EXPDTA T0348TS034_2-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called T0348TS034_2-scwrl ATOM 1 N MET 1 -3.738 1.450 -16.563 1.00 0.00 ATOM 2 CA MET 1 -3.738 1.450 -15.113 1.00 0.00 ATOM 3 CB MET 1 -4.455 0.209 -14.577 1.00 0.00 ATOM 4 CG MET 1 -5.943 0.172 -14.882 1.00 0.00 ATOM 5 SD MET 1 -6.843 1.540 -14.127 1.00 0.00 ATOM 6 CE MET 1 -6.727 1.105 -12.393 1.00 0.00 ATOM 7 O MET 1 -2.122 1.450 -13.331 1.00 0.00 ATOM 8 C MET 1 -2.325 1.450 -14.554 1.00 0.00 ATOM 9 N ASP 2 -1.319 1.450 -15.425 1.00 0.00 ATOM 10 CA ASP 2 0.050 1.385 -14.951 1.00 0.00 ATOM 11 CB ASP 2 0.996 1.017 -16.096 1.00 0.00 ATOM 12 CG ASP 2 0.856 -0.430 -16.525 1.00 0.00 ATOM 13 OD1 ASP 2 0.229 -1.213 -15.781 1.00 0.00 ATOM 14 OD2 ASP 2 1.374 -0.782 -17.606 1.00 0.00 ATOM 15 O ASP 2 1.470 2.780 -13.599 1.00 0.00 ATOM 16 C ASP 2 0.507 2.716 -14.378 1.00 0.00 ATOM 17 N ALA 3 -0.163 3.805 -14.744 1.00 0.00 ATOM 18 CA ALA 3 0.256 5.109 -14.269 1.00 0.00 ATOM 19 CB ALA 3 -0.668 6.191 -14.807 1.00 0.00 ATOM 20 O ALA 3 1.223 5.573 -12.115 1.00 0.00 ATOM 21 C ALA 3 0.232 5.186 -12.751 1.00 0.00 ATOM 22 N LYS 4 -0.890 4.822 -12.136 1.00 0.00 ATOM 23 CA LYS 4 -0.971 4.867 -10.689 1.00 0.00 ATOM 24 CB LYS 4 -2.325 4.338 -10.211 1.00 0.00 ATOM 25 CG LYS 4 -3.496 5.255 -10.527 1.00 0.00 ATOM 26 CD LYS 4 -4.806 4.671 -10.023 1.00 0.00 ATOM 27 CE LYS 4 -5.979 5.576 -10.360 1.00 0.00 ATOM 28 NZ LYS 4 -7.274 5.001 -9.902 1.00 0.00 ATOM 29 O LYS 4 0.720 4.422 -9.036 1.00 0.00 ATOM 30 C LYS 4 0.114 4.022 -10.041 1.00 0.00 ATOM 31 N PHE 5 0.385 2.843 -10.593 1.00 0.00 ATOM 32 CA PHE 5 1.403 1.988 -10.014 1.00 0.00 ATOM 33 CB PHE 5 1.384 0.609 -10.675 1.00 0.00 ATOM 34 CG PHE 5 2.402 -0.345 -10.118 1.00 0.00 ATOM 35 CD1 PHE 5 2.187 -0.978 -8.906 1.00 0.00 ATOM 36 CD2 PHE 5 3.573 -0.609 -10.806 1.00 0.00 ATOM 37 CE1 PHE 5 3.124 -1.856 -8.393 1.00 0.00 ATOM 38 CE2 PHE 5 4.510 -1.487 -10.293 1.00 0.00 ATOM 39 CZ PHE 5 4.289 -2.109 -9.092 1.00 0.00 ATOM 40 O PHE 5 3.644 2.490 -9.297 1.00 0.00 ATOM 41 C PHE 5 2.794 2.573 -10.196 1.00 0.00 ATOM 42 N LEU 6 3.062 3.173 -11.352 1.00 0.00 ATOM 43 CA LEU 6 4.373 3.747 -11.585 1.00 0.00 ATOM 44 CB LEU 6 4.457 4.338 -12.994 1.00 0.00 ATOM 45 CG LEU 6 4.452 3.336 -14.150 1.00 0.00 ATOM 46 CD1 LEU 6 4.356 4.058 -15.486 1.00 0.00 ATOM 47 CD2 LEU 6 5.728 2.507 -14.149 1.00 0.00 ATOM 48 O LEU 6 5.826 5.016 -10.147 1.00 0.00 ATOM 49 C LEU 6 4.680 4.858 -10.594 1.00 0.00 ATOM 50 N GLU 7 3.676 5.650 -10.228 1.00 0.00 ATOM 51 CA GLU 7 3.910 6.731 -9.290 1.00 0.00 ATOM 52 CB GLU 7 2.624 7.526 -9.057 1.00 0.00 ATOM 53 CG GLU 7 2.189 8.366 -10.247 1.00 0.00 ATOM 54 CD GLU 7 0.850 9.041 -10.026 1.00 0.00 ATOM 55 OE1 GLU 7 0.227 8.794 -8.972 1.00 0.00 ATOM 56 OE2 GLU 7 0.424 9.818 -10.906 1.00 0.00 ATOM 57 O GLU 7 5.262 6.807 -7.301 1.00 0.00 ATOM 58 C GLU 7 4.386 6.209 -7.944 1.00 0.00 ATOM 59 N ILE 8 3.829 5.092 -7.486 1.00 0.00 ATOM 60 CA ILE 8 4.291 4.509 -6.241 1.00 0.00 ATOM 61 CB ILE 8 3.433 3.297 -5.833 1.00 0.00 ATOM 62 CG1 ILE 8 2.017 3.745 -5.467 1.00 0.00 ATOM 63 CG2 ILE 8 4.042 2.594 -4.629 1.00 0.00 ATOM 64 CD1 ILE 8 1.037 2.603 -5.309 1.00 0.00 ATOM 65 O ILE 8 6.547 4.260 -5.443 1.00 0.00 ATOM 66 C ILE 8 5.729 4.030 -6.347 1.00 0.00 ATOM 67 N LEU 9 6.074 3.359 -7.442 1.00 0.00 ATOM 68 CA LEU 9 7.428 2.860 -7.591 1.00 0.00 ATOM 69 CB LEU 9 7.541 1.983 -8.839 