1.00 21.30 C ATOM 544 O VAL A 63 47.831 27.398 6.189 1.00 22.36 O ATOM 545 CB VAL A 63 44.735 27.208 7.417 1.00 21.92 C ATOM 546 CG1 VAL A 63 45.574 27.855 8.491 1.00 21.28 C ATOM 547 CG2 VAL A 63 43.418 27.919 7.298 1.00 20.82 C ATOM 548 H VAL A 63 43.895 25.973 5.278 1.00 0.00 H ATOM 549 N TYR A 64 46.967 25.339 6.212 1.00 21.85 N ATOM 550 CA TYR A 64 48.243 24.678 6.440 1.00 22.77 C ATOM 551 C TYR A 64 49.224 24.810 5.262 1.00 22.24 C ATOM 552 O TYR A 64 50.438 24.807 5.462 1.00 22.08 O ATOM 553 CB TYR A 64 48.046 23.213 6.808 1.00 23.45 C ATOM 554 CG TYR A 64 47.677 22.972 8.263 1.00 24.83 C ATOM 555 CD1 TYR A 64 46.368 23.167 8.729 1.00 27.58 C ATOM 556 CD2 TYR A 64 48.633 22.544 9.174 1.00 27.02 C ATOM 557 CE1 TYR A 64 46.041 22.952 10.075 1.00 26.94 C ATOM 558 CE2 TYR A 64 48.314 22.319 10.504 1.00 27.25 C ATOM 559 CZ TYR A 64 47.025 22.505 10.945 1.00 27.54 C ATOM 560 OH TYR A 64 46.759 22.263 12.264 1.00 29.14 O ATOM 561 HH TYR A 64 45.801 22.435 12.443 1.00 0.00 H ATOM 562 H TYR A 64 46.115 24.760 6.066 1.00 0.00 H ATOM 563 N ALA A 65 48.689 24.918 4.052 1.00 22.46 N ATOM 564 CA ALA A 65 49.497 25.149 2.852 1.00 22.71 C ATOM 565 C ALA A 65 50.103 26.547 2.876 1.00 22.08 C ATOM 566 O ALA A 65 51.282 26.705 2.615 1.00 22.68 O ATOM 567 CB ALA A 65 48.651 24.979 1.580 1.00 23.42 C ATOM 568 H ALA A 65 47.657 24.836 3.952 1.00 0.00 H ATOM 569 N MET A 66 49.286 27.551 3.170 1.00 21.40 N ATOM 570 CA MET A 66 49.774 28.915 3.336 1.00 21.40 C ATOM 571 C MET A 66 50.795 28.990 4.448 1.00 20.24 C ATOM 572 O MET A 66 51.847 29.566 4.264 1.00 19.46 O ATOM 573 CB MET A 66 48.624 29.896 3.571 1.00 22.20 C ATOM 574 CG MET A 66 47.661 30.003 2.359 1.00 25.92 C ATOM 575 SD MET A 66 48.455 30.808 0.943 1.00 31.54 S ATOM 576 CE MET A 66 48.859 32.361 1.750 1.00 22.73 C ATOM 577 H MET A 66 48.270 27.360 3.285 1.00 0.00 H ATOM 578 N ALA A 67 50.528 28.333 5.580 1.00 20.58 N ATOM 579 CA ALA A 67 51.506 28.286 6.665 1.00 19.79 C ATOM 580 C ALA A 67 52.831 27.663 6.227 1.00 20.11 C ATOM 581 O ALA A 67 53.931 28.100 6.623 1.00 19.61 O ATOM 582 CB ALA A 67 50.918 27.546 7.888 1.00 20.00 C ATOM 583 H ALA A 67 49.614 27.849 5.690 1.00 0.00 H ATOM 584 N THR A 68 52.749 26.644 5.388 1.00 19.85 N ATOM 585 CA THR A 68 53.935 25.933 4.979 1.00 19.32 C ATOM 586 C THR A 68 54.807 26.822 4.112 1.00 19.09 C ATOM 587 O THR A 68 56.019 26.853 4.277 1.00 20.15 O ATOM 588 CB THR A 68 53.578 24.593 4.268 1.00 20.33 C ATOM 589 OG1 THR A 68 52.922 23.732 5.202 1.00 18.90 O ATOM 590 CG2 THR A 68 54.836 23.901 3.768 1.00 18.65 C ATOM 591 HG1 THR A 68 52.095 24.169 5.527 1.00 0.00 H ATOM 592 H THR A 68 51.821 26.353 5.020 1.00 0.00 H ATOM 593 N LEU A 69 54.188 27.585 3.226 1.00 18.90 N ATOM 594 CA LEU A 69 54.906 28.530 2.386 1.00 18.20 C ATOM 595 C LEU A 69 55.630 29.582 3.204 1.00 18.62 C ATOM 596 O LEU A 69 56.787 29.868 2.941 1.00 17.59 O ATOM 597 CB LEU A 69 53.972 29.213 1.376 1.00 18.13 C ATOM 598 CG LEU A 69 53.419 28.340 0.243 1.00 18.97 C ATOM 599 CD1 LEU A 69 52.637 29.235 -0.703 1.00 22.20 C ATOM 600 CD2 LEU A 69 54.530 27.621 -0.502 1.00 23.73 C ATOM 601 H LEU A 69 53.156 27.506 3.127 1.00 0.00 H ATOM 602 N PHE A 70 54.973 30.167 4.200 1.00 18.40 N ATOM 603 CA PHE A 70 55.649 31.200 4.955 1.00 18.64 C ATOM 604 C PHE A 70 56.750 30.559 5.790 1.00 18.48 C ATOM 605 O PHE A 70 57.784 31.151 5.967 1.00 19.19 O ATOM 606 CB PHE A 70 54.634 32.014 5.789 1.00 19.34 C ATOM 607 CG PHE A 70 53.741 32.888 4.959 1.00 20.37 C ATOM 608 CD1 PHE A 70 54.277 33.894 4.161 1.00 20.44 C ATOM 609 CD2 PHE A 70 52.372 32.721 4.980 1.00 19.96 C ATOM 610 CE1 PHE A 70 53.438 34.728 3.395 1.00 20.27 C ATOM 611 CE2 PHE A 70 51.533 33.545 4.217 1.00 19.98 C ATOM 612 CZ PHE A 70 52.062 34.528 3.423 1.00 20.14 C ATOM 613 H PHE A 70 53.998 29.889 4.431 1.00 0.00 H ATOM 614 N ALA A 71 56.545 29.332 6.268 1.00 18.85 N ATOM 615 CA ALA A 71 57.597 28.596 6.979 1.00 19.26 C ATOM 616 C ALA A 71 58.832 28.348 6.108 1.00 19.48 C ATOM 617 O ALA A 71 59.949 28.543 6.559 1.00 19.34 O ATOM 618 CB ALA A 71 57.090 27.275 7.530 1.00 18.22 C ATOM 619 H ALA A 71 55.616 28.885 6.134 1.00 0.00 H ATOM 620 N LEU A 72 58.617 27.946 4.864 1.00 20.42 N ATOM 621 CA LEU A 72 59.732 27.722 3.929 1.00 21.25 C ATOM 622 C LEU A 72 60.478 29.003 3.636 1.00 21.04 C ATOM 623 O LEU A 72 61.696 29.001 3.486 1.00 20.75 O ATOM 624 CB LEU A 72 59.229 27.068 2.629 1.00 21.87 C ATOM 625 CG LEU A 72 58.782 25.611 2.782 1.00 22.93 C ATOM 626 CD1 LEU A 72 58.014 25.142 1.552 1.00 25.39 C ATOM 627 CD2 LEU A 72 59.973 24.707 3.053 1.00 26.62 C ATOM 628 H LEU A 72 57.641 27.786 4.542 1.00 0.00 H ATOM 629 N ASP A 73 59.768 30.121 3.597 1.00 21.28 N ATOM 630 CA ASP A 73 60.431 31.422 3.437 1.00 21.02 C ATOM 631 C ASP A 73 61.384 31.697 4.605 1.00 20.87 C ATOM 632 O ASP A 73 62.574 31.968 4.413 1.00 20.99 O ATOM 633 CB ASP A 73 59.392 32.553 3.341 1.00 21.20 C ATOM 634 CG ASP A 73 60.011 33.943 3.437 1.00 21.76 C ATOM 635 OD1 ASP A 73 61.204 34.127 3.102 1.00 24.48 O ATOM 636 OD2 ASP A 73 59.299 34.882 3.833 1.00 21.75 O ATOM 637 H ASP A 73 58.732 30.077 3.680 1.00 0.00 H ATOM 638 N ARG A 74 60.852 31.668 5.819 1.00 20.43 N ATOM 639 CA ARG A 74 61.693 31.877 7.006 1.00 20.00 C ATOM 640 C ARG A 74 62.860 30.855 7.096 1.00 20.43 C ATOM 641 O ARG A 74 63.997 31.224 7.425 1.00 19.78 O ATOM 642 CB ARG A 74 60.822 31.852 8.276 1.00 19.22 C ATOM 643 CG ARG A 74 60.101 33.172 8.550 1.00 18.60 C ATOM 644 CD ARG A 74 59.231 33.128 9.802 1.00 17.81 C ATOM 645 NE ARG A 74 58.128 32.190 9.649 1.00 18.03 N ATOM 646 CZ ARG A 74 56.938 32.493 9.150 1.00 15.57 C ATOM 647 NH1 ARG A 74 56.680 33.721 8.727 1.00 16.41 N ATOM 648 NH2 ARG A 74 56.022 31.547 9.032 1.00 17.80 N ATOM 649 HE ARG A 74 58.286 31.208 9.954 1.00 0.00 H ATOM 650 HH12 ARG A 74 55.744 33.951 8.337 1.00 0.00 H ATOM 651 HH11 ARG A 74 57.414 34.456 8.785 1.00 0.00 H ATOM 652 HH22 ARG A 74 55.086 31.776 8.642 1.00 0.00 H ATOM 653 HH21 ARG A 74 56.238 30.574 9.330 1.00 0.00 H ATOM 654 H ARG A 74 59.833 31.496 5.932 1.00 0.00 H ATOM 655 N ALA A 75 62.590 29.583 6.782 1.00 20.69 N ATOM 656 CA ALA A 75 63.626 28.539 6.880 1.00 21.77 C ATOM 657 C ALA A 75 64.767 28.809 5.908 1.00 21.83 C ATOM 658 O ALA A 75 65.924 28.486 6.184 1.00 22.99 O ATOM 659 CB ALA A 75 63.032 27.157 6.610 1.00 22.64 C ATOM 660 H ALA A 75 61.634 29.327 6.464 1.00 0.00 H ATOM 661 N GLY A 76 64.440 29.432 4.792 1.00 21.67 N ATOM 662 CA GLY A 76 65.442 29.817 3.803 1.00 22.50 C ATOM 663 C GLY A 76 66.392 30.871 4.349 1.00 21.86 C ATOM 664 O GLY A 76 67.536 30.973 3.893 1.00 22.30 O ATOM 665 H GLY A 76 63.440 29.655 4.612 1.00 0.00 H ATOM 666 N ALA A 77 65.936 31.637 5.340 1.00 20.62 N ATOM 667 CA ALA A 77 66.774 32.668 5.949 1.00 20.44 C ATOM 668 C ALA A 77 67.457 32.215 7.218 1.00 20.04 C ATOM 669 O ALA A 77 68.059 33.044 7.882 1.00 20.94 O ATOM 670 CB ALA A 77 65.941 33.971 6.223 1.00 19.34 C ATOM 671 H ALA A 77 64.965 31.498 5.687 1.00 0.00 H ATOM 672 N VAL A 78 67.384 30.923 7.557 1.00 20.11 N ATOM 673 CA VAL A 78 67.909 30.444 8.827 1.00 19.86 C ATOM 674 C VAL A 78 69.398 30.765 9.011 1.00 20.39 C ATOM 675 O VAL A 78 69.838 31.159 10.099 1.00 20.19 O ATOM 676 CB VAL A 78 67.621 28.938 9.054 1.00 20.28 C ATOM 677 CG1 VAL A 78 68.357 28.019 7.989 1.00 20.92 C ATOM 678 CG2 VAL A 78 68.029 28.560 10.478 1.00 21.52 C ATOM 679 H VAL A 78 66.943 30.248 6.900 1.00 0.00 H ATOM 680 N HIS A 79 70.182 30.645 7.943 1.00 20.92 N ATOM 681 CA HIS A 79 71.614 30.934 8.057 1.00 21.42 C ATOM 682 C HIS A 79 71.902 32.415 8.137 1.00 21.25 C ATOM 683 O HIS A 79 72.831 32.807 8.831 1.00 22.04 O ATOM 684 CB HIS A 79 72.403 30.295 6.922 1.00 21.51 C ATOM 685 CG HIS A 79 72.043 28.865 6.712 1.00 23.18 C ATOM 686 ND1 HIS A 79 72.404 27.871 7.597 1.00 25.10 N ATOM 687 CD2 HIS A 79 71.310 28.270 5.748 1.00 21.75 C ATOM 688 CE1 HIS A 79 71.913 26.721 7.178 1.00 25.28 C ATOM 689 NE2 HIS A 79 71.241 26.937 6.062 1.00 24.88 N ATOM 690 H HIS A 79 69.780 30.347 7.031 1.00 0.00 H ATOM 691 N THR A 80 71.136 33.223 7.408 1.00 21.72 N ATOM 692 CA THR A 80 71.214 34.672 7.522 1.00 22.48 C ATOM 693 C THR A 80 70.930 35.100 8.975 1.00 21.91 C ATOM 694 O THR A 80 71.702 35.837 9.561 1.00 21.96 O ATOM 695 CB THR A 80 70.237 35.415 6.545 1.00 22.67 C ATOM 696 OG1 THR A 80 70.546 35.067 5.188 1.00 24.42 O ATOM 697 CG2 THR A 80 70.359 36.968 6.716 1.00 23.23 C ATOM 698 HG1 THR A 80 69.926 35.539 4.578 1.00 0.00 H ATOM 699 H THR A 80 70.461 32.806 6.736 1.00 0.00 H ATOM 700 N ILE A 81 69.850 34.591 9.560 1.00 21.39 N ATOM 701 CA ILE A 81 69.517 34.896 10.952 1.00 21.14 C ATOM 702 C ILE A 81 70.658 34.559 11.922 1.00 22.60 C ATOM 703 O ILE A 81 71.075 35.408 12.725 1.00 22.13 O ATOM 704 CB ILE A 81 68.247 34.153 11.418 1.00 19.91 C ATOM 705 CG1 ILE A 81 67.020 34.709 10.686 1.00 20.62 C ATOM 706 CG2 ILE A 81 68.077 34.294 12.940 1.00 18.58 C ATOM 707 CD1 ILE A 81 65.797 33.866 10.810 1.00 17.17 C ATOM 708 H ILE A 81 69.227 33.961 9.015 1.00 0.00 H ATOM 709 N GLN A 82 71.166 33.327 11.822 1.00 24.51 N ATOM 710 CA GLN A 82 72.283 32.853 12.649 1.00 25.85 C ATOM 711 C GLN A 82 73.530 33.688 12.397 1.00 26.79 C ATOM 712 O GLN A 82 74.239 34.042 13.344 1.00 28.41 O ATOM 713 CB GLN A 82 72.503 31.326 12.465 1.00 26.84 C ATOM 714 CG GLN A 82 71.296 30.526 13.060 1.00 28.23 C ATOM 715 CD GLN A 82 71.287 29.002 12.857 1.00 32.99 C ATOM 716 OE1 GLN A 82 71.941 28.461 11.979 1.00 36.39 O ATOM 717 NE2 GLN A 82 70.461 28.319 13.647 1.00 37.22 N ATOM 718 HE22 GLN A 82 69.920 28.813 14.385 1.00 0.00 H ATOM 719 HE21 GLN A 82 70.357 27.291 13.526 1.00 0.00 H ATOM 720 H GLN A 82 70.751 32.674 11.127 1.00 