HEADER DOCKING RESULT FROM LIGIN PROGRAM COMPND DIHYDROFOLATE REDUCTASE (E.C.1.5.1.3) COMPLEX WITH NADPH AND COMPND 2 METHOTREXATE FROM 3DFR PDB FILE + LIGAND IN POSITION COMPND WITH BEST COMPLEMENTARITY ATOM 1 N THR 1 -.313 18.726 33.523 1.00 21.00 3DFR 180 ATOM 2 CA THR 1 .244 19.616 32.506 1.00 21.40 3DFR 181 ATOM 3 C THR 1 -.578 19.597 31.226 1.00 18.90 3DFR 182 ATOM 4 O THR 1 -.895 18.552 30.694 1.00 17.80 3DFR 183 ATOM 5 CB THR 1 1.466 18.956 32.113 1.00 21.50 3DFR 184 ATOM 6 OG1 THR 1 2.321 18.956 33.299 1.00 26.50 3DFR 185 ATOM 7 CG2 THR 1 2.512 19.659 31.133 1.00 14.90 3DFR 186 ATOM 8 N ALA 2 -1.002 20.842 30.834 1.00 13.20 3DFR 187 ATOM 9 CA ALA 2 -1.868 21.010 29.648 1.00 13.50 3DFR 188 ATOM 10 C ALA 2 -.999 21.570 28.416 1.00 11.60 3DFR 189 ATOM 11 O ALA 2 -.040 22.323 28.649 1.00 12.60 3DFR 190 ATOM 12 CB ALA 2 -3.015 21.925 29.975 1.00 9.90 3DFR 191 ATOM 13 N PHE 3 -1.387 21.234 27.174 1.00 13.20 3DFR 192 ATOM 14 CA PHE 3 -.891 21.968 26.025 1.00 12.00 3DFR 193 ATOM 15 C PHE 3 -2.084 22.827 25.567 1.00 13.00 3DFR 194 ATOM 16 O PHE 3 -3.230 22.348 25.549 1.00 13.20 3DFR 195 ATOM 17 CB PHE 3 -.733 20.923 24.895 1.00 10.50 3DFR 196 ATOM 18 CG PHE 3 .600 20.257 24.923 1.00 11.30 3DFR 197 ATOM 19 CD1 PHE 3 1.689 20.300 25.950 1.00 9.50 3DFR 198 ATOM 20 CD2 PHE 3 1.099 19.516 23.952 1.00 11.90 3DFR 199 ATOM 21 CE1 PHE 3 2.874 19.603 25.698 1.00 10.10 3DFR 200 ATOM 22 CE2 PHE 3 2.181 18.800 23.616 1.00 15.90 3DFR 201 ATOM 23 CZ PHE 3 3.234 18.832 24.550 1.00 11.50 3DFR 202 ATOM 24 N LEU 4 -1.761 24.009 25.222 1.00 10.90 3DFR 203 ATOM 25 CA LEU 4 -2.806 24.912 24.764 1.00 11.50 3DFR 204 ATOM 26 C LEU 4 -2.386 25.478 23.401 1.00 8.00 3DFR 205 ATOM 27 O LEU 4 -1.311 26.082 23.270 1.00 11.00 3DFR 206 ATOM 28 CB LEU 4 -2.813 26.094 25.810 1.00 9.20 3DFR 207 ATOM 29 CG LEU 4 -3.747 27.351 25.474 1.00 8.00 3DFR 208 ATOM 30 CD1 LEU 4 -5.213 26.978 25.381 1.00 11.00 3DFR 209 ATOM 31 CD2 LEU 4 -3.582 28.372 26.688 1.00 10.70 3DFR 210 ATOM 32 N TRP 5 -3.176 25.242 22.430 1.00 10.60 3DFR 211 ATOM 33 CA TRP 5 -2.856 25.746 21.057 1.00 7.80 3DFR 212 ATOM 34 C TRP 5 -4.189 25.939 20.245 1.00 10.30 3DFR 213 ATOM 35 O TRP 5 -5.192 25.347 20.441 1.00 11.40 3DFR 214 ATOM 36 CB TRP 5 -1.761 24.843 20.348 1.00 8.00 3DFR 215 ATOM 37 CG TRP 5 -2.289 23.605 19.741 1.00 12.00 3DFR 216 ATOM 38 CD1 TRP 5 -2.587 23.437 18.415 1.00 8.90 3DFR 217 ATOM 39 CD2 TRP 5 -2.695 22.366 20.348 1.00 7.80 3DFR 218 ATOM 40 NE1 TRP 5 -2.986 22.124 18.088 1.00 8.60 3DFR 219 ATOM 41 CE2 TRP 5 -3.054 21.483 19.255 1.00 8.20 3DFR 220 ATOM 42 CE3 TRP 5 -2.634 21.937 21.655 1.00 12.50 3DFR 221 ATOM 43 CZ2 TRP 5 -3.453 20.157 19.516 1.00 11.00 3DFR 222 ATOM 44 CZ3 TRP 5 -3.065 20.655 21.814 1.00 10.30 3DFR 223 ATOM 45 CH2 TRP 5 -3.500 19.665 20.842 1.00 8.80 3DFR 224 ATOM 46 N ALA 6 -3.880 26.710 19.134 1.00 9.00 3DFR 225 ATOM 47 CA ALA 6 -5.005 26.891 18.069 1.00 8.30 3DFR 226 ATOM 48 C ALA 6 -4.383 26.399 16.771 1.00 11.30 3DFR 227 ATOM 49 O ALA 6 -3.212 26.772 16.510 1.00 13.50 3DFR 228 ATOM 50 CB ALA 6 -5.328 28.397 17.994 1.00 6.10 3DFR 229 ATOM 51 N GLN 7 -5.163 25.683 15.949 1.00 12.60 3DFR 230 ATOM 52 CA GLN 7 -4.613 25.142 14.679 1.00 6.90 3DFR 231 ATOM 53 C GLN 7 -5.846 25.260 13.718 1.00 12.10 3DFR 232 ATOM 54 O GLN 7 -6.974 25.335 13.988 1.00 14.90 3DFR 233 ATOM 55 CB GLN 7 -4.168 23.673 14.847 1.00 6.50 3DFR 234 ATOM 56 CG GLN 7 -5.357 22.734 15.193 1.00 7.20 3DFR 235 ATOM 57 CD GLN 7 -4.901 21.308 15.174 1.00 15.90 3DFR 236 ATOM 58 OE1 GLN 7 -3.880 20.985 15.650 1.00 13.40 3DFR 237 ATOM 59 NE2 GLN 7 -5.519 20.562 14.324 1.00 16.10 3DFR 238 ATOM 60 N ASN 8 -5.404 25.354 12.457 1.00 12.90 3DFR 239 ATOM 61 CA ASN 8 -6.392 25.310 11.234 1.00 12.10 3DFR 240 ATOM 62 C ASN 8 -6.643 23.792 11.224 1.00 12.90 3DFR 241 ATOM 63 O ASN 8 -6.148 22.846 11.803 1.00 15.50 3DFR 242 ATOM 64 CB ASN 8 -5.770 26.100 10.066 1.00 14.10 3DFR 243 ATOM 65 CG ASN 8 -4.800 25.304 9.217 1.00 13.40 3DFR 244 ATOM 66 OD1 ASN 8 -4.466 25.833 8.152 1.00 17.40 3DFR 245 ATOM 67 ND2 ASN 8 -4.268 24.096 9.403 1.00 9.40 3DFR 246 ATOM 68 N ARG 9 -7.491 23.580 10.104 1.00 12.40 3DFR 247 ATOM 69 CA ARG 9 -7.948 22.217 9.777 1.00 16.00 3DFR 248 ATOM 70 C ARG 9 -6.981 21.203 9.459 1.00 17.60 3DFR 249 ATOM 71 O ARG 9 -7.154 20.045 9.590 1.00 18.20 3DFR 250 ATOM 72 CB ARG 9 -9.177 22.304 8.712 1.00 18.60 3DFR 251 ATOM 73 CG ARG 9 -8.648 22.373 7.358 1.00 23.00 3DFR 252 ATOM 74 CD ARG 9 -9.834 21.526 6.518 1.00 48.50 3DFR 253 ATOM 75 NE ARG 9 -9.830 22.491 5.463 1.00 35.60 3DFR 254 ATOM 76 CZ ARG 9 -10.150 23.319 4.398 1.00 56.50 3DFR 255 ATOM 77 NH1 ARG 9 -10.969 24.439 4.669 1.00 49.30 3DFR 256 ATOM 78 NH2 ARG 9 -9.676 23.144 3.072 1.00 59.00 3DFR 257 ATOM 79 N ASN 10 -5.770 21.582 8.974 1.00 13.60 3DFR 258 ATOM 80 CA ASN 10 -4.624 20.680 8.600 1.00 16.50 3DFR 259 ATOM 81 C ASN 10 -3.625 20.705 9.758 1.00 17.50 3DFR 260 ATOM 82 O ASN 10 -2.576 20.194 9.487 1.00 19.80 3DFR 261 ATOM 83 CB ASN 10 -4.042 21.153 7.209 1.00 16.10 3DFR 262 ATOM 84 CG ASN 10 -5.278 20.891 6.023 1.00 18.60 3DFR 263 ATOM 85 OD1 ASN 10 -5.116 22.217 5.425 1.00 42.30 3DFR 264 ATOM 86 ND2 ASN 10 -5.738 19.560 6.088 1.00 48.80 3DFR 265 ATOM 87 N GLY 11 -3.805 21.427 10.879 1.00 14.30 3DFR 266 ATOM 88 CA GLY 11 -2.774 21.408 11.925 1.00 12.30 3DFR 267 ATOM 89 C GLY 11 -1.775 22.566 12.027 1.00 14.20 3DFR 268 ATOM 90 O GLY 11 -.819 22.603 