1.00 0.00 ATOM 70 CG LEU 9 6.810 0.639 -8.793 1.00 0.00 ATOM 71 CD1 LEU 9 6.855 -0.045 -10.150 1.00 0.00 ATOM 72 CD2 LEU 9 7.453 -0.287 -7.772 1.00 0.00 ATOM 73 O LEU 9 9.498 3.982 -7.096 1.00 0.00 ATOM 74 C LEU 9 8.430 3.995 -7.726 1.00 0.00 ATOM 75 N VAL 10 8.117 4.997 -8.542 1.00 0.00 ATOM 76 CA VAL 10 9.081 6.048 -8.804 1.00 0.00 ATOM 77 CB VAL 10 8.955 6.583 -10.243 1.00 0.00 ATOM 78 CG1 VAL 10 9.185 5.466 -11.249 1.00 0.00 ATOM 79 CG2 VAL 10 7.569 7.163 -10.476 1.00 0.00 ATOM 80 O VAL 10 9.604 8.238 -7.956 1.00 0.00 ATOM 81 C VAL 10 8.892 7.228 -7.864 1.00 0.00 ATOM 82 N CYS 11 7.937 7.132 -6.943 1.00 0.00 ATOM 83 CA CYS 11 7.700 8.231 -6.028 1.00 0.00 ATOM 84 CB CYS 11 6.254 8.210 -5.529 1.00 0.00 ATOM 85 SG CYS 11 5.841 6.785 -4.495 1.00 0.00 ATOM 86 O CYS 11 9.416 7.221 -4.678 1.00 0.00 ATOM 87 C CYS 11 8.613 8.156 -4.815 1.00 0.00 ATOM 88 N PRO 12 8.516 9.127 -3.911 1.00 0.00 ATOM 89 CA PRO 12 9.362 9.109 -2.734 1.00 0.00 ATOM 90 CB PRO 12 9.107 10.466 -2.074 1.00 0.00 ATOM 91 CG PRO 12 7.791 10.906 -2.622 1.00 0.00 ATOM 92 CD PRO 12 7.707 10.339 -4.011 1.00 0.00 ATOM 93 O PRO 12 9.871 7.356 -1.167 1.00 0.00 ATOM 94 C PRO 12 8.997 7.966 -1.801 1.00 0.00 ATOM 95 N LEU 13 7.711 7.647 -1.693 1.00 0.00 ATOM 96 CA LEU 13 7.304 6.555 -0.830 1.00 0.00 ATOM 97 CB LEU 13 5.779 6.436 -0.800 1.00 0.00 ATOM 98 CG LEU 13 5.025 7.562 -0.091 1.00 0.00 ATOM 99 CD1 LEU 13 3.524 7.414 -0.291 1.00 0.00 ATOM 100 CD2 LEU 13 5.309 7.542 1.404 1.00 0.00 ATOM 101 O LEU 13 8.343 4.409 -0.505 1.00 0.00 ATOM 102 C LEU 13 7.866 5.226 -1.307 1.00 0.00 ATOM 103 N CYS 14 7.827 4.975 -2.612 1.00 0.00 ATOM 104 CA CYS 14 8.324 3.713 -3.124 1.00 0.00 ATOM 105 CB CYS 14 7.563 3.311 -4.389 1.00 0.00 ATOM 106 SG CYS 14 8.058 1.717 -5.083 1.00 0.00 ATOM 107 O CYS 14 10.346 4.886 -3.696 1.00 0.00 ATOM 108 C CYS 14 9.801 3.795 -3.474 1.00 0.00 ATOM 109 N LYS 15 10.482 2.654 -3.533 1.00 0.00 ATOM 110 CA LYS 15 11.895 2.669 -3.860 1.00 0.00 ATOM 111 CB LYS 15 12.729 2.238 -2.652 1.00 0.00 ATOM 112 CG LYS 15 12.682 3.213 -1.486 1.00 0.00 ATOM 113 CD LYS 15 13.522 2.719 -0.320 1.00 0.00 ATOM 114 CE LYS 15 13.303 3.573 0.919 1.00 0.00 ATOM 115 NZ LYS 15 14.175 3.147 2.048 1.00 0.00 ATOM 116 O LYS 15 13.365 1.632 -5.458 1.00 0.00 ATOM 117 C LYS 15 12.214 1.724 -5.007 1.00 0.00 ATOM 118 N GLY 16 11.213 1.002 -5.504 1.00 0.00 ATOM 119 CA GLY 16 11.459 0.073 -6.590 1.00 0.00 ATOM 120 O GLY 16 11.981 -1.679 -5.025 1.00 0.00 ATOM 121 C GLY 16 11.456 -1.368 -6.104 1.00 0.00 ATOM 122 N PRO 17 10.870 -2.276 -6.880 1.00 0.00 ATOM 123 CA PRO 17 10.845 -3.668 -6.474 1.00 0.00 ATOM 124 CB PRO 17 12.069 -3.811 -5.567 1.00 0.00 ATOM 125 CG PRO 17 12.225 -2.468 -4.936 1.00 0.00 ATOM 126 CD PRO 17 11.837 -1.466 -5.986 1.00 0.00 ATOM 127 O PRO 17 9.281 -5.187 -5.457 1.00 0.00 ATOM 128 C PRO 17 9.565 -4.011 -5.729 1.00 0.00 ATOM 129 N LEU 18 8.767 -3.005 -5.384 1.00 0.00 ATOM 130 CA LEU 18 7.529 -3.271 -4.678 1.00 0.00 ATOM 131 CB LEU 18 6.884 -1.963 -4.216 1.00 0.00 ATOM 132 CG LEU 18 7.675 -1.139 -3.199 1.00 0.00 ATOM 133 CD1 LEU 18 6.983 0.188 -2.926 1.00 0.00 ATOM 134 CD2 LEU 18 7.802 -1.888 -1.882 1.00 0.00 ATOM 135 O LEU 18 6.622 -3.965 -6.796 1.00 0.00 ATOM 136 C LEU 18 6.527 -3.999 -5.560 1.00 0.00 ATOM 137 N VAL 19 5.551 -4.670 -4.956 1.00 0.00 ATOM 138 CA VAL 19 4.591 -5.418 -5.744 1.00 0.00 ATOM 139 CB