0.00 H ATOM 721 N GLY A 83 73.781 34.053 11.140 1.00 27.13 N ATOM 722 CA GLY A 83 74.853 34.989 10.818 1.00 27.43 C ATOM 723 C GLY A 83 74.725 36.312 11.566 1.00 27.59 C ATOM 724 O GLY A 83 75.657 36.750 12.258 1.00 27.79 O ATOM 725 H GLY A 83 73.200 33.662 10.371 1.00 0.00 H ATOM 726 N LEU A 84 73.567 36.954 11.423 1.00 26.90 N ATOM 727 CA LEU A 84 73.300 38.245 12.074 1.00 27.10 C ATOM 728 C LEU A 84 73.418 38.164 13.592 1.00 26.82 C ATOM 729 O LEU A 84 73.942 39.081 14.235 1.00 27.42 O ATOM 730 CB LEU A 84 71.895 38.756 11.697 1.00 26.42 C ATOM 731 CG LEU A 84 71.669 39.146 10.226 1.00 27.47 C ATOM 732 CD1 LEU A 84 70.206 39.493 9.966 1.00 26.63 C ATOM 733 CD2 LEU A 84 72.627 40.285 9.799 1.00 27.49 C ATOM 734 H LEU A 84 72.826 36.528 10.831 1.00 0.00 H ATOM 735 N CYS A 85 72.948 37.063 14.161 1.00 26.97 N ATOM 736 CA CYS A 85 73.088 36.836 15.589 1.00 27.59 C ATOM 737 C CYS A 85 74.548 36.781 16.050 1.00 29.40 C ATOM 738 O CYS A 85 74.857 37.227 17.158 1.00 29.14 O ATOM 739 CB CYS A 85 72.323 35.584 16.024 1.00 27.34 C ATOM 740 SG CYS A 85 70.528 35.850 16.020 1.00 25.10 S ATOM 741 H CYS A 85 72.471 36.349 13.575 1.00 0.00 H ATOM 742 N ARG A 86 75.436 36.262 15.199 1.00 30.50 N ATOM 743 CA ARG A 86 76.877 36.286 15.474 1.00 31.94 C ATOM 744 C ARG A 86 77.454 37.686 15.301 1.00 32.11 C ATOM 745 O ARG A 86 78.353 38.084 16.034 1.00 33.72 O ATOM 746 CB ARG A 86 77.637 35.307 14.554 1.00 32.74 C ATOM 747 CG ARG A 86 77.341 33.839 14.837 1.00 35.88 C ATOM 748 CD ARG A 86 78.317 32.883 14.105 1.00 40.61 C ATOM 749 NE ARG A 86 78.119 32.897 12.652 1.00 43.22 N ATOM 750 CZ ARG A 86 77.164 32.223 12.004 1.00 45.93 C ATOM 751 NH1 ARG A 86 76.296 31.449 12.660 1.00 45.40 N ATOM 752 NH2 ARG A 86 77.071 32.325 10.678 1.00 47.80 N ATOM 753 HE ARG A 86 78.770 33.475 12.083 1.00 0.00 H ATOM 754 HH12 ARG A 86 75.560 30.933 12.136 1.00 0.00 H ATOM 755 HH11 ARG A 86 76.356 31.362 13.695 1.00 0.00 H ATOM 756 HH22 ARG A 86 76.330 31.803 10.167 1.00 0.00 H ATOM 757 HH21 ARG A 86 77.739 32.926 10.155 1.00 0.00 H ATOM 758 H ARG A 86 75.097 35.829 14.317 1.00 0.00 H ATOM 759 N GLY A 87 76.945 38.444 14.339 1.00 31.31 N ATOM 760 CA GLY A 87 77.593 39.703 13.956 1.00 31.06 C ATOM 761 C GLY A 87 77.125 40.950 14.684 1.00 29.82 C ATOM 762 O GLY A 87 77.759 41.998 14.582 1.00 30.40 O ATOM 763 H GLY A 87 76.077 38.143 13.851 1.00 0.00 H ATOM 764 N TYR A 88 76.013 40.845 15.405 1.00 27.29 N ATOM 765 CA TYR A 88 75.381 42.002 15.998 1.00 25.99 C ATOM 766 C TYR A 88 74.983 41.713 17.428 1.00 24.88 C ATOM 767 O TYR A 88 74.732 40.563 17.793 1.00 24.15 O ATOM 768 CB TYR A 88 74.175 42.404 15.146 1.00 25.66 C ATOM 769 CG TYR A 88 74.568 42.949 13.792 1.00 26.38 C ATOM 770 CD1 TYR A 88 74.762 42.100 12.711 1.00 26.94 C ATOM 771 CD2 TYR A 88 74.743 44.324 13.596 1.00 28.47 C ATOM 772 CE1 TYR A 88 75.138 42.585 11.470 1.00 29.69 C ATOM 773 CE2 TYR A 88 75.126 44.825 12.362 1.00 31.70 C ATOM 774 CZ TYR A 88 75.321 43.947 11.299 1.00 31.72 C ATOM 775 OH TYR A 88 75.690 44.430 10.080 1.00 32.77 O ATOM 776 HH TYR A 88 75.785 43.678 9.443 1.00 0.00 H ATOM 777 H TYR A 88 75.587 39.907 15.546 1.00 0.00 H ATOM 778 N ASP A 89 74.952 42.749 18.262 1.00 24.39 N ATOM 779 CA ASP A 89 74.498 42.568 19.635 1.00 23.98 C ATOM 780 C ASP A 89 73.008 42.220 19.676 1.00 22.27 C ATOM 781 O ASP A 89 72.578 41.364 20.443 1.00 21.62 O ATOM 782 CB ASP A 89 74.758 43.831 20.449 1.00 24.42 C ATOM 783 CG ASP A 89 76.234 44.146 20.575 1.00 27.14 C ATOM 784 OD1 ASP A 89 77.047 43.198 20.655 1.00 27.44 O ATOM 785 OD2 ASP A 89 76.566 45.345 20.562 1.00 26.85 O ATOM 786 H ASP A 89 75.252 43.689 17.934 1.00 0.00 H ATOM 787 N VAL A 90 72.229 42.893 18.840 1.00 21.50 N ATOM 788 CA VAL A 90 70.774 42.695 18.815 1.00 20.23 C ATOM 789 C VAL A 90 70.315 42.508 17.378 1.00 19.85 C ATOM 790 O VAL A 90 70.726 43.243 16.478 1.00 20.75 O ATOM 791 CB VAL A 90 70.033 43.907 19.429 1.00 20.56 C ATOM 792 CG1 VAL A 90 68.512 43.745 19.325 1.00 18.66 C ATOM 793 CG2 VAL A 90 70.446 44.143 20.901 1.00 18.53 C ATOM 794 H VAL A 90 72.659 43.578 18.186 1.00 0.00 H ATOM 795 N VAL A 91 69.495 41.491 17.162 1.00 18.48 N ATOM 796 CA VAL A 91 68.887 41.252 15.881 1.00 17.88 C ATOM 797 C VAL A 91 67.378 41.374 16.044 1.00 17.24 C ATOM 798 O VAL A 91 66.800 40.679 16.872 1.00 17.24 O ATOM 799 CB VAL A 91 69.237 39.856 15.360 1.00 18.06 C ATOM 800 CG1 VAL A 91 68.462 39.557 14.101 1.00 17.35 C ATOM 801 CG2 VAL A 91 70.767 39.732 15.126 1.00 16.86 C ATOM 802 H VAL A 91 69.283 40.842 17.947 1.00 0.00 H ATOM 803 N ILE A 92 66.755 42.270 15.276 1.00 16.92 N ATOM 804 CA ILE A 92 65.297 42.487 15.340 1.00 16.80 C ATOM 805 C ILE A 92 64.617 42.022 14.051 1.00 16.98 C ATOM 806 O ILE A 92 64.965 42.465 12.955 1.00 17.13 O ATOM 807 CB ILE A 92 64.929 43.958 15.594 1.00 16.49 C ATOM 808 CG1 ILE A 92 65.695 44.499 16.826 1.00 18.31 C ATOM 809 CG2 ILE A 92 63.402 44.097 15.814 1.00 18.10 C ATOM 810 CD1 ILE A 92 65.553 46.059 17.039 1.00 17.81 C ATOM 811 H ILE A 92 67.317 42.836 14.608 1.00 0.00 H ATOM 812 N LEU A 93 63.637 41.138 14.207 1.00 17.11 N ATOM 813 CA LEU A 93 62.868 40.589 13.109 1.00 17.37 C ATOM 814 C LEU A 93 61.480 41.208 13.100 1.00 17.42 C ATOM 815 O LEU A 93 60.740 41.125 14.089 1.00 17.46 O ATOM 816 CB LEU A 93 62.782 39.053 13.251 1.00 17.46 C ATOM 817 CG LEU A 93 64.101 38.265 13.419 1.00 19.35 C ATOM 818 CD1 LEU A 93 63.839 36.770 13.552 1.00 22.19 C ATOM 819 CD2 LEU A 93 65.028 38.500 12.254 1.00 20.38 C ATOM 820 H LEU A 93 63.409 40.823 15.172 1.00 0.00 H ATOM 821 N ASP A 94 61.134 41.855 11.993 1.00 17.14 N ATOM 822 CA ASP A 94 59.807 42.405 11.784 1.00 16.54 C ATOM 823 C ASP A 94 58.938 41.263 11.234 1.00 16.70 C ATOM 824 O ASP A 94 58.974 40.996 10.050 1.00 16.62 O ATOM 825 CB ASP A 94 59.915 43.567 10.818 1.00 17.18 C ATOM 826 CG ASP A 94 58.585 44.281 10.566 1.00 19.20 C ATOM 827 OD1 ASP A 94 57.500 43.745 10.854 1.00 20.59 O ATOM 828 OD2 ASP A 94 58.669 45.403 10.072 1.00 22.72 O ATOM 829 H ASP A 94 61.845 41.973 11.243 1.00 0.00 H ATOM 830 N ARG A 95 58.172 40.629 12.141 1.00 15.12 N ATOM 831 CA ARG A 95 57.527 39.309 11.999 1.00 15.64 C ATOM 832 C ARG A 95 58.483 38.137 12.048 1.00 15.33 C ATOM 833 O ARG A 95 59.602 38.210 11.528 1.00 16.45 O ATOM 834 CB ARG A 95 56.677 39.165 10.729 1.00 14.81 C ATOM 835 CG ARG A 95 55.563 40.153 10.612 1.00 15.90 C ATOM 836 CD ARG A 95 54.609 39.722 9.529 1.00 14.01 C ATOM 837 NE ARG A 95 53.434 40.571 9.462 1.00 15.96 N ATOM 838 CZ ARG A 95 52.437 40.558 10.342 1.00 16.89 C ATOM 839 NH1 ARG A 95 52.453 39.728 11.383 1.00 14.80 N ATOM 840 NH2 ARG A 95 51.428 41.395 10.194 1.00 17.78 N ATOM 841 HE ARG A 95 53.367 41.239 8.667 1.00 0.00 H ATOM 842 HH12 ARG A 95 51.665 39.730 12.062 1.00 0.00 H ATOM 843 HH11 ARG A 95 53.253 39.077 11.517 1.00 0.00 H ATOM 844 HH22 ARG A 95 50.644 41.391 10.878 1.00 0.00 H ATOM 845 HH21 ARG A 95 51.416 42.059 9.393 1.00 0.00 H ATOM 846 H ARG A 95 58.017 41.124 13.042 1.00 0.00 H ATOM 847 N TYR A 96 58.022 37.045 12.655 1.00 15.01 N ATOM 848 CA TYR A 96 58.782 35.807 12.712 1.00 15.03 C ATOM 849 C TYR A 96 57.785 34.664 12.827 1.00 14.79 C ATOM 850 O TYR A 96 56.680 34.779 12.319 1.00 14.84 O ATOM 851 CB TYR A 96 59.780 35.867 13.865 1.00 15.15 C ATOM 852 CG TYR A 96 60.898 34.845 13.867 1.00 15.86 C ATOM 853 CD1 TYR A 96 61.579 34.479 12.691 1.00 15.99 C ATOM 854 CD2 TYR A 96 61.303 34.250 15.071 1.00 15.18 C ATOM 855 CE1 TYR A 96 62.633 33.538 12.725 1.00 17.59 C ATOM 856 CE2 TYR A 96 62.330 33.336 15.105 1.00 13.78 C ATOM 857 CZ TYR A 96 63.002 32.982 13.944 1.00 17.45 C ATOM 858 OH TYR A 96 64.034 32.072 14.038 1.00 15.68 O ATOM 859 HH TYR A 96 63.688 31.219 14.403 1.00 0.00 H ATOM 860 H TYR A 96 57.085 37.079 13.104 1.00 0.00 H ATOM 861 N VAL A 97 58.177 33.576 13.471 1.00 13.99 N ATOM 862 CA VAL A 97 57.422 32.376 13.489 1.00 14.60 C ATOM 863 C VAL A 97 56.012 32.553 14.124 1.00 14.99 C ATOM 864 O VAL A 97 55.049 31.919 13.691 1.00 15.81 O ATOM 865 CB VAL A 97 58.235 31.243 14.176 1.00 15.41 C ATOM 866 CG1 VAL A 97 57.466 29.949 14.135 1.00 15.66 C ATOM 867 CG2 VAL A 97 59.628 31.052 13.508 1.00 14.12 C ATOM 868 H VAL A 97 59.080 33.603 13.987 1.00 0.00 H ATOM 869 N ALA A 98 55.886 33.403 15.135 1.00 14.65 N ATOM 870 CA ALA A 98 54.581 33.581 15.782 1.00 14.54 C ATOM 871 C ALA A 98 53.512 34.154 14.854 1.00 13.97 C ATOM 872 O ALA A 98 52.312 33.958 15.102 1.00 14.96 O ATOM 873 CB ALA A 98 54.703 34.439 17.035 1.00 14.97 C ATOM 874 H ALA A 98 56.711 33.942 15.468 1.00 0.00 H ATOM 875 N SER A 99 53.922 34.890 13.834 1.00 13.81 N ATOM 876 CA SER A 99 52.991 35.329 12.812 1.00 14.79 C ATOM 877 C SER A 99 52.235 34.123 12.224 1.00 14.93 C ATOM 878 O SER A 99 51.010 34.170 12.042 1.00 15.06 O ATOM 879 CB SER A 99 53.683 36.126 11.690 1.00 15.19 C ATOM 880 OG SER A 99 54.017 37.457 12.100 1.00 16.01 O ATOM 881 HG SER A 99 54.632 37.418 12.875 1.00 0.00 H ATOM 882 H SER A 99 54.925 35.157 13.764 1.00 0.00 H ATOM 883 N ASN A 100 52.940 33.030 11.982 1.00 14.80 N ATOM 884 CA ASN A 100 52.295 31.836 11.410 1.00 14.64 C ATOM 885 C ASN A 100 51.326 31.206 12.417 1.00 14.72 C ATOM 886 O ASN A 100 50.211 30.818 12.050 1.00 14.94 O ATOM 887 CB ASN A 100 53.355 30.835 10.964 1.00 14.83 C ATOM 888 CG ASN A 100 52.995 30.083 9.676 1.00 17.59 C ATOM 889 OD1 ASN A 100 52.039 30.432 8.982 1.00 18.87 O ATOM 890 ND2 ASN A 100 53.800 29.047 9.337 1.00 15.84 N ATOM 891 HD22 ASN A 100 54.597 28.785 9.952 1.00 0.00 H ATOM 892 HD21 ASN A 100 53.621 28.514 8.462 1.00 0.00 H ATOM 893 H ASN A 100 53.957 33.014 12.197 1.00 0.00 H ATOM 894 N ALA A 101 51.741 31.121 13.680 1.00 13.92 N ATOM 895 CA