12.793 1.00 15.90 3DFR 269 ATOM 91 N LEU 12 -2.041 23.499 10.944 1.00 14.30 3DFR 270 ATOM 92 CA LEU 12 -1.096 24.576 10.916 1.00 13.00 3DFR 271 ATOM 93 C LEU 12 -1.121 25.466 12.130 1.00 12.10 3DFR 272 ATOM 94 O LEU 12 -2.228 25.827 12.569 1.00 10.90 3DFR 273 ATOM 95 CB LEU 12 -1.337 25.466 9.693 1.00 15.10 3DFR 274 ATOM 96 CG LEU 12 -.384 26.704 9.403 1.00 17.80 3DFR 275 ATOM 97 CD1 LEU 12 .794 25.970 8.740 1.00 15.20 3DFR 276 ATOM 98 CD2 LEU 12 -1.107 27.669 8.544 1.00 17.80 3DFR 277 ATOM 99 N ILE 13 -.057 25.926 12.812 1.00 12.30 3DFR 278 ATOM 100 CA ILE 13 -.075 26.828 13.932 1.00 7.60 3DFR 279 ATOM 101 C ILE 13 .636 28.210 13.830 1.00 9.80 3DFR 280 ATOM 102 O ILE 13 .492 29.193 14.530 1.00 13.90 3DFR 281 ATOM 103 CB ILE 13 .456 26.119 15.286 1.00 10.30 3DFR 282 ATOM 104 CG1 ILE 13 1.965 25.845 15.156 1.00 11.80 3DFR 283 ATOM 105 CG2 ILE 13 -.453 24.831 15.529 1.00 9.50 3DFR 284 ATOM 106 CD1 ILE 13 2.537 25.428 16.547 1.00 14.30 3DFR 285 ATOM 107 N GLY 14 1.541 28.210 12.700 1.00 12.80 3DFR 286 ATOM 108 CA GLY 14 2.317 29.492 12.662 1.00 9.90 3DFR 287 ATOM 109 C GLY 14 2.774 29.859 11.140 1.00 8.50 3DFR 288 ATOM 110 O GLY 14 2.777 28.969 10.309 1.00 12.90 3DFR 289 ATOM 111 N LYS 15 3.223 31.098 10.981 1.00 11.90 3DFR 290 ATOM 112 CA LYS 15 3.650 31.539 9.712 1.00 17.60 3DFR 291 ATOM 113 C LYS 15 4.628 32.660 10.001 1.00 14.40 3DFR 292 ATOM 114 O LYS 15 4.330 33.711 10.701 1.00 14.80 3DFR 293 ATOM 115 CB LYS 15 2.619 32.255 8.862 1.00 18.60 3DFR 294 ATOM 116 CG LYS 15 3.004 32.622 7.349 1.00 30.80 3DFR 295 ATOM 117 CD LYS 15 1.901 33.388 6.621 1.00 36.10 3DFR 296 ATOM 118 CE LYS 15 2.023 33.786 5.173 1.00 65.10 3DFR 297 ATOM 119 NZ LYS 15 2.001 32.678 4.090 1.00110.40 3DFR 298 ATOM 120 N ASP 16 5.907 32.573 9.618 1.00 18.30 3DFR 299 ATOM 121 CA ASP 16 6.960 33.649 9.599 1.00 28.80 3DFR 300 ATOM 122 C ASP 16 7.136 34.128 10.972 1.00 26.10 3DFR 301 ATOM 123 O ASP 16 7.330 35.336 11.122 1.00 24.80 3DFR 302 ATOM 124 CB ASP 16 6.701 34.819 8.414 1.00 32.90 3DFR 303 ATOM 125 CG ASP 16 6.690 34.365 6.947 1.00 45.50 3DFR 304 ATOM 126 OD1 ASP 16 7.621 33.662 6.312 1.00107.60 3DFR 305 ATOM 127 OD2 ASP 16 5.731 34.856 6.154 1.00 60.20 3DFR 306 ATOM 128 N GLY 17 7.042 33.319 12.037 1.00 18.90 3DFR 307 ATOM 129 CA GLY 17 7.168 33.811 13.521 1.00 14.30 3DFR 308 ATOM 130 C GLY 17 5.964 34.427 14.091 1.00 15.00 3DFR 309 ATOM 131 O GLY 17 6.105 34.794 15.268 1.00 20.80 3DFR 310 ATOM 132 N HIS 18 4.793 34.352 13.409 1.00 18.10 3DFR 311 ATOM 133 CA HIS 18 3.618 35.031 13.932 1.00 14.10 3DFR 312 ATOM 134 C HIS 18 2.440 34.010 13.652 1.00 11.30 3DFR 313 ATOM 135 O HIS 18 2.680 32.834 13.251 1.00 12.60 3DFR 314 ATOM 136 CB HIS 18 3.324 36.462 13.223 1.00 20.00 3DFR 315 ATOM 137 CG HIS 18 3.352 36.599 11.710 1.00 55.30 3DFR 316 ATOM 138 ND1 HIS 18 2.188 36.275 10.785 1.00 44.50 3DFR 317 ATOM 139 CD2 HIS 18 4.344 37.022 10.851 1.00 39.90 3DFR 318 ATOM 140 CE1 HIS 18 2.637 36.406 9.413 1.00 58.50 3DFR 319 ATOM 141 NE2 HIS 18 3.880 36.904 9.310 1.00 61.90 3DFR 320 ATOM 142 N LEU 19 1.211 34.284 13.988 1.00 14.40 3DFR 321 ATOM 143 CA LEU 19 .036 33.531 13.820 1.00 16.50 3DFR 322 ATOM 144 C LEU 19 -.291 33.836 12.326 1.00 19.20 3DFR 323 ATOM 145 O LEU 19 -.115 34.614 11.570 1.00 21.90 3DFR 324 ATOM 146 CB LEU 19 -1.161 33.724 14.679 1.00 15.20 3DFR 325 ATOM 147 CG LEU 19 -.697 33.543 16.164 1.00 20.10 3DFR 326 ATOM 148 CD1 LEU 19 -1.904 34.128 16.855 1.00 28.40 3DFR 327 ATOM 149 CD2 LEU 19 -.625 32.174 16.547 1.00 14.50 3DFR 328 ATOM 150 N PRO 20 -.923 32.479 11.906 1.00 14.70 3DFR 329 ATOM 151 CA PRO 20 -1.293 32.685 10.375 1.00 11.40 3DFR 330 ATOM 152 C PRO 20 -2.652 33.369 10.225 1.00 17.90 3DFR 331 ATOM 153 O PRO 20 -3.212 33.506 9.067 1.00 21.40 3DFR 332 ATOM 154 CB PRO 20 -1.699 31.259 9.814 1.00 8.80 3DFR 333 ATOM 155 CG PRO 20 -.870 30.394 10.673 1.00 12.90 3DFR 334 ATOM 156 CD PRO 20 -1.179 30.855 12.102 1.00 15.40 3DFR 335 ATOM 157 N TRP 21 -3.431 33.799 11.224 1.00 13.30 3DFR 336 ATOM 158 CA TRP 21 -4.782 34.334 11.271 1.00 14.00 3DFR 337 ATOM 159 C TRP 21 -4.674 35.417 12.382 1.00 15.30 3DFR 338 ATOM 160 O TRP 21 -3.848 35.479 13.297 1.00 13.40 3DFR 339 ATOM 161 CB TRP 21 -5.900 33.319 11.458 1.00 10.50 3DFR 340 ATOM 162 CG TRP 21 -5.627 32.635 12.830 1.00 14.60 3DFR 341 ATOM 163 CD1 TRP 21 -5.688 32.890 14.194 1.00 14.20 3DFR 342 ATOM 164 CD2 TRP 21 -4.976 31.272 12.718 1.00 14.50 3DFR 343 ATOM 165 NE1 TRP 21 -5.124 31.900 14.903 1.00 14.10 3DFR 344 ATOM 166 CE2 TRP 21 -4.728 30.855 14.100 1.00 15.10 3DFR 345 ATOM 167 CE3 TRP 21 -4.703 30.313 11.635 1.00 13.40 3DFR 346 ATOM 168 CZ2 TRP 21 -4.067 29.685 14.483 1.00 12.20 3DFR 347 ATOM 169 CZ3 TRP 21 -4.161 29.075 12.055 1.00 16.30 3DFR 348 ATOM 170 CH2 TRP 21 -3.888 28.789 13.409 1.00 11.60 3DFR 349 ATOM 171 N HIS 22 -5.849 36.058 12.606 1.00 16.10 3DFR 350 ATOM 172 CA HIS 22 -6.112 37.022 13.680 1.00 14.00 3DFR 351 ATOM 173 C HIS 22 -7.621 36.748 13.970 1.00 14.60 3DFR 352 ATOM 174 O HIS 22 -8.612 36.798 13.400 1.00 18.00 3DFR 353 ATOM 175 CB HIS 22 -5.946 38.541 13.195 1.00 19.10 3DFR 354 ATOM 176 CG HIS 22 -6.202 39.356 14.418 1.00 19.40 3DFR 355 ATOM 177 ND1 HIS 22 -5.612 39.356 15.604 1.00 23.80 3DFR 356 ATOM 178 CD2 HIS 22 -7.247 40.383 14.539 1.00 24.40 3DFR 357 ATOM 179 CE1 HIS 22 -6.130 40.289 16.482 1.00 31.90 3DFR 358 ATOM 180 NE2 HIS 22 -7.071 40.961 15.707 1.00 27.90 3DFR 359 