VAL 19 4.294 -6.792 -5.116 1.00 0.00 ATOM 140 CG1 VAL 19 3.229 -7.525 -5.918 1.00 0.00 ATOM 141 CG2 VAL 19 5.551 -7.649 -5.090 1.00 0.00 ATOM 142 O VAL 19 2.794 -4.059 -4.900 1.00 0.00 ATOM 143 C VAL 19 3.268 -4.680 -5.863 1.00 0.00 ATOM 144 N PHE 20 2.642 -4.726 -7.036 1.00 0.00 ATOM 145 CA PHE 20 1.375 -4.042 -7.209 1.00 0.00 ATOM 146 CB PHE 20 1.547 -2.815 -8.107 1.00 0.00 ATOM 147 CG PHE 20 0.307 -1.975 -8.229 1.00 0.00 ATOM 148 CD1 PHE 20 -0.052 -1.096 -7.223 1.00 0.00 ATOM 149 CD2 PHE 20 -0.499 -2.064 -9.351 1.00 0.00 ATOM 150 CE1 PHE 20 -1.192 -0.323 -7.335 1.00 0.00 ATOM 151 CE2 PHE 20 -1.639 -1.291 -9.463 1.00 0.00 ATOM 152 CZ PHE 20 -1.987 -0.424 -8.461 1.00 0.00 ATOM 153 O PHE 20 0.291 -5.102 -9.078 1.00 0.00 ATOM 154 C PHE 20 0.334 -4.947 -7.849 1.00 0.00 ATOM 155 N ASP 21 -0.524 -5.562 -7.040 1.00 0.00 ATOM 156 CA ASP 21 -1.576 -6.392 -7.595 1.00 0.00 ATOM 157 CB ASP 21 -2.382 -7.055 -6.476 1.00 0.00 ATOM 158 CG ASP 21 -3.422 -8.024 -7.003 1.00 0.00 ATOM 159 OD1 ASP 21 -3.631 -8.060 -8.234 1.00 0.00 ATOM 160 OD2 ASP 21 -4.029 -8.746 -6.185 1.00 0.00 ATOM 161 O ASP 21 -3.305 -4.752 -7.928 1.00 0.00 ATOM 162 C ASP 21 -2.540 -5.579 -8.445 1.00 0.00 ATOM 163 N LYS 22 -2.528 -5.790 -9.758 1.00 0.00 ATOM 164 CA LYS 22 -3.408 -5.027 -10.622 1.00 0.00 ATOM 165 CB LYS 22 -2.926 -5.096 -12.073 1.00 0.00 ATOM 166 CG LYS 22 -1.598 -4.399 -12.319 1.00 0.00 ATOM 167 CD LYS 22 -1.175 -4.516 -13.774 1.00 0.00 ATOM 168 CE LYS 22 0.140 -3.797 -14.027 1.00 0.00 ATOM 169 NZ LYS 22 0.557 -3.885 -15.453 1.00 0.00 ATOM 170 O LYS 22 -5.778 -4.884 -11.013 1.00 0.00 ATOM 171 C LYS 22 -4.832 -5.557 -10.578 1.00 0.00 ATOM 172 N SER 23 -5.022 -6.766 -10.058 1.00 0.00 ATOM 173 CA SER 23 -6.368 -7.253 -9.825 1.00 0.00 ATOM 174 CB SER 23 -6.342 -8.729 -9.422 1.00 0.00 ATOM 175 OG SER 23 -5.880 -9.540 -10.488 1.00 0.00 ATOM 176 O SER 23 -8.231 -6.096 -8.836 1.00 0.00 ATOM 177 C SER 23 -7.058 -6.479 -8.714 1.00 0.00 ATOM 178 N LYS 24 -6.358 -6.231 -7.611 1.00 0.00 ATOM 179 CA LYS 24 -6.983 -5.555 -6.491 1.00 0.00 ATOM 180 CB LYS 24 -6.411 -6.068 -5.168 1.00 0.00 ATOM 181 CG LYS 24 -6.720 -7.529 -4.883 1.00 0.00 ATOM 182 CD LYS 24 -6.137 -7.966 -3.549 1.00 0.00 ATOM 183 CE LYS 24 -6.484 -9.415 -3.244 1.00 0.00 ATOM 184 NZ LYS 24 -5.937 -9.851 -1.929 1.00 0.00 ATOM 185 O LYS 24 -7.438 -3.278 -5.860 1.00 0.00 ATOM 186 C LYS 24 -6.755 -4.053 -6.546 1.00 0.00 ATOM 187 N ASP 25 -5.798 -3.607 -7.353 1.00 0.00 ATOM 188 CA ASP 25 -5.411 -2.210 -7.316 1.00 0.00 ATOM 189 CB ASP 25 -6.643 -1.310 -7.431 1.00 0.00 ATOM 190 CG ASP 25 -7.358 -1.467 -8.758 1.00 0.00 ATOM 191 OD1 ASP 25 -6.693 -1.349 -9.809 1.00 0.00 ATOM 192 OD2 ASP 25 -8.583 -1.710 -8.747 1.00 0.00 ATOM 193 O ASP 25 -4.856 -0.755 -5.481 1.00 0.00 ATOM 194 C ASP 25 -4.698 -1.861 -6.020 1.00 0.00 ATOM 195 N GLU 26 -3.902 -2.785 -5.489 1.00 0.00 ATOM 196 CA GLU 26 -3.241 -2.532 -4.223 1.00 0.00 ATOM 197 CB GLU 26 -3.814 -3.435 -3.129 1.00 0.00 ATOM 198 CG GLU 26 -3.196 -3.218 -1.758 1.00 0.00 ATOM 199 CD GLU 26 -3.836 -4.080 -0.687 1.00 0.00 ATOM 200 OE1 GLU 26 -4.701 -4.912 -1.033 1.00 0.00 ATOM 201 OE2 GLU 26 -3.473 -3.923 0.498 1.00 0.00 ATOM 202 O GLU 26 -1.313 -3.919 -4.606 1.00 0.00 ATOM 203 C GLU 26 -1.747 -2.796 -4.309 1.00 0.00 ATOM 204 N LEU 27 -0.928 -1.780 -4.054 1.00 0.00 ATOM 205 CA LEU 27 0.508 -1.969 -4.131 1.00 