ALA A 101 50.898 30.539 14.727 1.00 14.72 C ATOM 896 C ALA A 101 49.617 31.347 14.915 1.00 14.80 C ATOM 897 O ALA A 101 48.558 30.767 14.966 1.00 16.29 O ATOM 898 CB ALA A 101 51.658 30.407 16.047 1.00 14.90 C ATOM 899 H ALA A 101 52.686 31.476 13.929 1.00 0.00 H ATOM 900 N ALA A 102 49.720 32.675 14.993 1.00 15.30 N ATOM 901 CA ALA A 102 48.549 33.561 15.207 1.00 15.44 C ATOM 902 C ALA A 102 47.575 33.604 14.019 1.00 16.39 C ATOM 903 O ALA A 102 46.351 33.533 14.217 1.00 15.71 O ATOM 904 CB ALA A 102 48.992 34.989 15.553 1.00 15.00 C ATOM 905 H ALA A 102 50.661 33.108 14.900 1.00 0.00 H ATOM 906 N TYR A 103 48.095 33.761 12.794 1.00 16.20 N ATOM 907 CA TYR A 103 47.216 33.811 11.634 1.00 16.82 C ATOM 908 C TYR A 103 46.612 32.443 11.340 1.00 17.90 C ATOM 909 O TYR A 103 45.452 32.369 10.965 1.00 18.66 O ATOM 910 CB TYR A 103 47.909 34.418 10.408 1.00 17.06 C ATOM 911 CG TYR A 103 48.033 35.921 10.475 1.00 17.59 C ATOM 912 CD1 TYR A 103 49.129 36.522 11.101 1.00 18.81 C ATOM 913 CD2 TYR A 103 47.075 36.735 9.926 1.00 19.95 C ATOM 914 CE1 TYR A 103 49.253 37.864 11.167 1.00 18.84 C ATOM 915 CE2 TYR A 103 47.194 38.121 9.993 1.00 19.79 C ATOM 916 CZ TYR A 103 48.281 38.674 10.612 1.00 19.29 C ATOM 917 OH TYR A 103 48.425 40.038 10.696 1.00 21.56 O ATOM 918 HH TYR A 103 49.265 40.251 11.174 1.00 0.00 H ATOM 919 H TYR A 103 49.124 33.847 12.672 1.00 0.00 H ATOM 920 N SER A 104 47.373 31.365 11.557 1.00 18.86 N ATOM 921 CA SER A 104 46.866 30.019 11.328 1.00 19.83 C ATOM 922 C SER A 104 45.747 29.675 12.328 1.00 20.91 C ATOM 923 O SER A 104 44.655 29.241 11.935 1.00 21.74 O ATOM 924 CB SER A 104 47.969 28.953 11.411 1.00 20.19 C ATOM 925 OG SER A 104 48.975 29.118 10.422 1.00 20.78 O ATOM 926 HG SER A 104 49.403 30.004 10.533 1.00 0.00 H ATOM 927 H SER A 104 48.348 31.490 11.897 1.00 0.00 H ATOM 928 N ALA A 105 46.018 29.828 13.614 1.00 20.70 N ATOM 929 CA ALA A 105 44.992 29.546 14.638 1.00 21.05 C ATOM 930 C ALA A 105 43.753 30.439 14.449 1.00 21.60 C ATOM 931 O ALA A 105 42.606 29.954 14.484 1.00 22.35 O ATOM 932 CB ALA A 105 45.566 29.727 16.016 1.00 20.70 C ATOM 933 H ALA A 105 46.963 30.150 13.906 1.00 0.00 H ATOM 934 N ALA A 106 43.964 31.734 14.237 1.00 20.47 N ATOM 935 CA ALA A 106 42.841 32.643 14.015 1.00 21.45 C ATOM 936 C ALA A 106 41.993 32.153 12.834 1.00 22.65 C ATOM 937 O ALA A 106 40.771 32.118 12.915 1.00 23.13 O ATOM 938 CB ALA A 106 43.319 34.063 13.765 1.00 20.55 C ATOM 939 H ALA A 106 44.936 32.104 14.229 1.00 0.00 H ATOM 940 N ARG A 107 42.636 31.753 11.745 1.00 23.90 N ATOM 941 CA ARG A 107 41.869 31.273 10.578 1.00 25.67 C ATOM 942 C ARG A 107 41.100 29.994 10.830 1.00 25.33 C ATOM 943 O ARG A 107 40.061 29.819 10.239 1.00 25.41 O ATOM 944 CB ARG A 107 42.738 31.075 9.341 1.00 26.17 C ATOM 945 CG ARG A 107 42.726 32.287 8.460 1.00 32.79 C ATOM 946 CD ARG A 107 43.102 31.949 7.043 1.00 39.54 C ATOM 947 NE ARG A 107 41.957 31.790 6.144 1.00 43.95 N ATOM 948 CZ ARG A 107 41.278 32.793 5.589 1.00 47.32 C ATOM 949 NH1 ARG A 107 41.575 34.062 5.862 1.00 49.45 N ATOM 950 NH2 ARG A 107 40.274 32.529 4.771 1.00 49.40 N ATOM 951 HE ARG A 107 41.651 30.821 5.922 1.00 0.00 H ATOM 952 HH12 ARG A 107 41.032 34.830 5.418 1.00 0.00 H ATOM 953 HH11 ARG A 107 42.350 34.285 6.519 1.00 0.00 H ATOM 954 HH22 ARG A 107 39.740 33.308 4.335 1.00 0.00 H ATOM 955 HH21 ARG A 107 40.018 31.543 4.564 1.00 0.00 H ATOM 956 H ARG A 107 43.675 31.777 11.713 1.00 0.00 H ATOM 957 N LEU A 108 41.634 29.118 11.682 1.00 24.99 N ATOM 958 CA LEU A 108 41.013 27.841 12.011 1.00 25.61 C ATOM 959 C LEU A 108 40.090 27.908 13.228 1.00 26.41 C ATOM 960 O LEU A 108 39.573 26.874 13.690 1.00 25.79 O ATOM 961 CB LEU A 108 42.120 26.818 12.267 1.00 25.76 C ATOM 962 CG LEU A 108 42.995 26.517 11.049 1.00 25.34 C ATOM 963 CD1 LEU A 108 44.301 25.809 11.449 1.00 25.44 C ATOM 964 CD2 LEU A 108 42.216 25.727 10.013 1.00 26.96 C ATOM 965 H LEU A 108 42.539 29.358 12.134 1.00 0.00 H ATOM 966 N HIS A 109 39.914 29.112 13.771 1.00 26.26 N ATOM 967 CA HIS A 109 39.170 29.319 14.987 1.00 27.52 C ATOM 968 C HIS A 109 39.696 28.417 16.100 1.00 27.40 C ATOM 969 O HIS A 109 38.925 27.754 16.772 1.00 27.86 O ATOM 970 CB HIS A 109 37.673 29.074 14.750 1.00 28.83 C ATOM 971 CG HIS A 109 37.026 30.108 13.888 1.00 32.51 C ATOM 972 ND1 HIS A 109 35.930 30.833 14.295 1.00 36.76 N ATOM 973 CD2 HIS A 109 37.328 30.550 12.643 1.00 36.72 C ATOM 974 CE1 HIS A 109 35.578 31.674 13.335 1.00 38.21 C ATOM 975 NE2 HIS A 109 36.416 31.526 12.324 1.00 37.74 N ATOM 976 H HIS A 109 40.332 29.938 13.297 1.00 0.00 H ATOM 977 N GLU A 110 41.015 28.373 16.252 1.00 26.55 N ATOM 978 CA GLU A 110 41.652 27.642 17.337 1.00 26.52 C ATOM 979 C GLU A 110 42.292 28.638 18.281 1.00 25.97 C ATOM 980 O GLU A 110 42.557 29.785 17.914 1.00 25.18 O ATOM 981 CB GLU A 110 42.729 26.698 16.812 1.00 25.87 C ATOM 982 CG GLU A 110 42.237 25.613 15.864 1.00 27.64 C ATOM 983 CD GLU A 110 43.353 24.704 15.348 1.00 27.64 C ATOM 984 OE1 GLU A 110 44.543 24.926 15.695 1.00 24.74 O ATOM 985 OE2 GLU A 110 43.029 23.755 14.608 1.00 27.21 O ATOM 986 H GLU A 110 41.615 28.880 15.570 1.00 0.00 H ATOM 987 N ASN A 111 42.574 28.182 19.493 1.00 26.48 N ATOM 988 CA ASN A 111 43.323 28.992 20.433 1.00 26.37 C ATOM 989 C ASN A 111 44.806 28.657 20.368 1.00 26.52 C ATOM 990 O ASN A 111 45.209 27.717 19.674 1.00 26.65 O ATOM 991 CB ASN A 111 42.730 28.908 21.859 1.00 27.20 C ATOM 992 CG ASN A 111 42.876 27.546 22.514 1.00 28.29 C ATOM 993 OD1 ASN A 111 43.798 26.786 22.234 1.00 27.78 O ATOM 994 ND2 ASN A 111 41.967 27.255 23.451 1.00 30.14 N ATOM 995 HD22 ASN A 111 41.201 27.927 23.658 1.00 0.00 H ATOM 996 HD21 ASN A 111 42.027 26.357 23.972 1.00 0.00 H ATOM 997 H ASN A 111 42.254 27.233 19.773 1.00 0.00 H ATOM 998 N ALA A 112 45.613 29.443 21.079 1.00 26.73 N ATOM 999 CA ALA A 112 47.069 29.261 21.143 1.00 26.60 C ATOM 1000 C ALA A 112 47.491 27.909 21.705 1.00 27.18 C ATOM 1001 O ALA A 112 48.607 27.471 21.449 1.00 27.02 O ATOM 1002 CB ALA A 112 47.698 30.384 21.950 1.00 26.40 C ATOM 1003 H ALA A 112 45.190 30.226 21.617 1.00 0.00 H ATOM 1004 N ALA A 113 46.614 27.244 22.460 1.00 27.83 N ATOM 1005 CA ALA A 113 46.858 25.868 22.906 1.00 28.53 C ATOM 1006 C ALA A 113 46.442 24.821 21.855 1.00 28.64 C ATOM 1007 O ALA A 113 46.597 23.633 22.072 1.00 29.40 O ATOM 1008 CB ALA A 113 46.120 25.587 24.249 1.00 29.59 C ATOM 1009 H ALA A 113 45.731 27.716 22.741 1.00 0.00 H ATOM 1010 N GLY A 114 45.910 25.267 20.718 1.00 27.74 N ATOM 1011 CA GLY A 114 45.395 24.354 19.708 1.00 27.53 C ATOM 1012 C GLY A 114 46.435 23.668 18.838 1.00 26.95 C ATOM 1013 O GLY A 114 47.649 23.819 19.034 1.00 25.93 O ATOM 1014 H GLY A 114 45.861 26.292 20.548 1.00 0.00 H ATOM 1015 N LYS A 115 45.938 22.936 17.839 1.00 26.47 N ATOM 1016 CA LYS A 115 46.787 22.080 17.006 1.00 26.58 C ATOM 1017 C LYS A 115 47.717 22.867 16.068 1.00 24.89 C ATOM 1018 O LYS A 115 48.898 22.554 15.950 1.00 25.12 O ATOM 1019 CB LYS A 115 45.912 21.123 16.195 1.00 26.84 C ATOM 1020 CG LYS A 115 45.113 20.129 17.061 1.00 30.37 C ATOM 1021 H LYS A 115 44.917 22.974 17.646 1.00 0.00 H ATOM 1022 N ALA A 116 47.179 23.879 15.395 1.00 24.25 N ATOM 1023 CA ALA A 116 47.964 24.662 14.410 1.00 23.04 C ATOM 1024 C ALA A 116 49.143 25.359 15.062 1.00 22.27 C ATOM 1025 O ALA A 116 50.260 25.314 14.545 1.00 22.05 O ATOM 1026 CB ALA A 116 47.078 25.662 13.673 1.00 22.10 C ATOM 1027 H ALA A 116 46.183 24.128 15.563 1.00 0.00 H ATOM 1028 N ALA A 117 48.912 25.983 16.212 1.00 22.11 N ATOM 1029 CA ALA A 117 49.999 26.677 16.904 1.00 22.01 C ATOM 1030 C ALA A 117 51.108 25.717 17.327 1.00 22.51 C ATOM 1031 O ALA A 117 52.298 26.081 17.282 1.00 21.97 O ATOM 1032 CB ALA A 117 49.476 27.465 18.097 1.00 21.73 C ATOM 1033 H ALA A 117 47.956 25.978 16.622 1.00 0.00 H ATOM 1034 N ALA A 118 50.732 24.500 17.739 1.00 23.09 N ATOM 1035 CA ALA A 118 51.723 23.471 18.094 1.00 23.89 C ATOM 1036 C ALA A 118 52.485 22.982 16.850 1.00 23.59 C ATOM 1037 O ALA A 118 53.708 22.806 16.869 1.00 23.78 O ATOM 1038 CB ALA A 118 51.030 22.278 18.804 1.00 25.36 C ATOM 1039 H ALA A 118 49.719 24.277 17.810 1.00 0.00 H ATOM 1040 N TRP A 119 51.743 22.769 15.770 1.00 23.60 N ATOM 1041 CA TRP A 119 52.303 22.350 14.475 1.00 22.87 C ATOM 1042 C TRP A 119 53.345 23.346 13.998 1.00 22.08 C ATOM 1043 O TRP A 119 54.443 22.961 13.588 1.00 22.39 O ATOM 1044 CB TRP A 119 51.167 22.202 13.445 1.00 22.98 C ATOM 1045 CG TRP A 119 51.604 21.867 12.047 1.00 22.63 C ATOM 1046 CD1 TRP A 119 51.854 20.623 11.538 1.00 25.15 C ATOM 1047 CD2 TRP A 119 51.834 22.793 10.971 1.00 22.80 C ATOM 1048 NE1 TRP A 119 52.227 20.721 10.213 1.00 24.05 N ATOM 1049 CE2 TRP A 119 52.224 22.039 9.844 1.00 24.27 C ATOM 1050 CE3 TRP A 119 51.747 24.185 10.855 1.00 22.59 C ATOM 1051 CZ2 TRP A 119 52.524 22.629 8.622 1.00 24.69 C ATOM 1052 CZ3 TRP A 119 52.043 24.766 9.647 1.00 23.88 C ATOM 1053 CH2 TRP A 119 52.438 23.990 8.545 1.00 24.63 C ATOM 1054 HE1 TRP A 119 52.471 19.922 9.594 1.00 0.00 H ATOM 1055 H TRP A 119 50.714 22.905 15.843 1.00 0.00 H ATOM 1056 N VAL A 120 53.025 24.635 14.072 1.00 21.42 N ATOM 1057 CA VAL A 120 53.985 25.680 13.670 1.00 20.38 C ATOM 1058 C VAL A 120 55.305 25.538 14.448 1.00 21.72 C ATOM 1059 O VAL A 120 56.391 25.616 13.862 1.00 21.76 O ATOM 1060 CB VAL A 120 53.382 27.087 13.850 1.00 19.47 C ATOM 1061 CG1 VAL A 120 54.454 28.184 13.709 1.00 18.86 C ATOM 1062 CG2 VAL A 120 52.205 27.318 12.861 1.00 17.64 C ATOM 1063 H VAL A 120 52.084 24.910 14.419 1.00 0.00 H ATOM 1064 N GLN A 121 55.230 25.308 15.756 1.00 22.87 N ATOM 1065 CA GLN A 121 56.462 25.125 16.540 1.00 