ATOM 181 N LEU 23 -7.606 36.213 15.249 1.00 13.10 3DFR 360 ATOM 182 CA LEU 23 -8.828 35.591 15.912 1.00 15.60 3DFR 361 ATOM 183 C LEU 23 -8.878 35.927 17.518 1.00 15.90 3DFR 362 ATOM 184 O LEU 23 -8.760 35.336 18.424 1.00 20.00 3DFR 363 ATOM 185 CB LEU 23 -9.076 34.054 15.763 1.00 17.60 3DFR 364 ATOM 186 CG LEU 23 -10.290 33.481 16.201 1.00 15.30 3DFR 365 ATOM 187 CD1 LEU 23 -11.454 34.128 15.482 1.00 15.30 3DFR 366 ATOM 188 CD2 LEU 23 -10.021 31.932 16.071 1.00 13.00 3DFR 367 ATOM 189 N PRO 24 -9.536 37.277 17.425 1.00 15.00 3DFR 368 ATOM 190 CA PRO 24 -9.662 37.806 18.825 1.00 11.70 3DFR 369 ATOM 191 C PRO 24 -10.416 36.873 19.713 1.00 16.60 3DFR 370 ATOM 192 O PRO 24 -9.938 36.941 20.889 1.00 13.10 3DFR 371 ATOM 193 CB PRO 24 -10.571 39.182 18.751 1.00 14.80 3DFR 372 ATOM 194 CG PRO 24 -9.795 39.767 17.621 1.00 28.50 3DFR 373 ATOM 195 CD PRO 24 -10.154 38.696 16.547 1.00 22.50 3DFR 374 ATOM 196 N ASP 25 -11.469 36.207 19.554 1.00 12.90 3DFR 375 ATOM 197 CA ASP 25 -12.112 35.429 20.478 1.00 18.00 3DFR 376 ATOM 198 C ASP 25 -11.167 34.452 21.281 1.00 16.60 3DFR 377 ATOM 199 O ASP 25 -11.282 33.991 22.308 1.00 16.80 3DFR 378 ATOM 200 CB ASP 25 -13.140 34.670 19.638 1.00 15.40 3DFR 379 ATOM 201 CG ASP 25 -14.113 34.066 20.441 1.00 20.00 3DFR 380 ATOM 202 OD1 ASP 25 -14.800 34.483 21.403 1.00 23.10 3DFR 381 ATOM 203 OD2 ASP 25 -14.246 32.765 20.394 1.00 16.80 3DFR 382 ATOM 204 N ASP 26 -10.355 33.879 20.301 1.00 14.80 3DFR 383 ATOM 205 CA ASP 26 -9.367 32.815 20.758 1.00 10.40 3DFR 384 ATOM 206 C ASP 26 -8.357 33.369 21.673 1.00 11.10 3DFR 385 ATOM 207 O ASP 26 -7.671 32.865 22.645 1.00 12.00 3DFR 386 ATOM 208 CB ASP 26 -8.821 32.068 19.488 1.00 10.90 3DFR 387 ATOM 209 CG ASP 26 -7.599 31.185 19.862 1.00 13.00 3DFR 388 ATOM 210 OD1 ASP 26 -6.410 31.465 19.703 1.00 10.10 3DFR 389 ATOM 211 OD2 ASP 26 -7.876 30.071 20.553 1.00 13.30 3DFR 390 ATOM 212 N LEU 27 -7.869 34.626 21.421 1.00 13.60 3DFR 391 ATOM 213 CA LEU 27 -6.927 35.336 22.299 1.00 12.70 3DFR 392 ATOM 214 C LEU 27 -7.696 35.609 23.634 1.00 11.80 3DFR 393 ATOM 215 O LEU 27 -6.870 35.485 24.550 1.00 16.60 3DFR 394 ATOM 216 CB LEU 27 -6.414 36.674 21.655 1.00 15.90 3DFR 395 ATOM 217 CG LEU 27 -5.576 36.605 20.450 1.00 21.10 3DFR 396 ATOM 218 CD1 LEU 27 -5.178 38.005 19.806 1.00 19.70 3DFR 397 ATOM 219 CD2 LEU 27 -4.355 35.746 20.413 1.00 14.30 3DFR 398 ATOM 220 N HIS 28 -8.997 35.896 23.691 1.00 12.20 3DFR 399 ATOM 221 CA HIS 28 -9.514 36.194 25.063 1.00 15.20 3DFR 400 ATOM 222 C HIS 28 -9.597 34.744 25.549 1.00 17.80 3DFR 401 ATOM 223 O HIS 28 -9.424 34.657 26.791 1.00 13.60 3DFR 402 ATOM 224 CB HIS 28 -11.002 36.680 24.886 1.00 17.00 3DFR 403 ATOM 225 CG HIS 28 -11.031 37.974 24.036 1.00 25.80 3DFR 404 ATOM 226 ND1 HIS 28 -10.179 38.964 23.728 1.00 33.00 3DFR 405 ATOM 227 CD2 HIS 28 -12.249 38.217 23.168 1.00 18.70 3DFR 406 ATOM 228 CE1 HIS 28 -10.689 39.798 22.813 1.00 23.80 3DFR 407 ATOM 229 NE2 HIS 28 -11.929 39.381 22.449 1.00 34.30 3DFR 408 ATOM 230 N TYR 29 -9.812 33.612 24.942 1.00 15.90 3DFR 409 ATOM 231 CA TYR 29 -9.863 32.292 25.577 1.00 17.50 3DFR 410 ATOM 232 C TYR 29 -8.444 31.963 26.137 1.00 16.20 3DFR 411 ATOM 233 O TYR 29 -8.311 31.347 27.164 1.00 14.70 3DFR 412 ATOM 234 CB TYR 29 -10.240 31.328 24.466 1.00 14.50 3DFR 413 ATOM 235 CG TYR 29 -10.190 29.921 24.942 1.00 14.50 3DFR 414 ATOM 236 CD1 TYR 29 -11.275 29.361 25.661 1.00 14.90 3DFR 415 ATOM 237 CD2 TYR 29 -9.302 28.932 24.643 1.00 11.20 3DFR 416 ATOM 238 CE1 TYR 29 -11.465 27.998 26.044 1.00 18.90 3DFR 417 ATOM 239 CE2 TYR 29 -9.306 27.569 24.932 1.00 13.00 3DFR 418 ATOM 240 CZ TYR 29 -10.430 27.152 25.764 1.00 15.90 3DFR 419 ATOM 241 OH TYR 29 -10.657 25.814 26.118 1.00 18.30 3DFR 420 ATOM 242 N PHE 30 -7.369 32.243 25.297 1.00 16.60 3DFR 421 ATOM 243 CA PHE 30 -5.961 32.056 25.773 1.00 16.70 3DFR 422 ATOM 244 C PHE 30 -5.698 32.660 27.192 1.00 11.60 3DFR 423 ATOM 245 O PHE 30 -5.012 32.143 27.939 1.00 15.50 3DFR 424 ATOM 246 CB PHE 30 -4.994 32.647 24.587 1.00 15.40 3DFR 425 ATOM 247 CG PHE 30 -3.589 32.517 24.923 1.00 14.00 3DFR 426 ATOM 248 CD1 PHE 30 -3.029 33.649 25.558 1.00 12.00 3DFR 427 ATOM 249 CD2 PHE 30 -2.874 31.403 24.783 1.00 11.80 3DFR 428 ATOM 250 CE1 PHE 30 -1.667 33.668 26.016 1.00 13.20 3DFR 429 ATOM 251 CE2 PHE 30 -1.448 31.371 25.119 1.00 14.80 3DFR 430 ATOM 252 CZ PHE 30 -.963 32.548 25.708 1.00 16.10 3DFR 431 ATOM 253 N ARG 31 -6.130 33.942 27.136 1.00 12.00 3DFR 432 ATOM 254 CA ARG 31 -5.950 34.664 28.462 1.00 15.70 3DFR 433 ATOM 255 C ARG 31 -6.726 33.904 29.555 1.00 13.70 3DFR 434 ATOM 256 O ARG 31 -6.202 33.668 30.685 1.00 19.70 3DFR 435 ATOM 257 CB ARG 31 -6.493 36.076 28.247 1.00 16.80 3DFR 436 ATOM 258 CG ARG 31 -6.360 36.879 29.629 1.00 20.80 3DFR 437 ATOM 259 CD ARG 31 -6.791 38.435 29.639 1.00 26.30 3DFR 438 ATOM 260 NE ARG 31 -7.366 39.169 30.843 1.00 73.50 3DFR 439 ATOM 261 CZ ARG 31 -6.313 39.661 31.740 1.00 65.60 3DFR 440 ATOM 262 NH1 ARG 31 -5.048 40.084 31.394 1.00 51.30 3DFR 441 ATOM 263 NH2 ARG 31 -6.827 39.592 33.057 1.00 79.10 3DFR 442 ATOM 264 N ALA 32 -8.012 33.543 29.405 1.00 14.20 3DFR 443 ATOM 265 CA ALA 32 -8.835 32.803 30.414 1.00 16.30 3DFR 444 ATOM 266 C ALA 32 -8.145 31.608 30.955 1.00 15.80 3DFR 445 ATOM 267 O ALA 32 -8.318 31.098 31.973 1.00 19.90 3DFR 446 ATOM 268 CB ALA 32 -10.197 32.411 29.863 1.00 17.00 3DFR 447 ATOM 269 N GLN 33 -7.423 30.867 