0.00 ATOM 206 CB LEU 27 1.179 -0.737 -4.742 1.00 0.00 ATOM 207 CG LEU 27 2.705 -0.774 -4.839 1.00 0.00 ATOM 208 CD1 LEU 27 3.156 -1.869 -5.794 1.00 0.00 ATOM 209 CD2 LEU 27 3.244 0.553 -5.350 1.00 0.00 ATOM 210 O LEU 27 1.056 -1.325 -1.878 1.00 0.00 ATOM 211 C LEU 27 1.116 -2.198 -2.757 1.00 0.00 ATOM 212 N ILE 28 1.712 -3.366 -2.536 1.00 0.00 ATOM 213 CA ILE 28 2.338 -3.630 -1.255 1.00 0.00 ATOM 214 CB ILE 28 1.966 -5.026 -0.722 1.00 0.00 ATOM 215 CG1 ILE 28 0.454 -5.131 -0.511 1.00 0.00 ATOM 216 CG2 ILE 28 2.658 -5.291 0.607 1.00 0.00 ATOM 217 CD1 ILE 28 -0.024 -6.535 -0.210 1.00 0.00 ATOM 218 O ILE 28 4.465 -4.209 -2.221 1.00 0.00 ATOM 219 C ILE 28 3.854 -3.571 -1.351 1.00 0.00 ATOM 220 N CYS 29 4.495 -2.811 -0.468 1.00 0.00 ATOM 221 CA CYS 29 5.943 -2.732 -0.495 1.00 0.00 ATOM 222 CB CYS 29 6.411 -1.338 -0.074 1.00 0.00 ATOM 223 SG CYS 29 8.207 -1.125 -0.062 1.00 0.00 ATOM 224 O CYS 29 6.610 -3.537 1.672 1.00 0.00 ATOM 225 C CYS 29 6.576 -3.741 0.449 1.00 0.00 ATOM 226 N LYS 30 7.088 -4.845 -0.086 1.00 0.00 ATOM 227 CA LYS 30 7.699 -5.847 0.766 1.00 0.00 ATOM 228 CB LYS 30 8.034 -7.104 -0.040 1.00 0.00 ATOM 229 CG LYS 30 6.817 -7.898 -0.485 1.00 0.00 ATOM 230 CD LYS 30 7.221 -9.127 -1.282 1.00 0.00 ATOM 231 CE LYS 30 6.004 -9.922 -1.727 1.00 0.00 ATOM 232 NZ LYS 30 6.384 -11.114 -2.535 1.00 0.00 ATOM 233 O LYS 30 9.402 -5.802 2.466 1.00 0.00 ATOM 234 C LYS 30 8.987 -5.339 1.393 1.00 0.00 ATOM 235 N GLY 31 9.648 -4.382 0.748 1.00 0.00 ATOM 236 CA GLY 31 10.886 -3.861 1.295 1.00 0.00 ATOM 237 O GLY 31 11.135 -3.146 3.579 1.00 0.00 ATOM 238 C GLY 31 10.631 -2.928 2.467 1.00 0.00 ATOM 239 N ASP 32 9.849 -1.873 2.254 1.00 0.00 ATOM 240 CA ASP 32 9.557 -0.956 3.338 1.00 0.00 ATOM 241 CB ASP 32 8.922 0.327 2.798 1.00 0.00 ATOM 242 CG ASP 32 9.920 1.214 2.080 1.00 0.00 ATOM 243 OD1 ASP 32 11.137 0.963 2.208 1.00 0.00 ATOM 244 OD2 ASP 32 9.486 2.159 1.389 1.00 0.00 ATOM 245 O ASP 32 8.614 -1.228 5.535 1.00 0.00 ATOM 246 C ASP 32 8.593 -1.567 4.342 1.00 0.00 ATOM 247 N ARG 33 7.730 -2.473 3.892 1.00 0.00 ATOM 248 CA ARG 33 6.783 -3.088 4.802 1.00 0.00 ATOM 249 CB ARG 33 7.465 -3.446 6.124 1.00 0.00 ATOM 250 CG ARG 33 8.532 -4.521 6.001 1.00 0.00 ATOM 251 CD ARG 33 9.158 -4.835 7.350 1.00 0.00 ATOM 252 NE ARG 33 10.232 -5.819 7.240 1.00 0.00 ATOM 253 CZ ARG 33 10.965 -6.243 8.264 1.00 0.00 ATOM 254 NH1 ARG 33 11.921 -7.140 8.068 1.00 0.00 ATOM 255 NH2 ARG 33 10.739 -5.769 9.482 1.00 0.00 ATOM 256 O ARG 33 5.308 -1.896 6.284 1.00 0.00 ATOM 257 C ARG 33 5.622 -2.158 5.113 1.00 0.00 ATOM 258 N LEU 34 4.958 -1.639 4.084 1.00 0.00 ATOM 259 CA LEU 34 3.840 -0.745 4.318 1.00 0.00 ATOM 260 CB LEU 34 4.336 0.684 4.546 1.00 0.00 ATOM 261 CG LEU 34 5.110 0.935 5.841 1.00 0.00 ATOM 262 CD1 LEU 34 5.712 2.332 5.846 1.00 0.00 ATOM 263 CD2 LEU 34 4.194 0.808 7.049 1.00 0.00 ATOM 264 O LEU 34 3.300 -0.850 1.975 1.00 0.00 ATOM 265 C LEU 34 2.884 -0.724 3.137 1.00 0.00 ATOM 266 N ALA 35 1.589 -0.566 3.397 1.00 0.00 ATOM 267 CA ALA 35 0.634 -0.495 2.309 1.00 0.00 ATOM 268 CB ALA 35 -0.786 -0.604 2.842 1.00 0.00 ATOM 269 O ALA 35 0.650 1.905 2.135 1.00 0.00 ATOM 270 C ALA 35 0.748 0.816 1.549 1.00 0.00 ATOM 271 N PHE 36 0.955 0.750 0.237 1.00 0.00 ATOM 272 CA PHE 36 1.117 1.967 -0.534 1.00 0.00 ATOM 273 CB PHE 36 2.456 1.958 -1.274 1.00 0.00 ATOM 274 CG PHE 36 3.651 1.961 -0.364 1.00 