24.65 C ATOM 1066 C GLN A 121 57.252 23.918 16.058 1.00 25.51 C ATOM 1067 O GLN A 121 58.464 24.025 15.857 1.00 25.80 O ATOM 1068 CB GLN A 121 56.184 24.965 18.037 1.00 25.42 C ATOM 1069 CG GLN A 121 56.072 26.235 18.800 1.00 28.40 C ATOM 1070 CD GLN A 121 56.242 26.019 20.293 1.00 32.55 C ATOM 1071 OE1 GLN A 121 55.294 26.144 21.069 1.00 34.24 O ATOM 1072 NE2 GLN A 121 57.446 25.683 20.693 1.00 36.76 N ATOM 1073 HE22 GLN A 121 58.217 25.589 20.001 1.00 0.00 H ATOM 1074 HE21 GLN A 121 57.629 25.511 21.702 1.00 0.00 H ATOM 1075 H GLN A 121 54.302 25.258 16.224 1.00 0.00 H ATOM 1076 N ARG A 122 56.569 22.784 15.860 1.00 26.42 N ATOM 1077 CA ARG A 122 57.250 21.550 15.418 1.00 27.61 C ATOM 1078 C ARG A 122 57.896 21.723 14.060 1.00 26.40 C ATOM 1079 O ARG A 122 58.996 21.228 13.823 1.00 27.29 O ATOM 1080 CB ARG A 122 56.289 20.350 15.325 1.00 28.43 C ATOM 1081 CG ARG A 122 55.713 19.895 16.645 1.00 31.34 C ATOM 1082 CD ARG A 122 55.064 18.510 16.536 1.00 34.07 C ATOM 1083 NE ARG A 122 53.977 18.444 15.549 1.00 34.51 N ATOM 1084 CZ ARG A 122 52.698 18.747 15.776 1.00 36.43 C ATOM 1085 NH1 ARG A 122 52.281 19.184 16.974 1.00 37.60 N ATOM 1086 NH2 ARG A 122 51.823 18.621 14.786 1.00 36.35 N ATOM 1087 HE ARG A 122 54.227 18.134 14.588 1.00 0.00 H ATOM 1088 HH12 ARG A 122 51.278 19.413 17.124 1.00 0.00 H ATOM 1089 HH11 ARG A 122 52.961 19.294 17.753 1.00 0.00 H ATOM 1090 HH22 ARG A 122 50.822 18.853 14.944 1.00 0.00 H ATOM 1091 HH21 ARG A 122 52.139 18.291 13.852 1.00 0.00 H ATOM 1092 H ARG A 122 55.541 22.772 16.020 1.00 0.00 H ATOM 1093 N ILE A 123 57.192 22.371 13.139 1.00 24.83 N ATOM 1094 CA ILE A 123 57.728 22.514 11.802 1.00 24.59 C ATOM 1095 C ILE A 123 58.856 23.553 11.756 1.00 23.26 C ATOM 1096 O ILE A 123 59.940 23.290 11.223 1.00 23.04 O ATOM 1097 CB ILE A 123 56.604 22.828 10.766 1.00 24.26 C ATOM 1098 CG1 ILE A 123 55.684 21.635 10.587 1.00 25.85 C ATOM 1099 CG2 ILE A 123 57.182 23.244 9.443 1.00 26.24 C ATOM 1100 CD1 ILE A 123 56.358 20.291 10.226 1.00 27.63 C ATOM 1101 H ILE A 123 56.263 22.773 13.377 1.00 0.00 H ATOM 1102 N GLU A 124 58.626 24.731 12.322 1.00 22.40 N ATOM 1103 CA GLU A 124 59.577 25.837 12.116 1.00 21.43 C ATOM 1104 C GLU A 124 60.765 25.761 13.051 1.00 22.86 C ATOM 1105 O GLU A 124 61.928 25.823 12.604 1.00 23.69 O ATOM 1106 CB GLU A 124 58.873 27.191 12.187 1.00 20.55 C ATOM 1107 CG GLU A 124 57.851 27.353 11.080 1.00 18.72 C ATOM 1108 CD GLU A 124 57.550 28.786 10.708 1.00 17.74 C ATOM 1109 OE1 GLU A 124 58.501 29.571 10.513 1.00 18.12 O ATOM 1110 OE2 GLU A 124 56.353 29.134 10.576 1.00 20.33 O ATOM 1111 H GLU A 124 57.779 24.873 12.908 1.00 0.00 H ATOM 1112 N PHE A 125 60.497 25.591 14.336 1.00 23.58 N ATOM 1113 CA PHE A 125 61.577 25.541 15.320 1.00 24.52 C ATOM 1114 C PHE A 125 62.289 24.181 15.338 1.00 26.69 C ATOM 1115 O PHE A 125 63.514 24.124 15.250 1.00 27.88 O ATOM 1116 CB PHE A 125 61.065 25.875 16.716 1.00 23.86 C ATOM 1117 CG PHE A 125 60.560 27.285 16.867 1.00 20.74 C ATOM 1118 CD1 PHE A 125 61.264 28.367 16.339 1.00 19.19 C ATOM 1119 CD2 PHE A 125 59.418 27.533 17.600 1.00 20.00 C ATOM 1120 CE1 PHE A 125 60.823 29.650 16.514 1.00 18.35 C ATOM 1121 CE2 PHE A 125 58.959 28.817 17.778 1.00 19.09 C ATOM 1122 CZ PHE A 125 59.656 29.882 17.236 1.00 17.09 C ATOM 1123 H PHE A 125 59.510 25.492 14.648 1.00 0.00 H ATOM 1124 N ALA A 126 61.535 23.094 15.446 1.00 28.05 N ATOM 1125 CA ALA A 126 62.149 21.767 15.602 1.00 29.76 C ATOM 1126 C ALA A 126 62.642 21.218 14.258 1.00 30.66 C ATOM 1127 O ALA A 126 63.842 21.009 14.075 1.00 32.31 O ATOM 1128 CB ALA A 126 61.174 20.796 16.274 1.00 29.92 C ATOM 1129 H ALA A 126 60.499 23.182 15.420 1.00 0.00 H ATOM 1130 N ARG A 127 61.725 21.028 13.310 1.00 30.40 N ATOM 1131 CA ARG A 127 62.051 20.469 11.994 1.00 30.85 C ATOM 1132 C ARG A 127 62.977 21.345 11.123 1.00 29.92 C ATOM 1133 O ARG A 127 64.058 20.906 10.703 1.00 30.84 O ATOM 1134 CB ARG A 127 60.755 20.174 11.251 1.00 30.68 C ATOM 1135 CG ARG A 127 60.918 19.307 10.072 1.00 33.49 C ATOM 1136 CD ARG A 127 59.616 18.639 9.735 1.00 35.39 C ATOM 1137 NE ARG A 127 59.818 17.667 8.686 1.00 38.21 N ATOM 1138 CZ ARG A 127 58.879 16.865 8.212 1.00 37.99 C ATOM 1139 NH1 ARG A 127 57.640 16.910 8.694 1.00 36.41 N ATOM 1140 NH2 ARG A 127 59.198 16.017 7.249 1.00 39.35 N ATOM 1141 HE ARG A 127 60.770 17.592 8.274 1.00 0.00 H ATOM 1142 HH12 ARG A 127 56.910 16.274 8.313 1.00 0.00 H ATOM 1143 HH11 ARG A 127 57.401 17.581 9.452 1.00 0.00 H ATOM 1144 HH22 ARG A 127 58.477 15.376 6.860 1.00 0.00 H ATOM 1145 HH21 ARG A 127 60.170 15.991 6.880 1.00 0.00 H ATOM 1146 H ARG A 127 60.738 21.287 13.512 1.00 0.00 H ATOM 1147 N LEU A 128 62.565 22.582 10.873 1.00 28.00 N ATOM 1148 CA LEU A 128 63.311 23.494 9.997 1.00 26.86 C ATOM 1149 C LEU A 128 64.461 24.197 10.717 1.00 26.55 C ATOM 1150 O LEU A 128 65.288 24.853 10.088 1.00 26.85 O ATOM 1151 CB LEU A 128 62.357 24.494 9.332 1.00 26.34 C ATOM 1152 CG LEU A 128 61.333 23.862 8.357 1.00 26.11 C ATOM 1153 CD1 LEU A 128 60.290 24.868 7.855 1.00 24.50 C ATOM 1154 CD2 LEU A 128 62.015 23.202 7.180 1.00 29.04 C ATOM 1155 H LEU A 128 61.684 22.916 11.313 1.00 0.00 H ATOM 1156 N GLY A 129 64.536 24.059 12.035 1.00 26.15 N ATOM 1157 CA GLY A 129 65.727 24.498 12.778 1.00 25.42 C ATOM 1158 C GLY A 129 65.834 26.001 12.986 1.00 23.90 C ATOM 1159 O GLY A 129 66.901 26.511 13.301 1.00 22.65 O ATOM 1160 H GLY A 129 63.739 23.633 12.551 1.00 0.00 H ATOM 1161 N LEU A 130 64.735 26.726 12.841 1.00 22.63 N ATOM 1162 CA LEU A 130 64.777 28.173 13.103 1.00 22.53 C ATOM 1163 C LEU A 130 65.024 28.441 14.599 1.00 22.60 C ATOM 1164 O LEU A 130 64.475 27.765 15.450 1.00 23.17 O ATOM 1165 CB LEU A 130 63.516 28.864 12.611 1.00 22.06 C ATOM 1166 CG LEU A 130 63.410 29.004 11.093 1.00 22.72 C ATOM 1167 CD1 LEU A 130 61.971 29.188 10.663 1.00 22.11 C ATOM 1168 CD2 LEU A 130 64.278 30.157 10.620 1.00 24.77 C ATOM 1169 H LEU A 130 63.847 26.274 12.543 1.00 0.00 H ATOM 1170 N PRO A 131 65.892 29.405 14.925 1.00 22.78 N ATOM 1171 CA PRO A 131 66.135 29.637 16.339 1.00 22.86 C ATOM 1172 C PRO A 131 64.943 30.306 17.045 1.00 22.15 C ATOM 1173 O PRO A 131 64.302 31.198 16.486 1.00 20.67 O ATOM 1174 CB PRO A 131 67.336 30.585 16.345 1.00 22.84 C ATOM 1175 CG PRO A 131 67.326 31.240 15.055 1.00 23.04 C ATOM 1176 CD PRO A 131 66.737 30.253 14.071 1.00 23.03 C ATOM 1177 N LYS A 132 64.690 29.907 18.283 1.00 22.40 N ATOM 1178 CA LYS A 132 63.647 30.554 19.066 1.00 22.29 C ATOM 1179 C LYS A 132 64.108 31.947 19.434 1.00 21.12 C ATOM 1180 O LYS A 132 65.253 32.149 19.762 1.00 21.35 O ATOM 1181 CB LYS A 132 63.308 29.738 20.318 1.00 23.15 C ATOM 1182 CG LYS A 132 62.554 28.449 19.983 1.00 25.91 C ATOM 1183 CD LYS A 132 62.004 27.755 21.216 1.00 28.11 C ATOM 1184 CE LYS A 132 61.262 26.506 20.845 1.00 29.95 C ATOM 1185 NZ LYS A 132 60.859 25.793 22.080 1.00 33.15 N ATOM 1186 HZ1 LYS A 132 61.707 25.546 22.629 1.00 0.00 H ATOM 1187 HZ2 LYS A 132 60.244 26.409 22.649 1.00 0.00 H ATOM 1188 HZ3 LYS A 132 60.344 24.926 21.826 1.00 0.00 H ATOM 1189 H LYS A 132 65.240 29.127 18.698 1.00 0.00 H ATOM 1190 N PRO A 133 63.218 32.925 19.357 1.00 20.03 N ATOM 1191 CA PRO A 133 63.608 34.276 19.759 1.00 20.06 C ATOM 1192 C PRO A 133 63.745 34.411 21.270 1.00 20.33 C ATOM 1193 O PRO A 133 63.008 33.767 22.001 1.00 20.59 O ATOM 1194 CB PRO A 133 62.464 35.146 19.229 1.00 19.66 C ATOM 1195 CG PRO A 133 61.331 34.253 19.090 1.00 20.03 C ATOM 1196 CD PRO A 133 61.820 32.850 18.936 1.00 21.01 C ATOM 1197 N ASP A 134 64.698 35.229 21.722 1.00 20.44 N ATOM 1198 CA ASP A 134 64.861 35.526 23.139 1.00 20.50 C ATOM 1199 C ASP A 134 63.633 36.268 23.644 1.00 19.75 C ATOM 1200 O ASP A 134 63.149 35.994 24.745 1.00 20.10 O ATOM 1201 CB ASP A 134 66.113 36.333 23.377 1.00 20.41 C ATOM 1202 CG ASP A 134 67.352 35.558 22.979 1.00 23.33 C ATOM 1203 OD1 ASP A 134 67.564 34.473 23.533 1.00 24.93 O ATOM 1204 OD2 ASP A 134 68.062 35.988 22.065 1.00 22.99 O ATOM 1205 H ASP A 134 65.347 35.670 21.039 1.00 0.00 H ATOM 1206 N TRP A 135 63.101 37.156 22.814 1.00 17.99 N ATOM 1207 CA TRP A 135 61.897 37.919 23.172 1.00 17.46 C ATOM 1208 C TRP A 135 60.993 38.047 21.959 1.00 16.64 C ATOM 1209 O TRP A 135 61.468 38.186 20.835 1.00 15.18 O ATOM 1210 CB TRP A 135 62.265 39.326 23.597 1.00 17.93 C ATOM 1211 CG TRP A 135 62.886 39.493 24.908 1.00 18.70 C ATOM 1212 CD1 TRP A 135 64.214 39.683 25.170 1.00 23.48 C ATOM 1213 CD2 TRP A 135 62.214 39.562 26.161 1.00 21.04 C ATOM 1214 NE1 TRP A 135 64.402 39.856 26.520 1.00 23.45 N ATOM 1215 CE2 TRP A 135 63.187 39.792 27.146 1.00 24.08 C ATOM 1216 CE3 TRP A 135 60.876 39.450 26.549 1.00 22.81 C ATOM 1217 CZ2 TRP A 135 62.865 39.901 28.504 1.00 25.70 C ATOM 1218 CZ3 TRP A 135 60.563 39.563 27.897 1.00 24.28 C ATOM 1219 CH2 TRP A 135 61.554 39.790 28.851 1.00 23.64 C ATOM 1220 HE1 TRP A 135 65.317 40.010 26.989 1.00 0.00 H ATOM 1221 H TRP A 135 63.547 37.316 21.888 1.00 0.00 H ATOM 1222 N GLN A 136 59.690 38.011 22.196 1.00 16.50 N ATOM 1223 CA GLN A 136 58.693 38.285 21.182 1.00 16.39 C ATOM 1224 C GLN A 136 57.848 39.458 21.692 1.00 16.83 C ATOM 1225 O GLN A 136 57.267 39.361 22.762 1.00 17.37 O ATOM 1226 CB GLN A 136 57.853 37.050 20.922 1.00 16.49 C ATOM 1227 CG GLN A 136 58.639 35.982 20.158 1.00 16.41 C ATOM 1228 CD GLN A 136 57.966 34.661 20.103 1.00 15.82 C ATOM 1229 OE1 GLN A 136 57.275 34.353 19.123 1.00 14.49 O ATOM 1230 NE2 GLN A 136 58.161 33.839 21.161 1.00 14.89 N ATOM 1231 HE22 GLN A 136 58.752 34.149 21.959 1.00 0.00 H ATOM 1232 HE21 GLN A 136 57.720 32.897 21.176 1.00 0.00 H ATOM 1233 H GLN A 136 59.368 37.775 23.156 1.00 0.00 