29.956 1.00 16.50 3DFR 448 ATOM 270 CA GLN 33 -6.755 29.635 30.190 1.00 15.50 3DFR 449 ATOM 271 C GLN 33 -5.415 29.853 30.778 1.00 13.50 3DFR 450 ATOM 272 O GLN 33 -4.822 28.727 31.011 1.00 19.70 3DFR 451 ATOM 273 CB GLN 33 -6.758 28.633 28.901 1.00 13.30 3DFR 452 ATOM 274 CG GLN 33 -8.188 28.322 28.322 1.00 14.60 3DFR 453 ATOM 275 CD GLN 33 -8.961 27.469 29.340 1.00 23.90 3DFR 454 ATOM 276 OE1 GLN 33 -8.451 26.735 30.162 1.00 26.20 3DFR 455 ATOM 277 NE2 GLN 33 -10.024 28.017 29.443 1.00 28.80 3DFR 456 ATOM 278 N THR 34 -4.865 31.067 30.871 1.00 16.20 3DFR 457 ATOM 279 CA THR 34 -3.474 31.010 31.301 1.00 10.60 3DFR 458 ATOM 280 C THR 34 -3.334 32.000 32.534 1.00 13.10 3DFR 459 ATOM 281 O THR 34 -2.300 31.776 33.150 1.00 18.90 3DFR 460 ATOM 282 CB THR 34 -2.429 31.539 30.208 1.00 12.80 3DFR 461 ATOM 283 OG1 THR 34 -2.928 32.691 29.583 1.00 12.50 3DFR 462 ATOM 284 CG2 THR 34 -2.267 30.475 29.060 1.00 15.30 3DFR 463 ATOM 285 N VAL 35 -4.391 32.859 32.608 1.00 16.20 3DFR 464 ATOM 286 CA VAL 35 -4.240 33.755 33.822 1.00 16.20 3DFR 465 ATOM 287 C VAL 35 -4.118 32.909 35.139 1.00 10.70 3DFR 466 ATOM 288 O VAL 35 -4.851 31.925 35.279 1.00 19.30 3DFR 467 ATOM 289 CB VAL 35 -5.386 34.782 34.130 1.00 17.70 3DFR 468 ATOM 290 CG1 VAL 35 -5.081 35.784 33.141 1.00 21.50 3DFR 469 ATOM 291 CG2 VAL 35 -6.651 34.060 33.804 1.00 25.60 3DFR 470 ATOM 292 N GLY 36 -3.194 33.400 36.017 1.00 18.10 3DFR 471 ATOM 293 CA GLY 36 -2.961 32.597 37.184 1.00 14.10 3DFR 472 ATOM 294 C GLY 36 -2.177 31.403 37.128 1.00 24.20 3DFR 473 ATOM 295 O GLY 36 -1.797 30.867 38.090 1.00 24.60 3DFR 474 ATOM 296 N LYS 37 -1.721 30.911 35.942 1.00 20.60 3DFR 475 ATOM 297 CA LYS 37 -1.060 29.592 35.914 1.00 18.60 3DFR 476 ATOM 298 C LYS 37 .359 29.834 35.615 1.00 18.30 3DFR 477 ATOM 299 O LYS 37 .812 31.004 35.438 1.00 14.70 3DFR 478 ATOM 300 CB LYS 37 -1.750 28.919 34.635 1.00 15.70 3DFR 479 ATOM 301 CG LYS 37 -3.176 28.652 35.111 1.00 23.20 3DFR 480 ATOM 302 CD LYS 37 -3.898 27.812 34.186 1.00 29.00 3DFR 481 ATOM 303 CE LYS 37 -5.296 27.258 34.709 1.00 27.20 3DFR 482 ATOM 304 NZ LYS 37 -6.414 27.949 35.083 1.00 61.60 3DFR 483 ATOM 305 N ILE 38 1.204 28.832 35.484 1.00 17.30 3DFR 484 ATOM 306 CA ILE 38 2.576 28.895 34.952 1.00 15.30 3DFR 485 ATOM 307 C ILE 38 2.565 28.590 33.505 1.00 18.90 3DFR 486 ATOM 308 O ILE 38 2.177 27.532 32.991 1.00 13.80 3DFR 487 ATOM 309 CB ILE 38 3.460 27.837 35.774 1.00 14.90 3DFR 488 ATOM 310 CG1 ILE 38 3.341 28.254 37.287 1.00 13.30 3DFR 489 ATOM 311 CG2 ILE 38 4.879 27.818 35.130 1.00 14.40 3DFR 490 ATOM 312 CD1 ILE 38 3.913 27.065 37.978 1.00 19.80 3DFR 491 ATOM 313 N MET 39 2.749 29.567 32.683 1.00 15.50 3DFR 492 ATOM 314 CA MET 39 2.623 29.585 31.329 1.00 14.30 3DFR 493 ATOM 315 C MET 39 3.999 29.318 30.610 1.00 14.20 3DFR 494 ATOM 316 O MET 39 4.847 30.251 30.741 1.00 16.60 3DFR 495 ATOM 317 CB MET 39 1.908 30.836 30.787 1.00 12.40 3DFR 496 ATOM 318 CG MET 39 1.664 30.712 29.144 1.00 15.10 3DFR 497 ATOM 319 SD MET 39 1.358 32.398 28.528 1.00 17.60 3DFR 498 ATOM 320 CE MET 39 2.770 33.338 28.789 1.00 19.20 3DFR 499 ATOM 321 N VAL 40 4.380 28.247 29.938 1.00 11.90 3DFR 500 ATOM 322 CA VAL 40 5.677 28.017 29.256 1.00 10.00 3DFR 501 ATOM 323 C VAL 40 5.609 28.222 27.790 1.00 14.00 3DFR 502 ATOM 324 O VAL 40 4.768 27.625 27.183 1.00 9.60 3DFR 503 ATOM 325 CB VAL 40 6.072 26.586 29.620 1.00 10.60 3DFR 504 ATOM 326 CG1 VAL 40 7.416 26.225 29.163 1.00 12.60 3DFR 505 ATOM 327 CG2 VAL 40 6.007 26.324 31.217 1.00 11.40 3DFR 506 ATOM 328 N VAL 41 6.482 29.075 27.360 1.00 12.60 3DFR 507 ATOM 329 CA VAL 41 6.572 29.380 25.922 1.00 13.10 3DFR 508 ATOM 330 C VAL 41 8.059 29.392 25.521 1.00 20.00 3DFR 509 ATOM 331 O VAL 41 8.939 29.560 26.342 1.00 16.10 3DFR 510 ATOM 332 CB VAL 41 6.069 30.824 25.530 1.00 12.00 3DFR 511 ATOM 333 CG1 VAL 41 4.520 30.755 25.680 1.00 21.60 3DFR 512 ATOM 334 CG2 VAL 41 6.550 31.882 26.576 1.00 13.20 3DFR 513 ATOM 335 N GLY 42 8.332 28.994 24.325 1.00 14.20 3DFR 514 ATOM 336 CA GLY 42 9.651 29.025 23.662 1.00 12.90 3DFR 515 ATOM 337 C GLY 42 9.949 30.475 23.420 1.00 12.80 3DFR 516 ATOM 338 O GLY 42 9.159 31.483 23.336 1.00 12.90 3DFR 517 ATOM 339 N ARG 43 11.286 30.799 23.364 1.00 14.30 3DFR 518 ATOM 340 CA ARG 43 11.817 32.131 23.252 1.00 15.10 3DFR 519 ATOM 341 C ARG 43 11.117 32.871 22.010 1.00 14.40 3DFR 520 ATOM 342 O ARG 43 10.858 34.103 22.094 1.00 17.20 3DFR 521 ATOM 343 CB ARG 43 13.319 32.106 23.233 1.00 12.90 3DFR 522 ATOM 344 CG ARG 43 13.891 33.543 23.140 1.00 15.60 3DFR 523 ATOM 345 CD ARG 43 14.153 34.197 21.823 1.00 17.50 3DFR 524 ATOM 346 NE ARG 43 14.871 33.288 20.842 1.00 19.30 3DFR 525 ATOM 347 CZ ARG 43 14.825 33.494 19.460 1.00 18.70 3DFR 526 ATOM 348 NH1 ARG 43 14.038 34.496 19.022 1.00 21.80 3DFR 527 ATOM 349 NH2 ARG 43 15.342 32.510 18.704 1.00 22.80 3DFR 528 ATOM 350 N ARG 44 11.142 32.068 20.833 1.00 15.50 3DFR 529 ATOM 351 CA ARG 44 10.517 32.853 19.703 1.00 15.10 3DFR 530 ATOM 352 C ARG 44 9.133 33.195 19.797 1.00 16.80 3DFR 531 ATOM 353 O ARG 44 8.641 34.284 19.479 1.00 15.20 3DFR 532 ATOM 354 CB ARG 44 10.872 31.726 18.639 1.00 18.20 3DFR 533 ATOM 355 CG ARG 44 10.772 32.025 17.154 1.00 34.60 3DFR 534 ATOM 356 CD ARG 44 11.573 30.774 16.659 1.00 31.30 3DFR 535 ATOM 357 NE ARG 44 12.708 30.600 16.015 1.00 37.60 3DFR 536 ATOM 358 CZ ARG 44 13.186 29.424 15.529 1.00 44.50 3DFR 537 ATOM 359 NH1 ARG 44 