0.00 ATOM 275 CD1 PHE 36 4.222 0.772 0.056 1.00 0.00 ATOM 276 CD2 PHE 36 4.206 3.152 0.070 1.00 0.00 ATOM 277 CE1 PHE 36 5.321 0.774 0.893 1.00 0.00 ATOM 278 CE2 PHE 36 5.306 3.154 0.907 1.00 0.00 ATOM 279 CZ PHE 36 5.863 1.972 1.319 1.00 0.00 ATOM 280 O PHE 36 -0.180 1.258 -2.433 1.00 0.00 ATOM 281 C PHE 36 0.014 2.125 -1.568 1.00 0.00 ATOM 282 N PRO 37 -0.732 3.224 -1.507 1.00 0.00 ATOM 283 CA PRO 37 -1.760 3.459 -2.503 1.00 0.00 ATOM 284 CB PRO 37 -3.044 2.964 -1.834 1.00 0.00 ATOM 285 CG PRO 37 -2.580 1.960 -0.833 1.00 0.00 ATOM 286 CD PRO 37 -1.280 2.483 -0.289 1.00 0.00 ATOM 287 O PRO 37 -1.909 5.804 -1.986 1.00 0.00 ATOM 288 C PRO 37 -1.861 4.932 -2.866 1.00 0.00 ATOM 289 N ILE 38 -1.896 5.245 -4.158 1.00 0.00 ATOM 290 CA ILE 38 -2.171 6.609 -4.567 1.00 0.00 ATOM 291 CB ILE 38 -1.600 6.905 -5.966 1.00 0.00 ATOM 292 CG1 ILE 38 -0.086 6.685 -5.982 1.00 0.00 ATOM 293 CG2 ILE 38 -1.881 8.346 -6.363 1.00 0.00 ATOM 294 CD1 ILE 38 0.670 7.568 -5.013 1.00 0.00 ATOM 295 O ILE 38 -4.422 6.176 -5.297 1.00 0.00 ATOM 296 C ILE 38 -3.664 6.887 -4.620 1.00 0.00 ATOM 297 N LYS 39 -4.123 7.917 -3.916 1.00 0.00 ATOM 298 CA LYS 39 -5.541 8.217 -3.909 1.00 0.00 ATOM 299 CB LYS 39 -6.104 8.112 -2.490 1.00 0.00 ATOM 300 CG LYS 39 -6.030 6.715 -1.895 1.00 0.00 ATOM 301 CD LYS 39 -6.640 6.675 -0.504 1.00 0.00 ATOM 302 CE LYS 39 -6.600 5.271 0.077 1.00 0.00 ATOM 303 NZ LYS 39 -7.306 5.190 1.385 1.00 0.00 ATOM 304 O LYS 39 -5.580 10.615 -3.714 1.00 0.00 ATOM 305 C LYS 39 -5.819 9.622 -4.417 1.00 0.00 ATOM 306 N ASP 40 -6.326 9.743 -5.641 1.00 0.00 ATOM 307 CA ASP 40 -6.608 11.059 -6.182 1.00 0.00 ATOM 308 CB ASP 40 -7.614 11.798 -5.297 1.00 0.00 ATOM 309 CG ASP 40 -8.261 12.972 -6.006 1.00 0.00 ATOM 310 OD1 ASP 40 -8.175 13.035 -7.250 1.00 0.00 ATOM 311 OD2 ASP 40 -8.854 13.828 -5.316 1.00 0.00 ATOM 312 O ASP 40 -5.346 13.084 -5.873 1.00 0.00 ATOM 313 C ASP 40 -5.351 11.909 -6.268 1.00 0.00 ATOM 314 N GLY 41 -4.261 11.345 -6.782 1.00 0.00 ATOM 315 CA GLY 41 -3.033 12.108 -6.894 1.00 0.00 ATOM 316 O GLY 41 -1.282 12.888 -5.441 1.00 0.00 ATOM 317 C GLY 41 -2.371 12.304 -5.540 1.00 0.00 ATOM 318 N ILE 42 -3.005 11.828 -4.472 1.00 0.00 ATOM 319 CA ILE 42 -2.414 11.971 -3.155 1.00 0.00 ATOM 320 CB ILE 42 -3.488 12.214 -2.078 1.00 0.00 ATOM 321 CG1 ILE 42 -4.245 13.513 -2.363 1.00 0.00 ATOM 322 CG2 ILE 42 -2.847 12.321 -0.702 1.00 0.00 ATOM 323 CD1 ILE 42 -5.471 13.707 -1.498 1.00 0.00 ATOM 324 O ILE 42 -2.158 9.601 -2.821 1.00 0.00 ATOM 325 C ILE 42 -1.641 10.726 -2.751 1.00 0.00 ATOM 326 N PRO 43 -0.393 10.891 -2.321 1.00 0.00 ATOM 327 CA PRO 43 0.392 9.742 -1.916 1.00 0.00 ATOM 328 CB PRO 43 1.836 10.165 -2.190 1.00 0.00 ATOM 329 CG PRO 43 1.846 11.638 -1.949 1.00 0.00 ATOM 330 CD PRO 43 0.508 12.145 -2.408 1.00 0.00 ATOM 331 O PRO 43 0.182 10.305 0.414 1.00 0.00 ATOM 332 C PRO 43 0.185 9.412 -0.447 1.00 0.00 ATOM 333 N MET 44 0.009 8.134 -0.123 1.00 0.00 ATOM 334 CA MET 44 -0.169 7.756 1.266 1.00 0.00 ATOM 335 CB MET 44 -1.654 7.575 1.586 1.00 0.00 ATOM 336 CG MET 44 -2.480 8.843 1.440 1.00 0.00 ATOM 337 SD MET 44 -4.213 8.598 1.870 1.00 0.00 ATOM 338 CE MET 44 -4.094 8.374 3.643 1.00 0.00 ATOM 339 O MET 44 0.971 5.720 0.681 1.00 0.00 ATOM 340 C MET 44 0.539 6.450 1.585 1.00 0.00 ATOM 341 N MET 45 0.677 6.123 2.867 1.00 0.00 ATOM 342 CA MET 45 1.285 4.859 3.232 1.00 0.00 ATOM 343 