H ATOM 1234 N VAL A 137 57.839 40.566 20.957 1.00 15.70 N ATOM 1235 CA VAL A 137 57.144 41.753 21.344 1.00 16.15 C ATOM 1236 C VAL A 137 55.924 41.952 20.479 1.00 15.93 C ATOM 1237 O VAL A 137 56.015 42.236 19.287 1.00 14.67 O ATOM 1238 CB VAL A 137 58.063 43.008 21.255 1.00 16.47 C ATOM 1239 CG1 VAL A 137 57.337 44.264 21.727 1.00 17.40 C ATOM 1240 CG2 VAL A 137 59.361 42.759 22.036 1.00 16.57 C ATOM 1241 H VAL A 137 58.362 40.569 20.058 1.00 0.00 H ATOM 1242 N LEU A 138 54.763 41.813 21.116 1.00 15.75 N ATOM 1243 CA LEU A 138 53.489 42.066 20.477 1.00 15.27 C ATOM 1244 C LEU A 138 53.105 43.531 20.565 1.00 15.78 C ATOM 1245 O LEU A 138 52.891 44.065 21.672 1.00 15.52 O ATOM 1246 CB LEU A 138 52.408 41.248 21.151 1.00 15.00 C ATOM 1247 CG LEU A 138 50.971 41.526 20.725 1.00 16.31 C ATOM 1248 CD1 LEU A 138 50.828 41.192 19.267 1.00 14.91 C ATOM 1249 CD2 LEU A 138 49.962 40.714 21.593 1.00 14.24 C ATOM 1250 H LEU A 138 54.772 41.511 22.111 1.00 0.00 H ATOM 1251 N LEU A 139 52.979 44.169 19.409 1.00 15.86 N ATOM 1252 CA LEU A 139 52.427 45.517 19.326 1.00 16.97 C ATOM 1253 C LEU A 139 50.930 45.363 19.168 1.00 17.67 C ATOM 1254 O LEU A 139 50.466 44.867 18.138 1.00 17.13 O ATOM 1255 CB LEU A 139 53.010 46.274 18.121 1.00 16.71 C ATOM 1256 CG LEU A 139 52.424 47.640 17.774 1.00 18.22 C ATOM 1257 CD1 LEU A 139 52.545 48.596 18.987 1.00 17.68 C ATOM 1258 CD2 LEU A 139 53.149 48.250 16.572 1.00 18.37 C ATOM 1259 H LEU A 139 53.283 43.694 18.535 1.00 0.00 H ATOM 1260 N ALA A 140 50.183 45.733 20.207 1.00 18.65 N ATOM 1261 CA ALA A 140 48.725 45.570 20.227 1.00 20.78 C ATOM 1262 C ALA A 140 48.066 46.943 20.217 1.00 22.33 C ATOM 1263 O ALA A 140 48.206 47.715 21.166 1.00 21.99 O ATOM 1264 CB ALA A 140 48.277 44.754 21.497 1.00 19.84 C ATOM 1265 H ALA A 140 50.651 46.153 21.035 1.00 0.00 H ATOM 1266 N VAL A 141 47.388 47.254 19.122 1.00 25.33 N ATOM 1267 CA VAL A 141 46.712 48.530 18.969 1.00 27.15 C ATOM 1268 C VAL A 141 45.199 48.352 18.751 1.00 29.65 C ATOM 1269 O VAL A 141 44.727 47.273 18.345 1.00 29.47 O ATOM 1270 CB VAL A 141 47.365 49.348 17.823 1.00 27.49 C ATOM 1271 CG1 VAL A 141 48.881 49.515 18.087 1.00 24.89 C ATOM 1272 CG2 VAL A 141 47.106 48.722 16.446 1.00 27.57 C ATOM 1273 H VAL A 141 47.338 46.562 18.347 1.00 0.00 H ATOM 1274 N SER A 142 44.442 49.414 19.027 1.00 32.47 N ATOM 1275 CA SER A 142 42.969 49.379 18.883 1.00 34.78 C ATOM 1276 C SER A 142 42.558 49.000 17.469 1.00 36.65 C ATOM 1277 O SER A 142 41.711 48.123 17.268 1.00 37.27 O ATOM 1278 CB SER A 142 42.324 50.720 19.290 1.00 35.68 C ATOM 1279 OG SER A 142 42.684 51.803 18.440 1.00 36.06 O ATOM 1280 HG SER A 142 42.239 52.630 18.754 1.00 0.00 H ATOM 1281 H SER A 142 44.898 50.290 19.352 1.00 0.00 H ATOM 1282 N ALA A 143 43.183 49.641 16.487 1.00 38.78 N ATOM 1283 CA ALA A 143 42.938 49.313 15.088 1.00 40.23 C ATOM 1284 C ALA A 143 44.138 49.715 14.245 1.00 40.95 C ATOM 1285 O ALA A 143 44.861 50.645 14.582 1.00 41.50 O ATOM 1286 CB ALA A 143 41.668 50.037 14.569 1.00 41.04 C ATOM 1287 H ALA A 143 43.862 50.393 16.722 1.00 0.00 H ATOM 1288 N GLU A 144 44.318 48.993 13.147 1.00 41.87 N ATOM 1289 CA GLU A 144 45.284 49.327 12.127 1.00 42.47 C ATOM 1290 C GLU A 144 44.743 50.494 11.344 1.00 43.76 C ATOM 1291 O GLU A 144 43.755 50.332 10.627 1.00 45.11 O ATOM 1292 CB GLU A 144 45.442 48.142 11.182 1.00 42.58 C ATOM 1293 H GLU A 144 43.734 48.143 13.014 1.00 0.00 H TER 1294 GLU A 144 ATOM 1295 N ASP A 168 40.232 41.857 5.930 1.00 53.57 N ATOM 1296 CA ASP A 168 39.123 41.260 6.678 1.00 53.62 C ATOM 1297 C ASP A 168 39.230 41.572 8.180 1.00 52.62 C ATOM 1298 O ASP A 168 40.115 41.055 8.867 1.00 52.23 O ATOM 1299 CB ASP A 168 39.090 39.745 6.438 1.00 53.80 C ATOM 1300 CG ASP A 168 37.946 39.055 7.170 1.00 55.48 C ATOM 1301 OD1 ASP A 168 36.991 39.737 7.619 1.00 58.67 O ATOM 1302 OD2 ASP A 168 38.003 37.816 7.295 1.00 56.88 O ATOM 1303 HN3 ASP A 168 41.132 41.476 6.284 1.00 0.00 H ATOM 1304 HN2 ASP A 168 40.218 42.889 6.056 1.00 0.00 H ATOM 1305 HN1 ASP A 168 40.131 41.628 4.921 1.00 0.00 H ATOM 1306 N ALA A 169 38.309 42.401 8.669 1.00 52.00 N ATOM 1307 CA ALA A 169 38.371 42.993 10.015 1.00 50.84 C ATOM 1308 C ALA A 169 38.146 41.995 11.156 1.00 49.54 C ATOM 1309 O ALA A 169 38.836 42.056 12.184 1.00 48.89 O ATOM 1310 CB ALA A 169 37.350 44.129 10.127 1.00 51.15 C ATOM 1311 H ALA A 169 37.499 42.644 8.064 1.00 0.00 H ATOM 1312 N GLU A 170 37.152 41.117 10.988 1.00 48.14 N ATOM 1313 CA GLU A 170 36.830 40.086 11.988 1.00 46.69 C ATOM 1314 C GLU A 170 38.039 39.176 12.230 1.00 43.81 C ATOM 1315 O GLU A 170 38.407 38.917 13.378 1.00 43.44 O ATOM 1316 CB GLU A 170 35.613 39.250 11.545 1.00 47.30 C ATOM 1317 H GLU A 170 36.585 41.164 10.118 1.00 0.00 H ATOM 1318 N LEU A 171 38.641 38.720 11.138 1.00 41.29 N ATOM 1319 CA LEU A 171 39.859 37.922 11.163 1.00 39.13 C ATOM 1320 C LEU A 171 41.066 38.671 11.739 1.00 36.60 C ATOM 1321 O LEU A 171 41.828 38.100 12.537 1.00 35.18 O ATOM 1322 CB LEU A 171 40.204 37.429 9.748 1.00 39.59 C ATOM 1323 CG LEU A 171 41.594 36.789 9.569 1.00 41.18 C ATOM 1324 CD1 LEU A 171 41.632 35.412 10.238 1.00 43.19 C ATOM 1325 CD2 LEU A 171 42.006 36.686 8.094 1.00 43.53 C ATOM 1326 H LEU A 171 38.220 38.945 10.214 1.00 0.00 H ATOM 1327 N GLN A 172 41.258 39.926 11.321 1.00 33.85 N ATOM 1328 CA GLN A 172 42.373 40.706 11.833 1.00 31.85 C ATOM 1329 C GLN A 172 42.219 40.887 13.363 1.00 29.56 C ATOM 1330 O GLN A 172 43.197 40.762 14.095 1.00 26.51 O ATOM 1331 CB GLN A 172 42.530 42.065 11.114 1.00 32.82 C ATOM 1332 CG GLN A 172 43.158 42.019 9.680 1.00 34.66 C ATOM 1333 CD GLN A 172 44.564 41.411 9.604 1.00 38.12 C ATOM 1334 OE1 GLN A 172 45.494 41.837 10.288 1.00 43.47 O ATOM 1335 NE2 GLN A 172 44.724 40.428 8.737 1.00 37.91 N ATOM 1336 HE22 GLN A 172 43.915 40.093 8.175 1.00 0.00 H ATOM 1337 HE21 GLN A 172 45.659 39.989 8.616 1.00 0.00 H ATOM 1338 H GLN A 172 40.607 40.346 10.627 1.00 0.00 H ATOM 1339 N GLN A 173 40.994 41.164 13.827 1.00 28.58 N ATOM 1340 CA GLN A 173 40.729 41.304 15.268 1.00 27.45 C ATOM 1341 C GLN A 173 40.935 39.968 16.025 1.00 25.97 C ATOM 1342 O GLN A 173 41.531 39.948 17.098 1.00 25.98 O ATOM 1343 CB GLN A 173 39.319 41.877 15.522 1.00 28.92 C ATOM 1344 H GLN A 173 40.211 41.283 13.153 1.00 0.00 H ATOM 1345 N ARG A 174 40.446 38.863 15.465 1.00 25.31 N ATOM 1346 CA ARG A 174 40.667 37.545 16.076 1.00 24.73 C ATOM 1347 C ARG A 174 42.162 37.186 16.095 1.00 23.11 C ATOM 1348 O ARG A 174 42.664 36.639 17.075 1.00 22.79 O ATOM 1349 CB ARG A 174 39.859 36.444 15.377 1.00 24.92 C ATOM 1350 CG ARG A 174 39.862 35.119 16.152 1.00 25.82 C ATOM 1351 CD ARG A 174 39.072 33.994 15.464 1.00 26.99 C ATOM 1352 NE ARG A 174 39.008 32.803 16.315 1.00 28.07 N ATOM 1353 CZ ARG A 174 37.894 32.298 16.840 1.00 26.47 C ATOM 1354 NH1 ARG A 174 36.720 32.852 16.588 1.00 28.22 N ATOM 1355 NH2 ARG A 174 37.958 31.220 17.606 1.00 25.73 N ATOM 1356 HE ARG A 174 39.902 32.315 16.525 1.00 0.00 H ATOM 1357 HH12 ARG A 174 35.855 32.450 17.003 1.00 0.00 H ATOM 1358 HH11 ARG A 174 36.661 33.690 15.975 1.00 0.00 H ATOM 1359 HH22 ARG A 174 37.090 30.823 18.018 1.00 0.00 H ATOM 1360 HH21 ARG A 174 38.877 30.771 17.796 1.00 0.00 H ATOM 1361 H ARG A 174 39.900 38.934 14.583 1.00 0.00 H ATOM 1362 N THR A 175 42.884 37.509 15.027 1.00 22.23 N ATOM 1363 CA THR A 175 44.337 37.273 15.017 1.00 19.93 C ATOM 1364 C THR A 175 45.042 38.085 16.122 1.00 19.01 C ATOM 1365 O THR A 175 45.904 37.569 16.843 1.00 16.91 O ATOM 1366 CB THR A 175 44.951 37.600 13.658 1.00 20.14 C ATOM 1367 OG1 THR A 175 44.318 36.800 12.652 1.00 21.45 O ATOM 1368 CG2 THR A 175 46.472 37.348 13.667 1.00 15.20 C ATOM 1369 HG1 THR A 175 43.348 36.998 12.636 1.00 0.00 H ATOM 1370 H THR A 175 42.421 37.930 14.196 1.00 0.00 H ATOM 1371 N GLY A 176 44.658 39.346 16.263 1.00 19.01 N ATOM 1372 CA GLY A 176 45.155 40.179 17.373 1.00 18.89 C ATOM 1373 C GLY A 176 44.964 39.509 18.737 1.00 18.54 C ATOM 1374 O GLY A 176 45.863 39.512 19.568 1.00 18.84 O ATOM 1375 H GLY A 176 43.993 39.756 15.577 1.00 0.00 H ATOM 1376 N ALA A 177 43.798 38.896 18.942 1.00 19.33 N ATOM 1377 CA ALA A 177 43.488 38.228 20.204 1.00 19.22 C ATOM 1378 C ALA A 177 44.310 36.954 20.406 1.00 18.79 C ATOM 1379 O ALA A 177 44.799 36.682 21.507 1.00 19.34 O ATOM 1380 CB ALA A 177 41.979 37.937 20.284 1.00 20.13 C ATOM 1381 H ALA A 177 43.088 38.893 18.182 1.00 0.00 H ATOM 1382 N VAL A 178 44.480 36.167 19.346 1.00 18.18 N ATOM 1383 CA VAL A 178 45.290 34.939 19.448 1.00 17.65 C ATOM 1384 C VAL A 178 46.732 35.314 19.752 1.00 17.39 C ATOM 1385 O VAL A 178 47.398 34.680 20.574 1.00 18.13 O ATOM 1386 CB VAL A 178 45.202 34.088 18.155 1.00 17.77 C ATOM 1387 CG1 VAL A 178 46.152 32.894 18.208 1.00 16.65 C ATOM 1388 CG2 VAL A 178 43.764 33.642 17.906 1.00 16.88 C ATOM 1389 H VAL A 178 44.038 36.420 18.439 1.00 0.00 H ATOM 1390 N TYR A 179 47.210 36.372 19.112 1.00 16.59 N ATOM 1391 CA TYR A 179 48.524 36.904 19.420 1.00 16.53 C ATOM 1392 C TYR A 179 48.665 37.177 20.926 1.00 16.74 C ATOM 1393 O TYR A 179 49.650 36.776 21.537 1.00 16.80 O ATOM 1394 CB TYR A 179 48.741 38.180 18.653 1.00 16.63 C ATOM 1395 CG TYR A 179 49.572 38.129 17.404 1.00 15.21 C ATOM 1396 CD1 TYR A 179 50.833 37.517 17.392 1.00 16.13 C ATOM 1397 CD2 TYR A 179 49.176 38.854 16.288 1.00 15.77 C ATOM 1398 CE1 TYR A 179 51.643 37.580 16.280 1.00 16.48 C ATOM 1399 CE2 TYR A 179 49.972 38.933 15.189 1.00 15.77 C ATOM 1400 CZ TYR A 179 51.191 38.299 15.174 1.00 15.38 C ATOM 1401 OH TYR A 179 51.992 38.413 14.066 1.00 15.97 O ATOM 1402 HH TYR A 179 52.828 37.903 14.211 1.00 0.00 H ATOM 1403 H TYR A 179 46.633 