12.399 28.260 15.174 1.00 36.90 3DFR 538 ATOM 360 NH2 ARG 44 14.577 29.517 15.352 1.00 60.40 3DFR 539 ATOM 361 N THR 45 8.242 32.373 20.366 1.00 15.10 3DFR 540 ATOM 362 CA THR 45 6.773 32.666 20.665 1.00 17.40 3DFR 541 ATOM 363 C THR 45 6.967 33.799 21.795 1.00 18.70 3DFR 542 ATOM 364 O THR 45 6.180 34.738 21.589 1.00 17.00 3DFR 543 ATOM 365 CB THR 45 5.972 31.490 21.347 1.00 12.50 3DFR 544 ATOM 366 OG1 THR 45 6.101 30.594 20.207 1.00 18.30 3DFR 545 ATOM 367 CG2 THR 45 4.567 31.820 21.860 1.00 12.00 3DFR 546 ATOM 368 N TYR 46 7.703 33.755 22.841 1.00 16.20 3DFR 547 ATOM 369 CA TYR 46 7.617 34.900 23.700 1.00 13.30 3DFR 548 ATOM 370 C TYR 46 7.872 36.213 23.018 1.00 14.70 3DFR 549 ATOM 371 O TYR 46 7.236 37.327 23.317 1.00 14.90 3DFR 550 ATOM 372 CB TYR 46 8.745 34.688 24.811 1.00 16.50 3DFR 551 ATOM 373 CG TYR 46 8.799 35.641 25.904 1.00 19.00 3DFR 552 ATOM 374 CD1 TYR 46 7.675 35.622 26.847 1.00 16.30 3DFR 553 ATOM 375 CD2 TYR 46 9.816 36.680 26.006 1.00 16.50 3DFR 554 ATOM 376 CE1 TYR 46 7.628 36.512 27.949 1.00 16.60 3DFR 555 ATOM 377 CE2 TYR 46 9.629 37.626 27.108 1.00 15.40 3DFR 556 ATOM 378 CZ TYR 46 8.659 37.501 27.986 1.00 23.60 3DFR 557 ATOM 379 OH TYR 46 8.569 38.441 29.060 1.00 25.20 3DFR 558 ATOM 380 N GLU 47 8.918 36.406 22.131 1.00 23.40 3DFR 559 ATOM 381 CA GLU 47 9.299 37.651 21.440 1.00 21.60 3DFR 560 ATOM 382 C GLU 47 8.250 38.136 20.544 1.00 26.30 3DFR 561 ATOM 383 O GLU 47 8.091 39.343 20.170 1.00 26.30 3DFR 562 ATOM 384 CB GLU 47 10.542 37.414 20.600 1.00 19.70 3DFR 563 ATOM 385 CG GLU 47 11.605 37.476 21.748 1.00 21.00 3DFR 564 ATOM 386 CD GLU 47 12.982 37.420 20.982 1.00 26.00 3DFR 565 ATOM 387 OE1 GLU 47 13.183 36.935 19.918 1.00 31.90 3DFR 566 ATOM 388 OE2 GLU 47 13.905 37.651 21.758 1.00 26.90 3DFR 567 ATOM 389 N SER 48 7.272 37.427 20.067 1.00 25.40 3DFR 568 ATOM 390 CA SER 48 6.033 37.682 19.246 1.00 25.70 3DFR 569 ATOM 391 C SER 48 4.815 38.186 19.993 1.00 22.50 3DFR 570 ATOM 392 O SER 48 3.834 38.628 19.535 1.00 32.20 3DFR 571 ATOM 393 CB SER 48 5.526 36.431 18.564 1.00 16.60 3DFR 572 ATOM 394 OG SER 48 4.750 35.522 19.339 1.00 24.90 3DFR 573 ATOM 395 N PHE 49 4.840 38.030 21.421 1.00 25.40 3DFR 574 ATOM 396 CA PHE 49 3.791 38.678 22.290 1.00 21.50 3DFR 575 ATOM 397 C PHE 49 3.942 40.296 22.094 1.00 20.40 3DFR 576 ATOM 398 O PHE 49 5.023 40.800 22.206 1.00 27.10 3DFR 577 ATOM 399 CB PHE 49 3.801 38.261 23.709 1.00 18.90 3DFR 578 ATOM 400 CG PHE 49 3.676 36.748 23.933 1.00 19.10 3DFR 579 ATOM 401 CD1 PHE 49 3.032 35.734 23.336 1.00 14.90 3DFR 580 ATOM 402 CD2 PHE 49 4.254 36.431 25.334 1.00 17.10 3DFR 581 ATOM 403 CE1 PHE 49 2.813 34.520 23.803 1.00 18.10 3DFR 582 ATOM 404 CE2 PHE 49 4.017 35.037 25.801 1.00 13.60 3DFR 583 ATOM 405 CZ PHE 49 3.345 34.122 24.970 1.00 22.00 3DFR 584 ATOM 406 N PRO 50 2.508 40.713 22.000 1.00 26.00 3DFR 585 ATOM 407 CA PRO 50 2.706 42.287 21.860 1.00 26.70 3DFR 586 ATOM 408 C PRO 50 3.130 43.034 23.112 1.00 30.60 3DFR 587 ATOM 409 O PRO 50 3.665 44.098 22.943 1.00 33.30 3DFR 588 ATOM 410 CB PRO 50 1.157 42.953 21.823 1.00 23.20 3DFR 589 ATOM 411 CG PRO 50 .449 41.715 21.412 1.00 30.10 3DFR 590 ATOM 412 CD PRO 50 .762 40.601 22.346 1.00 28.20 3DFR 591 ATOM 413 N LYS 51 2.921 42.561 24.335 1.00 25.90 2 3DFR 592 ATOM 414 CA LYS 51 3.219 43.077 25.773 1.00 26.50 2 3DFR 593 ATOM 415 C LYS 51 4.042 41.901 26.277 1.00 26.00 2 3DFR 594 ATOM 416 O LYS 51 3.589 40.669 26.305 1.00 28.80 2 3DFR 595 ATOM 417 CB LYS 51 1.775 43.339 26.604 1.00 31.40 2 3DFR 596 ATOM 422 N ARG 52 5.278 41.963 26.875 1.00 23.90 1 3DFR 597 ATOM 423 CA ARG 52 6.169 40.731 27.360 1.00 30.70 1 3DFR 598 ATOM 424 C ARG 52 6.611 41.584 28.602 1.00 32.80 1 3DFR 599 ATOM 425 O ARG 52 7.222 42.629 28.976 1.00 29.80 1 3DFR 600 ATOM 426 CB ARG 52 7.549 40.856 26.567 1.00 17.10 1 3DFR 601 ATOM 427 CG ARG 52 7.513 40.184 25.194 1.00 19.70 1 3DFR 602 ATOM 428 CD ARG 52 8.918 40.563 24.503 1.00 23.60 1 3DFR 603 ATOM 429 NE ARG 52 8.199 41.260 23.448 1.00 42.80 1 3DFR 604 ATOM 430 CZ ARG 52 8.433 42.486 23.214 1.00 38.80 1 3DFR 605 ATOM 431 NH1 ARG 52 9.539 43.071 23.606 1.00 66.20 1 3DFR 606 ATOM 432 NH2 ARG 52 7.427 43.133 22.607 1.00 44.70 1 3DFR 607 ATOM 433 N PRO 53 6.460 40.961 30.115 1.00 19.70 1 3DFR 608 ATOM 434 CA PRO 53 5.691 39.667 29.984 1.00 18.50 1 3DFR 609 ATOM 435 C PRO 53 4.164 39.810 29.826 1.00 20.10 1 3DFR 610 ATOM 436 O PRO 53 3.618 40.918 30.068 1.00 17.30 1 3DFR 611 ATOM 437 CB PRO 53 5.936 38.995 31.413 1.00 19.90 1 3DFR 612 ATOM 438 CG PRO 53 5.928 40.264 32.337 1.00 25.40 1 3DFR 613 ATOM 439 CD PRO 53 7.067 40.769 31.674 1.00 22.80 1 3DFR 614 ATOM 440 N LEU 54 3.388 38.727 29.592 1.00 16.70 3DFR 615 ATOM 441 CA LEU 54 1.911 38.808 29.508 1.00 16.70 3DFR 616 ATOM 442 C LEU 54 1.678 38.839 31.058 1.00 15.50 3DFR 617 ATOM 443 O LEU 54 1.980 38.205 31.936 1.00 18.60 3DFR 618 ATOM 444 CB LEU 54 1.168 37.620 28.789 1.00 14.30 3DFR 619 ATOM 445 CG LEU 54 1.347 37.732 27.211 1.00 20.00 3DFR 620 ATOM 446 CD1 LEU 54 .575 36.369 26.819 1.00 12.50 3DFR 621 ATOM 447 CD2 LEU 54 .607 38.864 26.735 1.00 18.30 3DFR 622 ATOM 448 N PRO 55 .557 39.935 31.170 1.00 18.40 3DFR 623 ATOM 449 CA PRO 55 .406 40.059 32.711 1.00 16.60 3DFR 624 ATOM 450 C PRO 55 -.485 39.138 33.421 1.00 21.60 3DFR 625 ATOM 451 O PRO 55 -1.276 38.379 32.748 1.00 20.20 3DFR 626 ATOM 452 CB PRO 55 -.381 41.422 32.888 1.00 16.70 3DFR 627 ATOM 453 