CB MET 45 2.714 5.077 3.734 1.00 0.00 ATOM 344 CG MET 45 2.800 5.823 5.055 1.00 0.00 ATOM 345 SD MET 45 4.499 6.188 5.538 1.00 0.00 ATOM 346 CE MET 45 4.238 6.974 7.126 1.00 0.00 ATOM 347 O MET 45 -0.340 4.771 5.004 1.00 0.00 ATOM 348 C MET 45 0.506 4.160 4.334 1.00 0.00 ATOM 349 N LEU 46 0.767 2.874 4.551 1.00 0.00 ATOM 350 CA LEU 46 0.088 2.166 5.618 1.00 0.00 ATOM 351 CB LEU 46 -0.522 0.865 5.094 1.00 0.00 ATOM 352 CG LEU 46 -1.544 1.002 3.964 1.00 0.00 ATOM 353 CD1 LEU 46 -2.015 -0.366 3.496 1.00 0.00 ATOM 354 CD2 LEU 46 -2.759 1.789 4.430 1.00 0.00 ATOM 355 O LEU 46 1.860 0.889 6.629 1.00 0.00 ATOM 356 C LEU 46 1.040 1.812 6.749 1.00 0.00 ATOM 357 N GLU 47 0.959 2.528 7.867 1.00 0.00 ATOM 358 CA GLU 47 1.860 2.255 8.970 1.00 0.00 ATOM 359 CB GLU 47 1.963 3.472 9.892 1.00 0.00 ATOM 360 CG GLU 47 2.604 4.689 9.244 1.00 0.00 ATOM 361 CD GLU 47 2.768 5.845 10.210 1.00 0.00 ATOM 362 OE1 GLU 47 2.276 5.738 11.353 1.00 0.00 ATOM 363 OE2 GLU 47 3.389 6.858 9.825 1.00 0.00 ATOM 364 O GLU 47 0.209 0.682 9.737 1.00 0.00 ATOM 365 C GLU 47 1.382 1.078 9.804 1.00 0.00 ATOM 366 N SER 48 2.268 0.492 10.605 1.00 0.00 ATOM 367 CA SER 48 1.833 -0.510 11.558 1.00 0.00 ATOM 368 CB SER 48 2.933 -0.787 12.584 1.00 0.00 ATOM 369 OG SER 48 4.067 -1.375 11.971 1.00 0.00 ATOM 370 O SER 48 -0.338 -0.851 12.537 1.00 0.00 ATOM 371 C SER 48 0.593 -0.063 12.314 1.00 0.00 ATOM 372 N GLU 49 0.547 1.202 12.724 1.00 0.00 ATOM 373 CA GLU 49 -0.557 1.657 13.547 1.00 0.00 ATOM 374 CB GLU 49 -0.348 3.113 13.967 1.00 0.00 ATOM 375 CG GLU 49 0.770 3.313 14.978 1.00 0.00 ATOM 376 CD GLU 49 1.030 4.776 15.277 1.00 0.00 ATOM 377 OE1 GLU 49 0.388 5.636 14.639 1.00 0.00 ATOM 378 OE2 GLU 49 1.877 5.063 16.150 1.00 0.00 ATOM 379 O GLU 49 -2.910 1.182 13.376 1.00 0.00 ATOM 380 C GLU 49 -1.881 1.572 12.804 1.00 0.00 ATOM 381 N ALA 50 -1.890 1.931 11.524 1.00 0.00 ATOM 382 CA ALA 50 -3.116 1.838 10.754 1.00 0.00 ATOM 383 CB ALA 50 -2.982 2.607 9.449 1.00 0.00 ATOM 384 O ALA 50 -4.633 0.018 10.332 1.00 0.00 ATOM 385 C ALA 50 -3.454 0.395 10.414 1.00 0.00 ATOM 386 N ARG 51 -2.441 -0.442 10.209 1.00 0.00 ATOM 387 CA ARG 51 -2.702 -1.830 9.883 1.00 0.00 ATOM 388 CB ARG 51 -2.980 -1.986 8.387 1.00 0.00 ATOM 389 CG ARG 51 -4.276 -1.339 7.925 1.00 0.00 ATOM 390 CD ARG 51 -4.519 -1.584 6.445 1.00 0.00 ATOM 391 NE ARG 51 -5.779 -0.999 5.993 1.00 0.00 ATOM 392 CZ ARG 51 -6.194 -1.002 4.730 1.00 0.00 ATOM 393 NH1 ARG 51 -7.354 -0.445 4.412 1.00 0.00 ATOM 394 NH2 ARG 51 -5.447 -1.562 3.789 1.00 0.00 ATOM 395 O ARG 51 -0.404 -2.233 10.470 1.00 0.00 ATOM 396 C ARG 51 -1.520 -2.719 10.232 1.00 0.00 ATOM 397 N GLU 52 -1.729 -4.032 10.272 1.00 0.00 ATOM 398 CA GLU 52 -0.621 -4.936 10.510 1.00 0.00 ATOM 399 CB GLU 52 -0.899 -5.814 11.732 1.00 0.00 ATOM 400 CG GLU 52 -0.961 -5.049 13.044 1.00 0.00 ATOM 401 CD GLU 52 -1.179 -5.957 14.238 1.00 0.00 ATOM 402 OE1 GLU 52 -1.299 -7.184 14.037 1.00 0.00 ATOM 403 OE2 GLU 52 -1.231 -5.442 15.375 1.00 0.00 ATOM 404 O GLU 52 -1.329 -6.394 8.732 1.00 0.00 ATOM 405 C GLU 52 -0.382 -5.854 9.322 1.00 0.00 ATOM 406 N LEU 53 0.877 -6.053 8.944 1.00 0.00 ATOM 407 CA LEU 53 1.167 -6.922 7.819 1.00 0.00 ATOM 408 CB LEU 53 2.675 -6.995 7.574 1.00 0.00 ATOM 409 CG LEU 53 3.126 -7.811 6.360 1.00 0.00 ATOM 410 CD1 LEU 53 2.653 -7.161 5.069 1.00 0.00 ATOM 411 CD2 LEU 53 4.643 -7.912 6.313 1.00 0.00 