36.828 18.377 1.00 0.00 H ATOM 1404 N ALA A 180 47.668 37.824 21.528 1.00 16.86 N ATOM 1405 CA ALA A 180 47.702 38.104 22.967 1.00 17.35 C ATOM 1406 C ALA A 180 47.696 36.805 23.773 1.00 17.91 C ATOM 1407 O ALA A 180 48.296 36.715 24.840 1.00 18.91 O ATOM 1408 CB ALA A 180 46.501 38.975 23.378 1.00 17.47 C ATOM 1409 H ALA A 180 46.850 38.136 20.967 1.00 0.00 H ATOM 1410 N GLU A 181 46.993 35.802 23.276 1.00 18.11 N ATOM 1411 CA GLU A 181 47.006 34.531 23.932 1.00 19.27 C ATOM 1412 C GLU A 181 48.418 33.891 23.850 1.00 18.70 C ATOM 1413 O GLU A 181 48.874 33.280 24.816 1.00 19.05 O ATOM 1414 CB GLU A 181 45.934 33.610 23.366 1.00 19.95 C ATOM 1415 CG GLU A 181 45.768 32.370 24.224 1.00 24.57 C ATOM 1416 CD GLU A 181 44.820 31.364 23.656 1.00 29.32 C ATOM 1417 OE1 GLU A 181 44.199 31.644 22.575 1.00 25.92 O ATOM 1418 OE2 GLU A 181 44.717 30.294 24.325 1.00 31.84 O ATOM 1419 H GLU A 181 46.432 35.937 22.411 1.00 0.00 H ATOM 1420 N LEU A 182 49.094 34.013 22.707 1.00 18.43 N ATOM 1421 CA LEU A 182 50.431 33.453 22.574 1.00 17.65 C ATOM 1422 C LEU A 182 51.345 34.138 23.600 1.00 17.96 C ATOM 1423 O LEU A 182 52.168 33.487 24.258 1.00 17.56 O ATOM 1424 CB LEU A 182 50.970 33.628 21.147 1.00 16.83 C ATOM 1425 CG LEU A 182 50.236 32.930 19.991 1.00 18.33 C ATOM 1426 CD1 LEU A 182 50.798 33.397 18.658 1.00 15.40 C ATOM 1427 CD2 LEU A 182 50.318 31.407 20.114 1.00 17.89 C ATOM 1428 H LEU A 182 48.662 34.513 21.904 1.00 0.00 H ATOM 1429 N ALA A 183 51.193 35.456 23.742 1.00 17.08 N ATOM 1430 CA ALA A 183 51.990 36.222 24.704 1.00 17.54 C ATOM 1431 C ALA A 183 51.720 35.764 26.147 1.00 18.40 C ATOM 1432 O ALA A 183 52.630 35.620 26.950 1.00 19.14 O ATOM 1433 CB ALA A 183 51.711 37.727 24.544 1.00 16.31 C ATOM 1434 H ALA A 183 50.492 35.952 23.156 1.00 0.00 H ATOM 1435 N ALA A 184 50.457 35.532 26.459 1.00 19.41 N ATOM 1436 CA ALA A 184 50.032 35.102 27.789 1.00 20.74 C ATOM 1437 C ALA A 184 50.543 33.711 28.140 1.00 22.32 C ATOM 1438 O ALA A 184 50.823 33.430 29.315 1.00 23.78 O ATOM 1439 CB ALA A 184 48.498 35.104 27.880 1.00 20.54 C ATOM 1440 H ALA A 184 49.732 35.661 25.724 1.00 0.00 H ATOM 1441 N GLN A 185 50.647 32.847 27.136 1.00 22.80 N ATOM 1442 CA GLN A 185 51.107 31.476 27.348 1.00 24.70 C ATOM 1443 C GLN A 185 52.633 31.325 27.273 1.00 23.80 C ATOM 1444 O GLN A 185 53.137 30.236 27.488 1.00 25.60 O ATOM 1445 CB GLN A 185 50.517 30.529 26.289 1.00 24.99 C ATOM 1446 CG GLN A 185 49.001 30.532 26.152 1.00 30.38 C ATOM 1447 CD GLN A 185 48.281 29.626 27.108 1.00 35.93 C ATOM 1448 OE1 GLN A 185 48.751 29.361 28.227 1.00 40.78 O ATOM 1449 NE2 GLN A 185 47.108 29.158 26.691 1.00 38.92 N ATOM 1450 HE22 GLN A 185 46.755 29.407 25.745 1.00 0.00 H ATOM 1451 HE21 GLN A 185 46.544 28.543 27.311 1.00 0.00 H ATOM 1452 H GLN A 185 50.395 33.154 26.175 1.00 0.00 H ATOM 1453 N GLY A 186 53.344 32.369 26.864 1.00 22.83 N ATOM 1454 CA GLY A 186 54.775 32.283 26.572 1.00 22.41 C ATOM 1455 C GLY A 186 55.139 31.348 25.413 1.00 22.03 C ATOM 1456 O GLY A 186 56.118 30.586 25.487 1.00 22.06 O ATOM 1457 H GLY A 186 52.865 33.284 26.747 1.00 0.00 H ATOM 1458 N TRP A 187 54.339 31.398 24.352 1.00 21.37 N ATOM 1459 CA TRP A 187 54.507 30.528 23.207 1.00 21.27 C ATOM 1460 C TRP A 187 55.866 30.810 22.549 1.00 20.30 C ATOM 1461 O TRP A 187 56.166 31.947 22.161 1.00 21.10 O ATOM 1462 CB TRP A 187 53.365 30.747 22.223 1.00 21.12 C ATOM 1463 CG TRP A 187 53.382 29.821 21.029 1.00 20.56 C ATOM 1464 CD1 TRP A 187 52.726 28.633 20.893 1.00 20.44 C ATOM 1465 CD2 TRP A 187 54.088 30.035 19.790 1.00 17.76 C ATOM 1466 NE1 TRP A 187 52.978 28.098 19.642 1.00 21.43 N ATOM 1467 CE2 TRP A 187 53.805 28.936 18.951 1.00 18.76 C ATOM 1468 CE3 TRP A 187 54.928 31.036 19.325 1.00 17.69 C ATOM 1469 CZ2 TRP A 187 54.336 28.818 17.667 1.00 19.45 C ATOM 1470 CZ3 TRP A 187 55.450 30.922 18.041 1.00 18.56 C ATOM 1471 CH2 TRP A 187 55.152 29.822 17.233 1.00 17.11 C ATOM 1472 HE1 TRP A 187 52.597 27.199 19.284 1.00 0.00 H ATOM 1473 H TRP A 187 53.562 32.089 24.344 1.00 0.00 H ATOM 1474 N GLY A 188 56.704 29.780 22.496 1.00 20.53 N ATOM 1475 CA GLY A 188 58.039 29.875 21.908 1.00 20.29 C ATOM 1476 C GLY A 188 59.074 30.602 22.738 1.00 20.74 C ATOM 1477 O GLY A 188 60.225 30.741 22.313 1.00 21.61 O ATOM 1478 H GLY A 188 56.397 28.868 22.890 1.00 0.00 H ATOM 1479 N GLY A 189 58.682 31.107 23.904 1.00 20.99 N ATOM 1480 CA GLY A 189 59.579 31.899 24.744 1.00 21.21 C ATOM 1481 C GLY A 189 58.874 33.093 25.370 1.00 20.97 C ATOM 1482 O GLY A 189 57.648 33.191 25.338 1.00 19.68 O ATOM 1483 H GLY A 189 57.709 30.934 24.228 1.00 0.00 H ATOM 1484 N ARG A 190 59.663 33.982 25.963 1.00 21.06 N ATOM 1485 CA ARG A 190 59.127 35.134 26.668 1.00 21.32 C ATOM 1486 C ARG A 190 58.609 36.190 25.720 1.00 19.02 C ATOM 1487 O ARG A 190 59.206 36.446 24.659 1.00 16.80 O ATOM 1488 CB ARG A 190 60.221 35.807 27.491 1.00 22.47 C ATOM 1489 CG ARG A 190 60.819 34.927 28.557 1.00 28.44 C ATOM 1490 CD ARG A 190 62.295 34.957 28.418 1.00 35.11 C ATOM 1491 NE ARG A 190 62.926 36.097 29.076 1.00 39.94 N ATOM 1492 CZ ARG A 190 64.055 36.677 28.669 1.00 41.55 C ATOM 1493 NH1 ARG A 190 64.672 36.302 27.534 1.00 41.69 N ATOM 1494 NH2 ARG A 190 64.555 37.668 29.393 1.00 41.93 N ATOM 1495 HE ARG A 190 62.462 36.484 29.922 1.00 0.00 H ATOM 1496 HH12 ARG A 190 65.552 36.772 27.241 1.00 0.00 H ATOM 1497 HH11 ARG A 190 64.269 35.542 26.950 1.00 0.00 H ATOM 1498 HH22 ARG A 190 65.435 38.136 29.096 1.00 0.00 H ATOM 1499 HH21 ARG A 190 64.068 37.977 30.258 1.00 0.00 H ATOM 1500 H ARG A 190 60.694 33.850 25.922 1.00 0.00 H ATOM 1501 N TRP A 191 57.546 36.859 26.149 1.00 18.23 N ATOM 1502 CA TRP A 191 56.961 37.926 25.371 1.00 18.11 C ATOM 1503 C TRP A 191 56.836 39.164 26.210 1.00 18.33 C ATOM 1504 O TRP A 191 56.897 39.104 27.442 1.00 19.05 O ATOM 1505 CB TRP A 191 55.538 37.581 24.890 1.00 17.72 C ATOM 1506 CG TRP A 191 55.381 36.544 23.845 1.00 16.62 C ATOM 1507 CD1 TRP A 191 55.642 35.221 23.968 1.00 16.03 C ATOM 1508 CD2 TRP A 191 54.805 36.721 22.545 1.00 15.97 C ATOM 1509 NE1 TRP A 191 55.322 34.563 22.805 1.00 17.33 N ATOM 1510 CE2 TRP A 191 54.794 35.465 21.919 1.00 16.29 C ATOM 1511 CE3 TRP A 191 54.361 37.831 21.832 1.00 16.83 C ATOM 1512 CZ2 TRP A 191 54.345 35.275 20.613 1.00 15.28 C ATOM 1513 CZ3 TRP A 191 53.904 37.647 20.531 1.00 16.24 C ATOM 1514 CH2 TRP A 191 53.913 36.379 19.933 1.00 16.41 C ATOM 1515 HE1 TRP A 191 55.458 33.548 22.627 1.00 0.00 H ATOM 1516 H TRP A 191 57.125 36.609 27.066 1.00 0.00 H ATOM 1517 N LEU A 192 56.624 40.279 25.523 1.00 18.66 N ATOM 1518 CA LEU A 192 56.077 41.504 26.127 1.00 19.45 C ATOM 1519 C LEU A 192 54.956 41.998 25.233 1.00 19.62 C ATOM 1520 O LEU A 192 55.029 41.820 24.026 1.00 20.55 O ATOM 1521 CB LEU A 192 57.152 42.579 26.173 1.00 20.47 C ATOM 1522 CG LEU A 192 58.353 42.386 27.068 1.00 21.11 C ATOM 1523 CD1 LEU A 192 59.332 43.523 26.775 1.00 23.83 C ATOM 1524 CD2 LEU A 192 57.952 42.380 28.545 1.00 23.01 C ATOM 1525 H LEU A 192 56.856 40.288 24.509 1.00 0.00 H ATOM 1526 N VAL A 193 53.904 42.580 25.801 1.00 18.65 N ATOM 1527 CA VAL A 193 52.864 43.207 25.018 1.00 18.29 C ATOM 1528 C VAL A 193 53.002 44.696 25.212 1.00 18.57 C ATOM 1529 O VAL A 193 53.038 45.161 26.362 1.00 19.05 O ATOM 1530 CB VAL A 193 51.480 42.790 25.497 1.00 18.74 C ATOM 1531 CG1 VAL A 193 50.413 43.484 24.694 1.00 19.64 C ATOM 1532 CG2 VAL A 193 51.317 41.232 25.432 1.00 17.91 C ATOM 1533 H VAL A 193 53.828 42.584 26.838 1.00 0.00 H ATOM 1534 N VAL A 194 53.063 45.442 24.116 1.00 18.17 N ATOM 1535 CA VAL A 194 53.236 46.897 24.181 1.00 19.08 C ATOM 1536 C VAL A 194 52.190 47.588 23.339 1.00 19.82 C ATOM 1537 O VAL A 194 51.581 46.976 22.470 1.00 19.33 O ATOM 1538 CB VAL A 194 54.677 47.330 23.711 1.00 18.71 C ATOM 1539 CG1 VAL A 194 55.742 46.602 24.528 1.00 18.44 C ATOM 1540 CG2 VAL A 194 54.879 47.084 22.209 1.00 16.68 C ATOM 1541 H VAL A 194 52.986 44.983 23.186 1.00 0.00 H ATOM 1542 N GLY A 195 51.976 48.862 23.618 1.00 20.77 N ATOM 1543 CA GLY A 195 51.048 49.691 22.868 1.00 21.93 C ATOM 1544 C GLY A 195 51.732 50.686 21.943 1.00 22.74 C ATOM 1545 O GLY A 195 52.963 50.788 21.915 1.00 23.18 O ATOM 1546 H GLY A 195 52.496 49.291 24.410 1.00 0.00 H ATOM 1547 N ALA A 196 50.915 51.429 21.206 1.00 24.41 N ATOM 1548 CA ALA A 196 51.381 52.395 20.196 1.00 26.11 C ATOM 1549 C ALA A 196 52.397 53.415 20.709 1.00 26.83 C ATOM 1550 O ALA A 196 53.292 53.795 19.972 1.00 28.03 O ATOM 1551 CB ALA A 196 50.172 53.132 19.581 1.00 26.21 C ATOM 1552 H ALA A 196 49.890 51.323 21.349 1.00 0.00 H ATOM 1553 N ASP A 197 52.266 53.844 21.960 1.00 26.92 N ATOM 1554 CA ASP A 197 53.088 54.922 22.496 1.00 28.05 C ATOM 1555 C ASP A 197 54.110 54.417 23.503 1.00 27.03 C ATOM 1556 O ASP A 197 54.536 55.151 24.391 1.00 27.24 O ATOM 1557 CB ASP A 197 52.187 55.991 23.137 1.00 29.56 C ATOM 1558 CG ASP A 197 51.510 56.869 22.117 1.00 31.70 C ATOM 1559 OD1 ASP A 197 51.836 56.763 20.918 1.00 35.73 O ATOM 1560 OD2 ASP A 197 50.642 57.681 22.505 1.00 35.48 O ATOM 1561 H ASP A 197 51.556 53.397 22.575 1.00 0.00 H ATOM 1562 N VAL A 198 54.532 53.162 23.360 1.00 25.87 N ATOM 1563 CA VAL A 198 55.496 52.606 24.295 1.00 24.63 C ATOM 1564 C VAL A 198 56.808 53.376 24.183 1.00 24.68 C ATOM 1565 O VAL A 198 57.214 53.781 23.100 1.00 24.19 O ATOM 1566 CB VAL A 198 55.761 51.115 24.055 1.00 24.07 C ATOM 1567 CG1 VAL A 198 56.374 50.865 22.640 1.00 23.49 C ATOM 1568 CG2 VAL A 198 56.666 50.574 25.153 1.00 22.99 C ATOM 1569 H VAL A 198 54.171 52.579 22.578 1.00 0.00 H ATOM 1570 N ASP A 199 57.470 53.585 25.309 1.00 24.86 N ATOM 1571 CA ASP A 199 58.742 54.312 25.302 