CG PRO 55 -1.329 41.397 31.693 1.00 31.70 3DFR 628 ATOM 454 CD PRO 55 -.223 41.347 30.675 1.00 20.30 3DFR 629 ATOM 455 N GLU 56 -.446 39.020 34.765 1.00 20.70 3DFR 630 ATOM 456 CA GLU 56 -1.329 38.161 35.615 1.00 19.80 3DFR 631 ATOM 457 C GLU 56 -1.067 36.636 35.466 1.00 22.60 3DFR 632 ATOM 458 O GLU 56 -2.041 35.896 35.821 1.00 20.60 3DFR 633 ATOM 459 CB GLU 56 -2.846 38.510 35.512 1.00 18.40 3DFR 634 ATOM 460 CG GLU 56 -3.302 39.935 36.259 1.00 52.40 3DFR 635 ATOM 461 CD GLU 56 -4.782 40.146 35.877 1.00 70.30 3DFR 636 ATOM 462 OE1 GLU 56 -5.447 39.319 36.680 1.00 72.90 3DFR 637 ATOM 463 OE2 GLU 56 -4.538 40.943 34.896 1.00 70.70 3DFR 638 ATOM 464 N ARG 57 .137 36.157 35.008 1.00 20.30 3DFR 639 ATOM 465 CA ARG 57 .341 34.707 34.915 1.00 16.50 3DFR 640 ATOM 466 C ARG 57 1.904 34.751 34.989 1.00 16.00 3DFR 641 ATOM 467 O ARG 57 2.623 35.734 34.663 1.00 17.40 3DFR 642 ATOM 468 CB ARG 57 -.154 34.122 33.449 1.00 15.30 3DFR 643 ATOM 469 CG ARG 57 .665 34.732 32.216 1.00 12.40 3DFR 644 ATOM 470 CD ARG 57 -.435 34.570 31.170 1.00 14.70 3DFR 645 ATOM 471 NE ARG 57 -1.304 35.703 31.329 1.00 16.00 3DFR 646 ATOM 472 CZ ARG 57 -1.987 36.300 30.433 1.00 20.60 3DFR 647 ATOM 473 NH1 ARG 57 -2.303 35.591 29.265 1.00 14.30 3DFR 648 ATOM 474 NH2 ARG 57 -2.274 37.595 30.320 1.00 14.90 3DFR 649 ATOM 475 N THR 58 2.504 33.599 35.316 1.00 17.50 3DFR 650 ATOM 476 CA THR 58 3.934 33.425 35.372 1.00 13.70 3DFR 651 ATOM 477 C THR 58 4.337 33.077 33.888 1.00 18.80 3DFR 652 ATOM 478 O THR 58 3.809 32.124 33.449 1.00 17.50 3DFR 653 ATOM 479 CB THR 58 4.488 32.255 36.418 1.00 11.80 3DFR 654 ATOM 480 OG1 THR 58 3.679 32.747 37.501 1.00 16.30 3DFR 655 ATOM 481 CG2 THR 58 5.885 32.311 36.568 1.00 16.80 3DFR 656 ATOM 482 N ASN 59 5.170 33.911 33.327 1.00 11.40 3DFR 657 ATOM 483 CA ASN 59 5.623 33.562 31.936 1.00 10.60 3DFR 658 ATOM 484 C ASN 59 6.891 32.921 32.188 1.00 14.90 3DFR 659 ATOM 485 O ASN 59 7.955 33.481 32.590 1.00 14.70 3DFR 660 ATOM 486 CB ASN 59 5.925 34.906 31.264 1.00 11.70 3DFR 661 ATOM 487 CG ASN 59 4.728 35.697 31.002 1.00 16.30 3DFR 662 ATOM 488 OD1 ASN 59 4.653 36.151 29.770 1.00 13.70 3DFR 663 ATOM 489 ND2 ASN 59 3.730 35.983 31.787 1.00 13.30 3DFR 664 ATOM 490 N VAL 60 7.139 31.670 31.805 1.00 10.70 3DFR 665 ATOM 491 CA VAL 60 8.465 31.029 31.815 1.00 9.80 3DFR 666 ATOM 492 C VAL 60 8.947 30.905 30.349 1.00 20.60 3DFR 667 ATOM 493 O VAL 60 8.170 30.407 29.499 1.00 16.10 3DFR 668 ATOM 494 CB VAL 60 8.203 29.604 32.337 1.00 14.20 3DFR 669 ATOM 495 CG1 VAL 60 9.475 28.671 32.160 1.00 9.60 3DFR 670 ATOM 496 CG2 VAL 60 7.606 29.604 33.850 1.00 16.20 3DFR 671 ATOM 497 N VAL 61 10.028 31.371 30.003 1.00 16.50 3DFR 672 ATOM 498 CA VAL 61 10.592 31.427 28.658 1.00 14.00 3DFR 673 ATOM 499 C VAL 61 11.666 30.438 28.677 1.00 18.00 3DFR 674 ATOM 500 O VAL 61 12.701 30.450 29.443 1.00 15.60 3DFR 675 ATOM 501 CB VAL 61 11.174 32.846 28.388 1.00 17.60 3DFR 676 ATOM 502 CG1 VAL 61 11.659 32.765 26.959 1.00 17.60 3DFR 677 ATOM 503 CG2 VAL 61 10.086 33.799 28.742 1.00 15.10 3DFR 678 ATOM 504 N LEU 62 11.706 29.511 27.762 1.00 11.10 3DFR 679 ATOM 505 CA LEU 62 12.712 28.403 27.575 1.00 12.60 3DFR 680 ATOM 506 C LEU 62 13.714 28.870 26.473 1.00 18.70 3DFR 681 ATOM 507 O LEU 62 13.362 29.318 25.362 1.00 16.80 3DFR 682 ATOM 508 CB LEU 62 12.338 26.947 27.099 1.00 12.60 3DFR 683 ATOM 509 CG LEU 62 11.695 26.094 28.126 1.00 24.50 3DFR 684 ATOM 510 CD1 LEU 62 11.498 24.644 27.556 1.00 22.50 3DFR 685 ATOM 511 CD2 LEU 62 13.222 25.690 28.705 1.00 24.60 3DFR 686 ATOM 512 N THR 63 15.076 29.125 26.613 1.00 15.30 3DFR 687 ATOM 513 CA THR 63 15.971 29.753 25.651 1.00 17.60 3DFR 688 ATOM 514 C THR 63 17.361 29.025 25.670 1.00 27.80 3DFR 689 ATOM 515 O THR 63 17.545 28.534 26.893 1.00 17.20 3DFR 690 ATOM 516 CB THR 63 16.204 31.303 25.801 1.00 21.30 3DFR 691 ATOM 517 OG1 THR 63 17.157 31.558 24.755 1.00 19.60 3DFR 692 ATOM 518 CG2 THR 63 16.510 31.645 27.342 1.00 14.20 3DFR 693 ATOM 519 N HIS 64 18.213 28.720 24.802 1.00 23.80 3DFR 694 ATOM 520 CA HIS 64 19.528 28.135 25.091 1.00 21.60 3DFR 695 ATOM 521 C HIS 64 20.591 29.243 25.334 1.00 25.00 3DFR 696 ATOM 522 O HIS 64 21.748 28.832 25.726 1.00 36.10 3DFR 697 ATOM 523 CB HIS 64 19.995 27.401 23.765 1.00 22.70 3DFR 698 ATOM 524 CG HIS 64 19.237 26.187 23.681 1.00 23.60 3DFR 699 ATOM 525 ND1 HIS 64 19.093 25.167 24.410 1.00 23.00 3DFR 700 ATOM 526 CD2 HIS 64 18.504 26.075 22.477 1.00 31.00 3DFR 701 ATOM 527 CE1 HIS 64 18.342 24.140 23.821 1.00 29.40 3DFR 702 ATOM 528 NE2 HIS 64 17.918 24.775 22.710 1.00 26.90 3DFR 703 ATOM 529 N GLN 65 20.078 30.531 25.110 1.00 23.50 3DFR 704 ATOM 530 CA GLN 65 20.987 31.708 25.203 1.00 22.20 3DFR 705 ATOM 531 C GLN 65 21.281 31.844 26.651 1.00 26.30 3DFR 706 ATOM 532 O GLN 65 20.336 32.274 27.454 1.00 27.10 3DFR 707 ATOM 533 CB GLN 65 20.530 32.946 24.624 1.00 21.90 3DFR 708 ATOM 534 CG GLN 65 19.923 32.778 23.205 1.00 29.50 3DFR 709 ATOM 535 CD GLN 65 19.589 34.191 22.673 1.00 32.60 3DFR 710 ATOM 536 OE1 GLN 65 20.074 35.255 23.093 1.00 46.50 3DFR 711 ATOM 537 NE2 GLN 65 18.317 33.867 21.954 1.00 23.20 3DFR 712 ATOM 538 N GLU 66 22.381 31.508 27.407 1.00 35.70 3DFR 713 ATOM 539 CA GLU 66 22.729 31.726 28.845 1.00 43.20 3DFR 714 ATOM 540 C GLU 66 22.395 33.151 29.424 1.00 41.50 3DFR 715 ATOM 541 O GLU 66 21.871 33.438 30.498 1.00 45.50 3DFR 716 ATOM 542 CB GLU 66 24.163 31.172 29.004 1.00 