ATOM 412 O LEU 53 0.905 -8.927 9.123 1.00 0.00 ATOM 413 C LEU 53 0.665 -8.336 8.060 1.00 0.00 ATOM 414 N ALA 54 -0.040 -8.911 7.089 1.00 0.00 ATOM 415 CA ALA 54 -0.562 -10.252 7.269 1.00 0.00 ATOM 416 CB ALA 54 -1.827 -10.443 6.447 1.00 0.00 ATOM 417 O ALA 54 1.479 -10.990 6.230 1.00 0.00 ATOM 418 C ALA 54 0.442 -11.306 6.833 1.00 0.00 ATOM 419 N PRO 55 0.165 -12.575 7.121 1.00 0.00 ATOM 420 CA PRO 55 1.028 -13.634 6.636 1.00 0.00 ATOM 421 CB PRO 55 0.347 -14.916 7.118 1.00 0.00 ATOM 422 CG PRO 55 -0.393 -14.507 8.347 1.00 0.00 ATOM 423 CD PRO 55 -0.932 -13.132 8.071 1.00 0.00 ATOM 424 O PRO 55 2.218 -13.885 4.560 1.00 0.00 ATOM 425 C PRO 55 1.147 -13.610 5.121 1.00 0.00 ATOM 426 N GLU 56 0.062 -13.283 4.425 1.00 0.00 ATOM 427 CA GLU 56 0.115 -13.242 2.977 1.00 0.00 ATOM 428 CB GLU 56 -1.270 -13.507 2.382 1.00 0.00 ATOM 429 CG GLU 56 -1.795 -14.911 2.635 1.00 0.00 ATOM 430 CD GLU 56 -3.183 -15.125 2.065 1.00 0.00 ATOM 431 OE1 GLU 56 -3.717 -14.188 1.435 1.00 0.00 ATOM 432 OE2 GLU 56 -3.737 -16.229 2.250 1.00 0.00 ATOM 433 O GLU 56 0.572 -11.616 1.263 1.00 0.00 ATOM 434 C GLU 56 0.587 -11.888 2.473 1.00 0.00 ATOM 435 N GLU 57 1.014 -11.011 3.376 1.00 0.00 ATOM 436 CA GLU 57 1.482 -9.705 2.955 1.00 0.00 ATOM 437 CB GLU 57 2.211 -9.804 1.614 1.00 0.00 ATOM 438 CG GLU 57 3.381 -10.774 1.613 1.00 0.00 ATOM 439 CD GLU 57 4.504 -10.333 2.531 1.00 0.00 ATOM 440 OE1 GLU 57 4.527 -9.144 2.913 1.00 0.00 ATOM 441 OE2 GLU 57 5.362 -11.176 2.868 1.00 0.00 ATOM 442 O GLU 57 0.518 -7.595 2.312 1.00 0.00 ATOM 443 C GLU 57 0.331 -8.725 2.789 1.00 0.00 ATOM 444 N GLU 58 -0.877 -9.126 3.173 1.00 0.00 ATOM 445 CA GLU 58 -2.014 -8.236 3.035 1.00 0.00 ATOM 446 CB GLU 58 -3.277 -9.029 2.694 1.00 0.00 ATOM 447 CG GLU 58 -3.208 -9.765 1.366 1.00 0.00 ATOM 448 CD GLU 58 -4.480 -10.531 1.057 1.00 0.00 ATOM 449 OE1 GLU 58 -5.402 -10.514 1.899 1.00 0.00 ATOM 450 OE2 GLU 58 -4.554 -11.148 -0.026 1.00 0.00 ATOM 451 O GLU 58 -2.163 -8.009 5.426 1.00 0.00 ATOM 452 C GLU 58 -2.280 -7.465 4.318 1.00 0.00 ATOM 453 N VAL 59 -2.643 -6.191 4.204 1.00 0.00 ATOM 454 CA VAL 59 -2.906 -5.403 5.393 1.00 0.00 ATOM 455 CB VAL 59 -2.862 -3.894 5.091 1.00 0.00 ATOM 456 CG1 VAL 59 -3.210 -3.091 6.335 1.00 0.00 ATOM 457 CG2 VAL 59 -1.472 -3.483 4.628 1.00 0.00 ATOM 458 O VAL 59 -5.303 -5.581 5.290 1.00 0.00 ATOM 459 C VAL 59 -4.276 -5.708 5.974 1.00 0.00 ATOM 460 N LYS 60 -4.330 -6.113 7.240 1.00 0.00 ATOM 461 CA LYS 60 -5.612 -6.382 7.861 1.00 0.00 ATOM 462 CB LYS 60 -5.575 -7.716 8.610 1.00 0.00 ATOM 463 CG LYS 60 -5.408 -8.929 7.709 1.00 0.00 ATOM 464 CD LYS 60 -5.392 -10.217 8.515 1.00 0.00 ATOM 465 CE LYS 60 -5.177 -11.426 7.620 1.00 0.00 ATOM 466 NZ LYS 60 -5.138 -12.695 8.399 1.00 0.00 ATOM 467 O LYS 60 -5.221 -4.982 9.779 1.00 0.00 ATOM 468 C LYS 60 -5.989 -5.298 8.858 1.00 0.00 ATOM 469 N LEU 61 -7.169 -4.704 8.703 1.00 0.00 ATOM 470 CA LEU 61 -7.583 -3.662 9.621 1.00 0.00 ATOM 471 CB LEU 61 -7.944 -2.387 8.857 1.00 0.00 ATOM 472 CG LEU 61 -8.462 -1.217 9.696 1.00 0.00 ATOM 473 CD1 LEU 61 -7.369 -0.686 10.610 1.00 0.00 ATOM 474 CD2 LEU 61 -8.929 -0.079 8.801 1.00 0.00 ATOM 475 O LEU 61 -9.800 -4.562 9.878 1.00 0.00 ATOM 476 C LEU 61 -8.800 -4.080 10.431 1.00 0.00 ATOM 477 N GLU 62 -8.749 -3.908 11.749 1.00 0.00 ATOM 478 CA GLU 62 -9.893 -4.257 12.569 1.00 0.00 ATOM 479 CB GLU 62 -9.463 -4.483 14.020 