1.00 25.63 C ATOM 1572 C ASP A 199 59.836 53.350 24.860 1.00 24.45 C ATOM 1573 O ASP A 199 60.099 52.367 25.539 1.00 23.60 O ATOM 1574 CB ASP A 199 59.006 54.854 26.713 1.00 26.80 C ATOM 1575 CG ASP A 199 60.338 55.549 26.853 1.00 27.67 C ATOM 1576 OD1 ASP A 199 61.337 55.199 26.196 1.00 29.74 O ATOM 1577 OD2 ASP A 199 60.394 56.451 27.683 1.00 34.84 O ATOM 1578 H ASP A 199 57.084 53.230 26.207 1.00 0.00 H ATOM 1579 N PRO A 200 60.489 53.625 23.719 1.00 24.85 N ATOM 1580 CA PRO A 200 61.468 52.662 23.210 1.00 24.35 C ATOM 1581 C PRO A 200 62.741 52.565 24.050 1.00 23.68 C ATOM 1582 O PRO A 200 63.394 51.513 24.074 1.00 23.42 O ATOM 1583 CB PRO A 200 61.773 53.191 21.812 1.00 24.78 C ATOM 1584 CG PRO A 200 61.481 54.619 21.875 1.00 25.76 C ATOM 1585 CD PRO A 200 60.305 54.743 22.781 1.00 25.89 C ATOM 1586 N GLY A 201 63.095 53.658 24.717 1.00 23.89 N ATOM 1587 CA GLY A 201 64.229 53.655 25.627 1.00 23.68 C ATOM 1588 C GLY A 201 63.964 52.692 26.769 1.00 23.32 C ATOM 1589 O GLY A 201 64.846 51.915 27.143 1.00 22.71 O ATOM 1590 H GLY A 201 62.550 54.534 24.586 1.00 0.00 H ATOM 1591 N ARG A 202 62.735 52.731 27.318 1.00 23.23 N ATOM 1592 CA ARG A 202 62.399 51.857 28.441 1.00 22.95 C ATOM 1593 C ARG A 202 62.307 50.429 27.966 1.00 22.27 C ATOM 1594 O ARG A 202 62.807 49.520 28.622 1.00 20.30 O ATOM 1595 CB ARG A 202 61.096 52.270 29.150 1.00 24.06 C ATOM 1596 CG ARG A 202 60.776 51.389 30.387 1.00 25.22 C ATOM 1597 CD ARG A 202 59.400 51.746 31.002 1.00 30.45 C ATOM 1598 H ARG A 202 62.021 53.386 26.941 1.00 0.00 H ATOM 1599 N LEU A 203 61.701 50.231 26.795 1.00 21.88 N ATOM 1600 CA LEU A 203 61.518 48.902 26.271 1.00 21.51 C ATOM 1601 C LEU A 203 62.880 48.252 25.998 1.00 21.74 C ATOM 1602 O LEU A 203 63.080 47.096 26.343 1.00 21.07 O ATOM 1603 CB LEU A 203 60.624 48.945 25.027 1.00 21.58 C ATOM 1604 CG LEU A 203 60.265 47.629 24.325 1.00 22.65 C ATOM 1605 CD1 LEU A 203 59.637 46.636 25.295 1.00 24.16 C ATOM 1606 CD2 LEU A 203 59.329 47.933 23.109 1.00 23.53 C ATOM 1607 H LEU A 203 61.355 51.048 26.252 1.00 0.00 H ATOM 1608 N ALA A 204 63.827 48.996 25.422 1.00 22.60 N ATOM 1609 CA ALA A 204 65.181 48.456 25.146 1.00 23.27 C ATOM 1610 C ALA A 204 65.912 47.990 26.416 1.00 24.20 C ATOM 1611 O ALA A 204 66.571 46.952 26.404 1.00 24.02 O ATOM 1612 CB ALA A 204 66.044 49.496 24.391 1.00 23.60 C ATOM 1613 H ALA A 204 63.610 49.979 25.160 1.00 0.00 H ATOM 1614 N ALA A 205 65.791 48.757 27.498 1.00 25.47 N ATOM 1615 CA ALA A 205 66.414 48.410 28.789 1.00 27.09 C ATOM 1616 C ALA A 205 65.767 47.142 29.364 1.00 27.95 C ATOM 1617 O ALA A 205 66.447 46.316 29.962 1.00 27.98 O ATOM 1618 CB ALA A 205 66.304 49.575 29.789 1.00 26.69 C ATOM 1619 H ALA A 205 65.236 49.634 27.430 1.00 0.00 H ATOM 1620 N THR A 206 64.464 46.982 29.149 1.00 28.96 N ATOM 1621 CA THR A 206 63.776 45.757 29.555 1.00 30.08 C ATOM 1622 C THR A 206 64.262 44.556 28.746 1.00 30.91 C ATOM 1623 O THR A 206 64.503 43.497 29.310 1.00 31.62 O ATOM 1624 CB THR A 206 62.250 45.879 29.390 1.00 29.81 C ATOM 1625 OG1 THR A 206 61.772 46.945 30.207 1.00 28.66 O ATOM 1626 CG2 THR A 206 61.561 44.577 29.777 1.00 30.27 C ATOM 1627 HG1 THR A 206 62.205 47.791 29.930 1.00 0.00 H ATOM 1628 H THR A 206 63.926 47.741 28.684 1.00 0.00 H ATOM 1629 N LEU A 207 64.421 44.726 27.435 1.00 32.28 N ATOM 1630 CA LEU A 207 64.805 43.610 26.565 1.00 33.69 C ATOM 1631 C LEU A 207 66.293 43.226 26.688 1.00 36.61 C ATOM 1632 O LEU A 207 66.623 42.047 26.543 1.00 37.93 O ATOM 1633 CB LEU A 207 64.439 43.910 25.111 1.00 32.56 C ATOM 1634 CG LEU A 207 62.943 44.083 24.800 1.00 31.30 C ATOM 1635 CD1 LEU A 207 62.767 44.738 23.455 1.00 28.60 C ATOM 1636 CD2 LEU A 207 62.203 42.758 24.827 1.00 29.48 C ATOM 1637 H LEU A 207 64.270 45.668 27.020 1.00 0.00 H ATOM 1638 N ALA A 208 67.159 44.204 26.962 1.00 39.00 N ATOM 1639 CA ALA A 208 68.611 44.015 27.088 1.00 41.78 C ATOM 1640 C ALA A 208 68.995 43.182 28.303 1.00 44.05 C ATOM 1641 O ALA A 208 68.523 43.455 29.403 1.00 44.98 O ATOM 1642 CB ALA A 208 69.330 45.393 27.181 1.00 41.92 C ATOM 1643 H ALA A 208 66.781 45.164 27.095 1.00 0.00 H ATOM 1644 N PRO A 209 69.907 42.203 28.123 1.00 46.72 N ATOM 1645 CA PRO A 209 70.273 41.298 29.227 1.00 48.28 C ATOM 1646 C PRO A 209 71.116 41.974 30.305 1.00 49.46 C ATOM 1647 O PRO A 209 72.307 42.214 30.092 1.00 51.21 O ATOM 1648 CB PRO A 209 71.082 40.182 28.524 1.00 48.70 C ATOM 1649 CG PRO A 209 71.636 40.817 27.278 1.00 48.45 C ATOM 1650 CD PRO A 209 70.848 42.088 26.987 1.00 46.89 C TER 1651 PRO A 209 HETATM 1652 MG MG A 1 38.694 24.785 13.851 1.00 37.67 MG HETATM 1653 O HOH 2 71.490 35.841 19.508 1.00 32.93 O HETATM 1654 O HOH 3 74.300 38.700 19.325 1.00 33.47 O HETATM 1655 O HOH 4 57.809 35.124 16.499 1.00 12.94 O HETATM 1656 O HOH 5 48.585 43.249 17.020 1.00 15.27 O HETATM 1657 O HOH 6 65.068 56.354 22.128 1.00 35.15 O HETATM 1658 O HOH 7 49.566 44.972 3.683 1.00 54.06 O HETATM 1659 O HOH 8 66.801 55.699 24.011 1.00 21.46 O HETATM 1660 O HOH 9 50.401 48.557 5.264 1.00 57.05 O HETATM 1661 O HOH 10 52.479 46.879 10.285 1.00 35.48 O HETATM 1662 O HOH 11 70.602 55.536 15.637 1.00 31.75 O HETATM 1663 O HOH 12 73.218 52.223 11.407 1.00 47.70 O HETATM 1664 O HOH 13 74.896 54.097 9.401 1.00 39.74 O HETATM 1665 O HOH 14 51.326 51.868 16.292 1.00 30.18 O HETATM 1666 O HOH 15 79.762 47.505 25.571 1.00 49.08 O HETATM 1667 O HOH 16 54.702 50.717 10.982 1.00 24.39 O HETATM 1668 O HOH 17 54.660 51.615 16.483 1.00 28.35 O HETATM 1669 O HOH 18 54.435 47.958 10.031 1.00 37.89 O HETATM 1670 O HOH 19 53.771 43.104 8.291 1.00 35.67 O HETATM 1671 O HOH 20 72.131 44.131 8.226 1.00 49.04 O HETATM 1672 O HOH 21 68.590 42.069 4.650 1.00 42.35 O HETATM 1673 O HOH 22 63.986 28.393 -2.175 1.00 49.78 O HETATM 1674 O HOH 23 65.974 53.606 13.872 1.00 37.49 O HETATM 1675 O HOH 24 53.456 41.484 -1.909 1.00 46.25 O HETATM 1676 O HOH 25 64.224 55.473 19.582 1.00 24.79 O HETATM 1677 O HOH 26 55.109 51.467 19.317 1.00 36.90 O HETATM 1678 O HOH 27 66.451 49.807 11.764 1.00 33.59 O HETATM 1679 O HOH 28 70.504 55.983 18.277 1.00 16.87 O HETATM 1680 O HOH 29 67.331 57.559 20.338 1.00 36.82 O HETATM 1681 O HOH 30 68.317 53.612 24.851 1.00 17.03 O HETATM 1682 O HOH 31 73.944 49.061 14.713 1.00 19.93 O HETATM 1683 O HOH 32 69.054 48.950 10.774 1.00 31.12 O HETATM 1684 O HOH 33 68.895 53.849 14.379 1.00 31.94 O HETATM 1685 O HOH 34 71.858 50.134 9.526 1.00 41.27 O HETATM 1686 O HOH 35 41.869 21.970 10.290 1.00 31.60 O HETATM 1687 O HOH 36 70.320 55.210 25.846 1.00 26.30 O HETATM 1688 O HOH 37 76.572 48.626 25.177 1.00 32.28 O HETATM 1689 O HOH 38 79.271 50.857 23.213 1.00 43.57 O HETATM 1690 O HOH 39 75.409 51.035 17.416 1.00 31.68 O HETATM 1691 O HOH 40 72.546 42.621 23.986 1.00 45.51 O HETATM 1692 O HOH 41 78.601 44.206 16.687 1.00 38.90 O HETATM 1693 O HOH 42 72.688 46.931 10.678 1.00 30.07 O HETATM 1694 O HOH 43 70.893 31.801 16.618 1.00 40.17 O HETATM 1695 O HOH 44 69.860 45.910 9.380 1.00 25.60 O HETATM 1696 O HOH 45 69.972 42.561 7.739 1.00 35.98 O HETATM 1697 O HOH 46 67.589 45.516 7.783 1.00 31.50 O HETATM 1698 O HOH 47 63.054 44.932 9.572 1.00 37.41 O HETATM 1699 O HOH 48 64.770 48.404 9.880 1.00 44.70 O HETATM 1700 O HOH 49 64.423 42.496 5.424 1.00 37.79 O HETATM 1701 O HOH 50 57.596 41.836 4.321 1.00 28.69 O HETATM 1702 O HOH 51 57.236 42.424 8.272 1.00 22.21 O HETATM 1703 O HOH 52 60.350 46.444 6.123 1.00 34.31 O HETATM 1704 O HOH 53 68.459 35.099 3.852 1.00 24.93 O HETATM 1705 O HOH 54 67.394 37.591 3.476 1.00 31.32 O HETATM 1706 O HOH 55 65.492 31.434 0.554 1.00 37.84 O HETATM 1707 O HOH 56 65.639 38.394 -5.806 1.00 49.07 O HETATM 1708 O HOH 57 63.786 31.998 -3.340 1.00 25.28 O HETATM 1709 O HOH 58 65.784 35.048 -4.891 1.00 31.93 O HETATM 1710 O HOH 59 38.338 26.038 9.794 1.00 36.28 O HETATM 1711 O HOH 60 38.687 23.923 18.044 1.00 35.85 O HETATM 1712 O HOH 61 40.369 20.412 12.703 1.00 41.12 O HETATM 1713 O HOH 62 61.517 29.840 -1.282 1.00 31.88 O HETATM 1714 O HOH 63 43.579 21.167 20.472 1.00 46.34 O HETATM 1715 O HOH 64 48.930 19.208 18.754 1.00 37.99 O HETATM 1716 O HOH 65 51.540 21.001 22.230 1.00 44.93 O HETATM 1717 O HOH 66 57.590 21.846 19.307 1.00 43.92 O HETATM 1718 O HOH 67 55.752 39.252 -3.796 1.00 31.10 O HETATM 1719 O HOH 68 58.582 35.283 -7.447 1.00 39.15 O HETATM 1720 O HOH 69 69.182 24.283 8.191 1.00 43.21 O HETATM 1721 O HOH 70 54.896 36.975 -10.143 1.00 38.16 O HETATM 1722 O HOH 71 54.650 38.404 -6.116 1.00 29.35 O HETATM 1723 O HOH 72 44.752 30.794 -3.910 1.00 29.90 O HETATM 1724 O HOH 73 45.602 41.146 -7.792 1.00 45.03 O HETATM 1725 O HOH 74 47.392 31.736 -10.949 1.00 24.33 O HETATM 1726 O HOH 75 45.181 30.021 -10.810 1.00 33.95 O HETATM 1727 O HOH 76 40.588 28.126 -8.990 1.00 57.09 O HETATM 1728 O HOH 77 41.945 29.836 4.332 1.00 34.10 O HETATM 1729 O HOH 78 42.275 32.325 2.490 1.00 33.49 O HETATM 1730 O HOH 79 38.814 28.061 3.058 1.00 50.10 O HETATM 1731 O HOH 80 44.318 22.306 12.934 1.00 17.69 O HETATM 1732 O HOH 81 57.633 34.436 5.731 1.00 18.85 O HETATM 1733 O HOH 82 63.103 27.012 2.551 1.00 26.89 O HETATM 1734 O HOH 83 52.071 46.152 30.143 1.00 54.40 O HETATM 1735 O HOH 84 57.247 36.050 9.627 1.00 29.37 O HETATM 1736 O HOH 85 52.980 58.246 17.224 1.00 44.67 O HETATM 1737 O HOH 86 51.833 62.709 18.071 1.00 40.50 O HETATM 1738 O HOH 87 68.963 28.710 2.641 1.00 25.97 O HETATM 1739 O HOH 88 69.832 31.732 5.123 1.00 15.96 O HETATM 1740 O HOH 89 75.150 31.512 9.373 1.00 24.10 O HETATM 1741 O HOH 90 73.639 28.761 9.876 1.00 41.38 O HETATM 1742 O HOH 91 69.828 25.296 4.444 1.00 29.99 O HETATM 1743 O HOH 92 73.019 34.543 3.910 1.00 23.13 O HETATM 1744 