62.30 3DFR 717 ATOM 543 CG GLU 66 23.764 29.635 29.424 1.00 76.50 3DFR 718 ATOM 544 CD GLU 66 24.943 29.075 30.199 1.00132.10 3DFR 719 ATOM 545 OE1 GLU 66 25.787 29.865 30.759 1.00108.10 3DFR 720 ATOM 546 OE2 GLU 66 24.544 27.849 29.891 1.00136.30 3DFR 721 ATOM 547 N ASP 67 22.686 34.228 28.593 1.00 25.20 3DFR 722 ATOM 548 CA ASP 67 22.485 35.647 28.826 1.00 31.40 3DFR 723 ATOM 549 C ASP 67 21.206 36.369 28.649 1.00 34.80 3DFR 724 ATOM 550 O ASP 67 21.037 37.545 28.602 1.00 30.80 3DFR 725 ATOM 551 CB ASP 67 22.966 36.207 27.108 1.00 70.60 3DFR 726 ATOM 552 CG ASP 67 24.307 35.665 26.847 1.00111.50 3DFR 727 ATOM 553 OD1 ASP 67 24.935 36.219 28.089 1.00 90.60 3DFR 728 ATOM 554 OD2 ASP 67 23.944 35.012 25.577 1.00111.80 3DFR 729 ATOM 555 N TYR 68 20.132 35.504 28.117 1.00 23.90 3DFR 730 ATOM 556 CA TYR 68 18.967 36.188 27.594 1.00 21.80 3DFR 731 ATOM 557 C TYR 68 18.375 36.954 28.770 1.00 19.50 3DFR 732 ATOM 558 O TYR 68 18.256 36.412 29.891 1.00 32.00 3DFR 733 ATOM 559 CB TYR 68 17.954 34.993 27.136 1.00 19.00 3DFR 734 ATOM 560 CG TYR 68 16.657 35.547 26.529 1.00 18.80 3DFR 735 ATOM 561 CD1 TYR 68 16.887 35.933 25.157 1.00 18.60 3DFR 736 ATOM 562 CD2 TYR 68 15.414 35.485 27.043 1.00 18.10 3DFR 737 ATOM 563 CE1 TYR 68 15.845 36.580 24.428 1.00 17.30 3DFR 738 ATOM 564 CE2 TYR 68 14.340 36.039 26.361 1.00 21.40 3DFR 739 ATOM 565 CZ TYR 68 14.491 36.537 25.007 1.00 21.00 3DFR 740 ATOM 566 OH TYR 68 13.456 37.134 24.325 1.00 22.60 3DFR 741 ATOM 567 N GLN 69 17.811 38.105 28.444 1.00 30.10 3DFR 742 ATOM 568 CA GLN 69 17.063 38.914 29.359 1.00 23.60 3DFR 743 ATOM 569 C GLN 69 15.608 39.082 28.938 1.00 22.00 3DFR 744 ATOM 570 O GLN 69 15.191 39.518 27.958 1.00 29.40 3DFR 745 ATOM 571 CB GLN 69 17.735 40.377 29.387 1.00 31.50 3DFR 746 ATOM 572 CG GLN 69 19.338 40.464 29.667 1.00 53.20 3DFR 747 ATOM 573 CD GLN 69 19.715 40.607 31.180 1.00 93.10 3DFR 748 ATOM 574 OE1 GLN 69 19.341 41.316 32.197 1.00109.70 3DFR 749 ATOM 575 NE2 GLN 69 20.678 39.636 31.665 1.00107.20 3DFR 750 ATOM 576 N ALA 70 14.818 38.870 30.012 1.00 21.70 3DFR 751 ATOM 577 CA ALA 70 13.380 39.045 29.919 1.00 20.00 3DFR 752 ATOM 578 C ALA 70 12.996 39.511 31.338 1.00 22.10 3DFR 753 ATOM 579 O ALA 70 12.518 38.597 32.179 1.00 18.60 3DFR 754 ATOM 580 CB ALA 70 12.669 37.713 29.331 1.00 16.80 3DFR 755 ATOM 581 N GLN 71 12.895 40.756 31.665 1.00 21.70 3DFR 756 ATOM 582 CA GLN 71 12.475 41.298 32.916 1.00 18.10 3DFR 757 ATOM 583 C GLN 71 11.124 40.812 33.225 1.00 21.00 3DFR 758 ATOM 584 O GLN 71 10.251 41.092 32.478 1.00 19.90 3DFR 759 ATOM 585 CB GLN 71 12.543 42.884 32.916 1.00 14.00 3DFR 760 ATOM 586 CG GLN 71 14.016 43.121 32.944 1.00 18.90 3DFR 761 ATOM 587 CD GLN 71 14.120 44.633 32.851 1.00 35.50 3DFR 762 ATOM 588 OE1 GLN 71 13.312 45.461 32.552 1.00 37.10 3DFR 763 ATOM 589 NE2 GLN 71 15.141 45.256 33.309 1.00 35.80 3DFR 764 ATOM 590 N GLY 72 10.876 40.358 34.467 1.00 16.70 3DFR 765 ATOM 591 CA GLY 72 9.493 39.991 34.859 1.00 16.30 3DFR 766 ATOM 592 C GLY 72 9.090 38.572 34.383 1.00 12.00 3DFR 767 ATOM 593 O GLY 72 8.045 38.167 34.896 1.00 20.30 3DFR 768 ATOM 594 N ALA 73 9.917 37.825 33.579 1.00 18.30 3DFR 769 ATOM 595 CA ALA 73 9.583 36.437 33.103 1.00 17.80 3DFR 770 ATOM 596 C ALA 73 10.484 35.522 33.832 1.00 20.40 3DFR 771 ATOM 597 O ALA 73 11.516 35.939 34.485 1.00 18.60 3DFR 772 ATOM 598 CB ALA 73 9.942 36.338 31.590 1.00 14.60 3DFR 773 ATOM 599 N VAL 74 10.470 34.215 33.934 1.00 13.80 3DFR 774 ATOM 600 CA VAL 74 11.278 33.238 34.541 1.00 12.50 3DFR 775 ATOM 601 C VAL 74 11.943 32.709 33.327 1.00 22.60 3DFR 776 ATOM 602 O VAL 74 11.505 32.000 32.459 1.00 17.60 3DFR 777 ATOM 603 CB VAL 74 10.441 32.137 35.251 1.00 14.20 3DFR 778 ATOM 604 CG1 VAL 74 11.404 31.067 35.821 1.00 12.90 3DFR 779 ATOM 605 CG2 VAL 74 9.381 32.604 36.185 1.00 16.90 3DFR 780 ATOM 606 N VAL 75 13.215 32.971 33.187 1.00 13.90 3DFR 781 ATOM 607 CA VAL 75 14.099 32.622 32.039 1.00 17.30 3DFR 782 ATOM 608 C VAL 75 14.832 31.340 32.468 1.00 21.60 3DFR 783 ATOM 609 O VAL 75 15.734 31.409 33.309 1.00 21.70 3DFR 784 ATOM 610 CB VAL 75 15.119 33.668 31.525 1.00 14.50 3DFR 785 ATOM 611 CG1 VAL 75 16.068 33.195 30.470 1.00 20.70 3DFR 786 ATOM 612 CG2 VAL 75 14.257 34.937 31.254 1.00 10.60 3DFR 787 ATOM 613 N VAL 76 14.652 30.033 31.889 1.00 18.20 3DFR 788 ATOM 614 CA VAL 76 15.339 28.820 32.113 1.00 15.60 3DFR 789 ATOM 615 C VAL 76 15.683 28.322 30.722 1.00 14.70 3DFR 790 ATOM 616 O VAL 76 15.489 28.745 29.527 1.00 19.30 3DFR 791 ATOM 617 CB VAL 76 14.480 27.830 32.916 1.00 16.30 3DFR 792 ATOM 618 CG1 VAL 76 14.120 28.440 34.224 1.00 17.90 3DFR 793 ATOM 619 CG2 VAL 76 13.125 27.538 32.160 1.00 16.50 3DFR 794 ATOM 620 N HIS 77 16.596 27.227 30.937 1.00 16.10 3DFR 795 ATOM 621 CA HIS 77 17.394 26.667 29.826 1.00 17.60 3DFR 796 ATOM 622 C HIS 77 17.225 25.229 29.545 1.00 20.00 3DFR 797 ATOM 623 O HIS 77 17.893 24.756 28.640 1.00 20.90 3DFR 798 ATOM 624 CB HIS 77 19.014 27.071 29.844 1.00 23.80 3DFR 799 ATOM 625 CG HIS 77 19.330 28.465 30.190 1.00 24.00 3DFR 800 ATOM 626 ND1 HIS 77 19.075 29.604 29.517 1.00 20.70 3DFR 801 ATOM 627 CD2 HIS 77 19.532 28.975 31.488 1.00 23.80 3DFR 802 ATOM 628 CE1 HIS 77 19.363 30.786 30.134 1.00 19.90 3DFR 803 ATOM 629 NE2 HIS 77 19.679 30.276 31.441 1.00 26.30 3DFR 804 ATOM 630 N ASP 78 16.345 24.563 30.264 1.00 19.60 3DFR 805 ATOM 631 CA ASP 78 16.172 23.107 29.872 1.00 24.60 3DFR 