1.00 0.00 ATOM 480 CG GLU 62 -8.503 -5.646 14.209 1.00 0.00 ATOM 481 CD GLU 62 -8.115 -5.851 15.660 1.00 0.00 ATOM 482 OE1 GLU 62 -8.518 -5.024 16.505 1.00 0.00 ATOM 483 OE2 GLU 62 -7.408 -6.838 15.952 1.00 0.00 ATOM 484 O GLU 62 -10.706 -2.052 12.054 1.00 0.00 ATOM 485 C GLU 62 -10.944 -3.159 12.560 1.00 0.00 ATOM 486 N HIS 63 -12.122 -3.431 13.113 1.00 0.00 ATOM 487 CA HIS 63 -13.171 -2.430 13.116 1.00 0.00 ATOM 488 CB HIS 63 -14.470 -3.017 13.671 1.00 0.00 ATOM 489 CG HIS 63 -15.615 -2.053 13.677 1.00 0.00 ATOM 490 CD2 HIS 63 -16.374 -1.347 14.700 1.00 0.00 ATOM 491 ND1 HIS 63 -16.225 -1.614 12.521 1.00 0.00 ATOM 492 CE1 HIS 63 -17.213 -0.761 12.844 1.00 0.00 ATOM 493 NE2 HIS 63 -17.308 -0.596 14.149 1.00 0.00 ATOM 494 O HIS 63 -13.071 -0.077 13.610 1.00 0.00 ATOM 495 C HIS 63 -12.798 -1.231 13.973 1.00 0.00 ATOM 496 N HIS 64 -12.172 -1.469 15.122 1.00 0.00 ATOM 497 CA HIS 64 -11.839 -0.370 16.007 1.00 0.00 ATOM 498 CB HIS 64 -11.267 -0.897 17.325 1.00 0.00 ATOM 499 CG HIS 64 -10.928 0.178 18.309 1.00 0.00 ATOM 500 CD2 HIS 64 -9.699 0.730 18.862 1.00 0.00 ATOM 501 ND1 HIS 64 -11.888 0.933 18.947 1.00 0.00 ATOM 502 CE1 HIS 64 -11.282 1.811 19.766 1.00 0.00 ATOM 503 NE2 HIS 64 -9.969 1.695 19.720 1.00 0.00 ATOM 504 O HIS 64 -10.876 1.784 15.533 1.00 0.00 ATOM 505 C HIS 64 -10.804 0.554 15.387 1.00 0.00 ATOM 506 N HIS 65 -9.822 -0.006 14.686 1.00 0.00 ATOM 507 CA HIS 65 -8.790 0.823 14.094 1.00 0.00 ATOM 508 CB HIS 65 -7.714 -0.046 13.440 1.00 0.00 ATOM 509 CG HIS 65 -6.840 -0.765 14.420 1.00 0.00 ATOM 510 CD2 HIS 65 -6.579 -2.159 14.750 1.00 0.00 ATOM 511 ND1 HIS 65 -6.014 -0.106 15.304 1.00 0.00 ATOM 512 CE1 HIS 65 -5.359 -1.013 16.050 1.00 0.00 ATOM 513 NE2 HIS 65 -5.693 -2.246 15.723 1.00 0.00 ATOM 514 O HIS 65 -9.031 2.941 12.979 1.00 0.00 ATOM 515 C HIS 65 -9.355 1.745 13.027 1.00 0.00 ATOM 516 N HIS 66 -10.209 1.221 12.151 1.00 0.00 ATOM 517 CA HIS 66 -10.793 2.055 11.120 1.00 0.00 ATOM 518 CB HIS 66 -10.661 1.386 9.751 1.00 0.00 ATOM 519 CG HIS 66 -11.270 2.173 8.632 1.00 0.00 ATOM 520 CD2 HIS 66 -12.448 2.037 7.788 1.00 0.00 ATOM 521 ND1 HIS 66 -10.713 3.339 8.154 1.00 0.00 ATOM 522 CE1 HIS 66 -11.481 3.813 7.156 1.00 0.00 ATOM 523 NE2 HIS 66 -12.523 3.037 6.931 1.00 0.00 ATOM 524 O HIS 66 -13.038 1.376 11.655 1.00 0.00 ATOM 525 C HIS 66 -12.270 2.308 11.374 1.00 0.00 ATOM 526 N HIS 67 -12.703 3.562 11.284 1.00 0.00 ATOM 527 CA HIS 67 -14.104 3.863 11.507 1.00 0.00 ATOM 528 CB HIS 67 -14.258 4.914 12.608 1.00 0.00 ATOM 529 CG HIS 67 -13.706 4.487 13.932 1.00 0.00 ATOM 530 CD2 HIS 67 -12.449 4.674 14.643 1.00 0.00 ATOM 531 ND1 HIS 67 -14.425 3.725 14.828 1.00 0.00 ATOM 532 CE1 HIS 67 -13.670 3.503 15.919 1.00 0.00 ATOM 533 NE2 HIS 67 -12.483 4.069 15.814 1.00 0.00 ATOM 534 O HIS 67 -14.334 5.419 9.687 1.00 0.00 ATOM 535 C HIS 67 -14.767 4.404 10.251 1.00 0.00 ATOM 536 N HIS 68 -15.826 3.747 9.785 1.00 0.00 ATOM 537 CA HIS 68 -16.529 4.243 8.618 1.00 0.00 ATOM 538 CB HIS 68 -15.977 3.597 7.345 1.00 0.00 ATOM 539 CG HIS 68 -16.542 4.170 6.083 1.00 0.00 ATOM 540 CD2 HIS 68 -17.254 3.639 4.929 1.00 0.00 ATOM 541 ND1 HIS 68 -16.460 5.510 5.772 1.00 0.00 ATOM 542 CE1 HIS 68 -17.053 5.721 4.583 1.00 0.00 ATOM 543 NE2 HIS 68 -17.531 4.603 4.072 1.00 0.00 ATOM 544 O HIS 68 -14.105 18.093 8.020 1.00 0.00 ATOM 545 C HIS 68 -18.017 3.937 8.689 1.00 0.00 ENDMDL