O HOH 93 68.318 26.869 15.741 1.00 44.33 O HETATM 1745 O HOH 94 70.778 28.912 17.099 1.00 38.86 O HETATM 1746 O HOH 95 77.164 39.143 9.933 1.00 43.82 O HETATM 1747 O HOH 96 76.926 39.023 18.684 1.00 28.21 O HETATM 1748 O HOH 97 80.227 34.707 12.481 1.00 39.71 O HETATM 1749 O HOH 98 78.145 34.770 8.975 1.00 39.79 O HETATM 1750 O HOH 99 76.509 40.779 23.100 1.00 45.87 O HETATM 1751 O HOH 100 78.816 46.575 19.617 1.00 39.06 O HETATM 1752 O HOH 101 60.904 46.383 9.277 1.00 33.06 O HETATM 1753 O HOH 102 39.527 27.097 7.461 1.00 50.04 O HETATM 1754 O HOH 103 39.044 24.301 11.600 1.00 23.07 O HETATM 1755 O HOH 104 37.964 25.440 15.922 1.00 19.30 O HETATM 1756 O HOH 105 36.813 25.393 12.768 1.00 31.52 O HETATM 1757 O HOH 106 34.137 28.417 15.162 1.00 35.71 O HETATM 1758 O HOH 107 41.125 31.721 20.256 1.00 20.49 O HETATM 1759 O HOH 108 46.309 26.438 17.288 1.00 17.90 O HETATM 1760 O HOH 109 40.628 23.080 14.386 1.00 27.06 O HETATM 1761 O HOH 110 41.837 25.180 19.874 1.00 23.13 O HETATM 1762 O HOH 111 43.087 23.954 22.401 1.00 42.53 O HETATM 1763 O HOH 112 42.813 25.155 25.397 1.00 32.11 O HETATM 1764 O HOH 113 37.570 25.539 22.053 1.00 53.74 O HETATM 1765 O HOH 114 49.420 24.956 20.744 1.00 21.76 O HETATM 1766 O HOH 115 44.873 21.607 22.851 1.00 48.68 O HETATM 1767 O HOH 116 48.459 21.010 20.901 1.00 44.07 O HETATM 1768 O HOH 117 49.353 23.205 22.694 1.00 37.75 O HETATM 1769 O HOH 118 42.848 22.717 18.202 1.00 24.01 O HETATM 1770 O HOH 119 49.503 19.817 16.200 1.00 29.76 O HETATM 1771 O HOH 120 52.096 25.369 20.740 1.00 19.16 O HETATM 1772 O HOH 121 54.731 21.838 19.343 1.00 34.97 O HETATM 1773 O HOH 122 53.818 23.361 21.216 1.00 35.97 O HETATM 1774 O HOH 123 56.148 27.279 23.672 1.00 31.75 O HETATM 1775 O HOH 124 60.227 22.925 19.183 1.00 47.67 O HETATM 1776 O HOH 125 52.916 17.291 12.363 1.00 39.90 O HETATM 1777 O HOH 126 52.886 15.345 16.871 1.00 43.63 O HETATM 1778 O HOH 127 53.822 19.389 19.819 1.00 25.62 O HETATM 1779 O HOH 128 65.174 25.784 16.720 1.00 31.35 O HETATM 1780 O HOH 129 61.502 16.839 6.285 1.00 34.68 O HETATM 1781 O HOH 130 66.124 24.407 7.628 1.00 37.85 O HETATM 1782 O HOH 131 66.436 28.052 19.617 1.00 25.62 O HETATM 1783 O HOH 132 59.325 27.519 24.105 1.00 28.06 O HETATM 1784 O HOH 133 62.745 31.239 23.428 1.00 26.86 O HETATM 1785 O HOH 134 60.428 34.671 22.743 1.00 14.58 O HETATM 1786 O HOH 135 62.568 33.455 25.569 1.00 14.78 O HETATM 1787 O HOH 136 70.818 35.224 23.318 1.00 42.84 O HETATM 1788 O HOH 137 69.615 34.495 20.754 1.00 36.21 O HETATM 1789 O HOH 138 68.908 29.816 23.224 1.00 54.29 O HETATM 1790 O HOH 139 48.208 50.717 21.582 1.00 23.88 O HETATM 1791 O HOH 140 46.596 45.362 17.291 1.00 22.75 O HETATM 1792 O HOH 141 44.514 45.928 15.819 1.00 40.47 O HETATM 1793 O HOH 142 45.140 43.979 19.152 1.00 21.97 O HETATM 1794 O HOH 143 42.378 45.606 19.156 1.00 22.67 O HETATM 1795 O HOH 144 43.613 52.936 14.673 1.00 51.87 O HETATM 1796 O HOH 145 46.392 52.933 10.716 1.00 48.59 O HETATM 1797 O HOH 146 39.979 41.563 19.460 1.00 31.67 O HETATM 1798 O HOH 147 42.310 42.256 18.651 1.00 28.54 O HETATM 1799 O HOH 148 47.221 42.028 19.258 1.00 17.61 O HETATM 1800 O HOH 149 48.201 38.804 26.592 1.00 14.02 O HETATM 1801 O HOH 150 42.717 33.314 21.579 1.00 19.86 O HETATM 1802 O HOH 151 49.685 35.188 30.964 1.00 32.84 O HETATM 1803 O HOH 152 55.575 28.426 28.647 1.00 51.33 O HETATM 1804 O HOH 153 47.083 28.879 30.280 1.00 29.47 O HETATM 1805 O HOH 154 57.963 30.584 27.667 1.00 37.26 O HETATM 1806 O HOH 155 53.846 42.673 28.826 1.00 18.54 O HETATM 1807 O HOH 156 53.797 47.490 27.818 1.00 31.34 O HETATM 1808 O HOH 157 53.181 56.169 18.873 1.00 36.29 O HETATM 1809 O HOH 158 52.069 60.594 21.435 1.00 45.95 O HETATM 1810 O HOH 159 67.508 52.321 26.951 1.00 16.85 O HETATM 1811 O HOH 160 63.048 49.435 31.543 1.00 33.97 O HETATM 1812 O HOH 161 64.310 41.672 31.602 1.00 42.84 O HETATM 1813 O HOH 162 73.297 44.431 32.049 1.00 40.32 O HETATM 1814 O HOH 163 35.648 25.571 14.911 1.00 35.26 O HETATM 1815 O HOH 164 54.716 42.915 4.448 1.00 44.74 O HETATM 1816 C14 QZE A 165 53.887 35.904 8.030 1.00 0.06 C HETATM 1817 C10 QZE A 165 52.643 35.245 7.852 1.00 0.15 C HETATM 1818 C9 QZE A 165 51.498 35.807 7.415 1.00 0.03 C HETATM 1819 C16 QZE A 165 51.489 37.238 7.127 1.00 0.01 C HETATM 1820 C17 QZE A 165 52.347 37.802 6.212 1.00 -0.04 C HETATM 1821 C18 QZE A 165 52.330 39.161 5.943 1.00 -0.04 C HETATM 1822 C19 QZE A 165 51.446 39.978 6.602 1.00 0.02 C HETATM 1823 C20 QZE A 165 50.569 39.431 7.517 1.00 -0.04 C HETATM 1824 C21 QZE A 165 50.595 38.069 7.779 1.00 -0.04 C HETATM 1825 H5 QZE A 165 49.906 37.650 8.504 1.00 0.07 H HETATM 1826 H7 QZE A 165 49.858 40.067 8.032 1.00 0.07 H HETATM 1827 C22 QZE A 165 51.454 41.428 6.277 1.00 0.07 C HETATM 1828 O23 QZE A 165 51.946 41.899 5.254 1.00 -0.56 O HETATM 1829 O24 QZE A 165 50.861 42.145 7.266 1.00 -0.56 O HETATM 1830 H6 QZE A 165 53.014 39.578 5.213 1.00 0.07 H HETATM 1831 H4 QZE A 165 53.054 37.168 5.689 1.00 0.07 H HETATM 1832 C8 QZE A 165 50.340 34.990 7.253 1.00 0.04 C HETATM 1833 C7 QZE A 165 50.402 33.684 7.532 1.00 0.12 C HETATM 1834 C5 QZE A 165 49.249 32.838 7.324 1.00 0.02 C HETATM 1835 C6 QZE A 165 49.168 31.586 7.881 1.00 -0.05 C HETATM 1836 C1 QZE A 165 48.067 30.789 7.669 1.00 -0.07 C HETATM 1837 C2 QZE A 165 47.037 31.247 6.889 1.00 -0.06 C HETATM 1838 C3 QZE A 165 47.117 32.493 6.323 1.00 -0.03 C HETATM 1839 C27 QZE A 165 45.979 32.901 5.520 1.00 0.00 C HETATM 1840 C31 QZE A 165 45.236 33.993 5.781 1.00 0.06 C HETATM 1841 N30 QZE A 165 44.244 34.229 5.026 1.00 -0.22 N HETATM 1842 N29 QZE A 165 44.240 33.174 4.106 1.00 -0.22 N HETATM 1843 C28 QZE A 165 45.416 32.201 4.357 1.00 0.01 C HETATM 1844 H9 QZE A 165 45.726 31.294 3.841 1.00 0.07 H HETATM 1845 H12 QZE A 165 43.587 35.021 5.078 1.00 0.26 H HETATM 1846 H8 QZE A 165 45.479 34.652 6.613 1.00 0.10 H HETATM 1847 C4 QZE A 165 48.216 33.301 6.536 1.00 -0.02 C HETATM 1848 C26 QZE A 165 48.317 34.654 5.911 1.00 -0.07 C HETATM 1849 C25 QZE A 165 49.088 35.625 6.762 1.00 -0.06 C HETATM 1850 H11 QZE A 165 48.777 36.639 6.985 1.00 0.06 H HETATM 1851 H10 QZE A 165 47.883 34.908 4.951 1.00 0.05 H HETATM 1852 H2 QZE A 165 46.164 30.627 6.721 1.00 0.06 H HETATM 1853 H1 QZE A 165 48.014 29.803 8.117 1.00 0.06 H HETATM 1854 H3 QZE A 165 49.982 31.221 8.496 1.00 0.06 H HETATM 1855 N13 QZE A 165 51.552 33.115 7.986 1.00 -0.22 N HETATM 1856 C11 QZE A 165 52.696 33.800 8.161 1.00 0.23 C HETATM 1857 O12 QZE A 165 53.721 33.269 8.567 1.00 -0.40 O HETATM 1858 H13 QZE A 165 51.546 32.138 8.200 1.00 0.25 H HETATM 1859 N15 QZE A 165 54.866 36.517 8.129 1.00 -0.37 N CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 960 959 1652 CONECT 1295 1296 1303 1304 1305 CONECT 1303 1295 CONECT 1304 1295 CONECT 1305 1295 CONECT 1652 960 CONECT 1816 1817 1859 CONECT 1817 1816 1818 1856 CONECT 1818 1817 1819 1832 CONECT 1819 1818 1820 1824 CONECT 1820 1819 1821 1831 CONECT 1821 1820 1822 1830 CONECT 1822 1821 1823 1827 CONECT 1823 1822 1824 1826 CONECT 1824 1819 1823 1825 CONECT 1825 1824 CONECT 1826 1823 CONECT 1827 1822 1828 1829 CONECT 1828 1827 CONECT 1829 1827 CONECT 1830 1821 CONECT 1831 1820 CONECT 1832 1818 1833 1849 CONECT 1833 1832 1834 1855 CONECT 1834 1833 1835 1847 CONECT 1835 1834 1836 1854 CONECT 1836 1835 1837 1853 CONECT 1837 1836 1838 1852 CONECT 1838 1837 1839 1847 CONECT 1839 1838 1840 1843 CONECT 1840 1839 1841 1846 CONECT 1841 1840 1842 1845 CONECT 1842 1841 1843 CONECT 1843 1839 1842 1844 CONECT 1844 1843 CONECT 1845 1841 CONECT 1846 1840 CONECT 1847 1834 1838 1848 CONECT 1848 1847 1849 1851 CONECT 1849 1832 1848 1850 CONECT 1850 1849 CONECT 1851 1848 CONECT 1852 1837 CONECT 1853 1836 CONECT 1854 1835 CONECT 1855 1833 1856 1858 CONECT 1856 1817 1855 1857 CONECT 1857 1856 CONECT 1858 1855 CONECT 1859 1816 MASTER 0 0 0 0 0 0 0 0 1857 2 54 16 END
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Structure:
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Related entries of code: 4unr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1mrn
RCSB PDB
PDBbind
214aa, >1MRN_1|Chain... *
1mrs
RCSB PDB
PDBbind
214aa, >1MRS_1|Chain... at 100%
1w2g
RCSB PDB
PDBbind
214aa, >1W2G_1|Chains... at 100%
1w2h
RCSB PDB
PDBbind
214aa, >1W2H_1|Chains... at 100%
4unn
RCSB PDB
PDBbind
214aa, >4UNN_1|Chains... at 99%
4unp
RCSB PDB
PDBbind
210aa, >4UNP_1|Chain... at 100%
4unq
RCSB PDB
PDBbind
210aa, >4UNQ_1|Chains... at 100%
4uns
RCSB PDB
PDBbind
210aa, >4UNS_1|Chains... at 100%
5nq5
RCSB PDB
PDBbind
214aa, >5NQ5_1|Chain... at 100%
5nr7
RCSB PDB
PDBbind
214aa, >5NR7_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4unr
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
M. Tuberculosis Thymidylate Kinase (Mtb Tmk)
Ligand Name
QZE
EC.Number
E.C.2.7.4.9
Resolution
1.98(Å)
Affinity (Kd/Ki/IC50)
IC50=0.002uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) J.Med.Chem. Vol. 58: pp. 753-766
Ligand Properties
Formula
C
2
4
H
1
4
N
4
O
3
Molecular Weight
406.393
Exact Mass
406.107
No. of atoms
45
No. of bonds
49
Polar Surface Area
122.63
LOGP Value
4.22 (
Computed with XLOGP3
)
4.31 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 5
Canonical SMILES
N#Cc1c(=O)[nH]c2c(c1c1ccc(cc1)C(=O)O)ccc1c2cccc1c1c[nH]nc1
InChI String
InChI=1S/C24H14N4O3/c25-10-20-21(13-4-6-14(7-5-13)24(30)31)19-9-8-17-16(15-11-26-27-12-15)2-1-3-18(17)22(19)28-23(20)29/h1-9,11-12H,(H,26,27)(H,28,29)(H,30,31)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P9WKE1
Entrez Gene ID
NCBI Entrez Gene ID:
888740
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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