806 ATOM 632 C ASP 78 14.839 22.814 30.358 1.00 19.10 3DFR 807 ATOM 633 O ASP 78 14.275 23.493 31.422 1.00 18.70 3DFR 808 ATOM 634 CB ASP 78 17.451 22.497 30.461 1.00 33.40 3DFR 809 ATOM 635 CG ASP 78 17.976 22.323 31.759 1.00 39.30 3DFR 810 ATOM 636 OD1 ASP 78 16.991 22.385 32.683 1.00 26.80 3DFR 811 ATOM 637 OD2 ASP 78 19.330 21.906 31.572 1.00108.20 3DFR 812 ATOM 638 N VAL 79 14.192 21.657 30.143 1.00 18.20 3DFR 813 ATOM 639 CA VAL 79 12.942 21.184 30.713 1.00 20.20 3DFR 814 ATOM 640 C VAL 79 12.992 20.848 32.216 1.00 21.00 3DFR 815 ATOM 641 O VAL 79 12.022 21.184 32.898 1.00 18.30 3DFR 816 ATOM 642 CB VAL 79 12.532 19.865 29.798 1.00 19.10 3DFR 817 ATOM 643 CG1 VAL 79 11.426 19.180 30.339 1.00 19.80 3DFR 818 ATOM 644 CG2 VAL 79 12.055 20.468 28.500 1.00 18.30 3DFR 819 ATOM 645 N ALA 80 14.074 20.344 32.823 1.00 20.10 3DFR 820 ATOM 646 CA ALA 80 14.307 19.927 34.224 1.00 17.00 3DFR 821 ATOM 647 C ALA 80 14.067 21.290 34.952 1.00 11.50 3DFR 822 ATOM 648 O ALA 80 13.370 21.190 35.979 1.00 20.60 3DFR 823 ATOM 649 CB ALA 80 15.734 19.361 34.401 1.00 19.50 3DFR 824 ATOM 650 N ALA 81 14.541 22.447 34.476 1.00 14.90 3DFR 825 ATOM 651 CA ALA 81 14.250 23.698 35.242 1.00 17.00 3DFR 826 ATOM 652 C ALA 81 12.899 24.096 35.260 1.00 25.20 3DFR 827 ATOM 653 O ALA 81 12.464 24.688 36.222 1.00 20.10 3DFR 828 ATOM 654 CB ALA 81 15.101 24.762 34.569 1.00 16.40 3DFR 829 ATOM 655 N VAL 82 12.055 23.767 34.270 1.00 21.40 3DFR 830 ATOM 656 CA VAL 82 10.736 24.121 34.205 1.00 19.50 3DFR 831 ATOM 657 C VAL 82 10.093 23.368 35.382 1.00 16.50 3DFR 832 ATOM 658 O VAL 82 9.198 23.736 36.185 1.00 19.20 3DFR 833 ATOM 659 CB VAL 82 10.014 23.966 32.767 1.00 16.00 3DFR 834 ATOM 660 CG1 VAL 82 8.490 24.252 32.963 1.00 17.10 3DFR 835 ATOM 661 CG2 VAL 82 10.657 24.905 31.768 1.00 14.80 3DFR 836 ATOM 662 N PHE 83 10.265 22.012 35.344 1.00 15.20 3DFR 837 ATOM 663 CA PHE 83 9.604 21.178 36.353 1.00 14.30 3DFR 838 ATOM 664 C PHE 83 10.222 21.576 37.772 1.00 17.90 3DFR 839 ATOM 665 O PHE 83 9.360 21.464 38.603 1.00 20.10 3DFR 840 ATOM 666 CB PHE 83 9.884 19.709 35.989 1.00 19.50 3DFR 841 ATOM 667 CG PHE 83 8.893 19.273 34.887 1.00 14.90 3DFR 842 ATOM 668 CD1 PHE 83 7.545 19.242 35.046 1.00 26.10 3DFR 843 ATOM 669 CD2 PHE 83 9.618 18.825 33.785 1.00 19.70 3DFR 844 ATOM 670 CE1 PHE 83 6.676 18.794 34.009 1.00 27.50 3DFR 845 ATOM 671 CE2 PHE 83 8.835 18.390 32.646 1.00 26.60 3DFR 846 ATOM 672 CZ PHE 83 7.491 18.402 32.842 1.00 23.60 3DFR 847 ATOM 673 N ALA 84 11.408 21.788 37.950 1.00 17.30 3DFR 848 ATOM 674 CA ALA 84 12.004 22.248 39.294 1.00 20.80 3DFR 849 ATOM 675 C ALA 84 11.250 23.543 39.658 1.00 28.20 3DFR 850 ATOM 676 O ALA 84 10.732 23.642 40.798 1.00 22.00 3DFR 851 ATOM 677 CB ALA 84 13.470 22.734 39.126 1.00 20.90 3DFR 852 ATOM 678 N TYR 85 10.865 24.495 38.781 1.00 19.10 3DFR 853 ATOM 679 CA TYR 85 10.125 25.677 39.098 1.00 14.20 3DFR 854 ATOM 680 C TYR 85 8.720 25.260 39.500 1.00 22.50 3DFR 855 ATOM 681 O TYR 85 8.142 25.677 40.462 1.00 18.50 3DFR 856 ATOM 682 CB TYR 85 10.143 26.654 37.884 1.00 13.90 3DFR 857 ATOM 683 CG TYR 85 9.349 27.930 38.211 1.00 16.40 3DFR 858 ATOM 684 CD1 TYR 85 9.974 29.000 38.846 1.00 19.10 3DFR 859 ATOM 685 CD2 TYR 85 7.912 28.154 37.931 1.00 15.20 3DFR 860 ATOM 686 CE1 TYR 85 9.270 30.158 39.294 1.00 21.90 3DFR 861 ATOM 687 CE2 TYR 85 7.254 29.343 38.389 1.00 19.90 3DFR 862 ATOM 688 CZ TYR 85 7.955 30.432 39.024 1.00 18.20 3DFR 863 ATOM 689 OH TYR 85 7.305 31.471 39.453 1.00 20.70 3DFR 864 ATOM 690 N ALA 86 8.005 24.482 38.687 1.00 17.90 3DFR 865 ATOM 691 CA ALA 86 6.654 23.935 38.911 1.00 20.00 3DFR 866 ATOM 692 C ALA 86 6.511 23.138 40.340 1.00 17.90 3DFR 867 ATOM 693 O ALA 86 5.522 23.480 41.087 1.00 26.30 3DFR 868 ATOM 694 CB ALA 86 6.162 23.045 37.707 1.00 17.10 3DFR 869 ATOM 695 N LYS 87 7.499 22.385 40.732 1.00 24.10 3DFR 870 ATOM 696 CA LYS 87 7.646 21.694 42.002 1.00 30.40 3DFR 871 ATOM 697 C LYS 87 7.596 22.790 43.170 1.00 19.70 3DFR 872 ATOM 698 O LYS 87 6.988 22.671 44.262 1.00 34.50 3DFR 873 ATOM 699 CB LYS 87 8.763 20.767 42.320 1.00 28.40 3DFR 874 ATOM 700 CG LYS 87 8.325 19.273 42.208 1.00 60.90 3DFR 875 ATOM 701 CD LYS 87 9.521 18.172 42.096 1.00 61.20 3DFR 876 ATOM 702 CE LYS 87 10.660 18.527 43.291 1.00 71.30 3DFR 877 ATOM 703 NZ LYS 87 10.664 17.400 44.440 1.00 82.30 3DFR 878 ATOM 704 N GLN 88 8.253 23.978 43.011 1.00 21.50 3DFR 879 ATOM 705 CA GLN 88 8.271 25.042 44.001 1.00 26.10 3DFR 880 ATOM 706 C GLN 88 7.078 25.827 44.346 1.00 20.40 3DFR 881 ATOM 707 O GLN 88 6.676 26.573 45.261 1.00 36.00 3DFR 882 ATOM 708 CB GLN 88 9.593 25.864 43.889 1.00 31.00 3DFR 883 ATOM 709 CG GLN 88 10.524 26.542 44.841 1.00 95.70 3DFR 884 ATOM 710 CD GLN 88 11.052 28.067 44.729 1.00 71.00 3DFR 885 ATOM 711 OE1 GLN 88 10.650 29.237 45.103 1.00 56.30 3DFR 886 ATOM 712 NE2 GLN 88 12.169 28.073 44.066 1.00 37.30 3DFR 887 ATOM 713 N HIS 89 6.087 25.752 43.282 1.00 22.60 3DFR 888 ATOM 714 CA HIS 89 4.836 26.287 42.740 1.00 31.80 3DFR 889 ATOM 715 C HIS 89 3.758 25.391 43.076 1.00 44.20 3DFR 890 ATOM 716 O HIS 89 3.949 25.372 44.636 1.00 53.80 3DFR 891 ATOM 717 CB HIS 89 4.700 27.606 41.965 1.00 21.30 3DFR 892 ATOM 718 CG HIS 89 5.907 28.440 42.170 1.00 26.00 3DFR 893 ATOM 719 ND1 HIS 89 5.835 29.697 42.796 1.00 25.10 3DFR 894 ATOM 720 CD2 HIS 89 7.279 28.490 41.900 1.00 20.20 3DFR 895 ATOM 721 CE1 HIS 89 7.085 30.282 42.899 1.00 25.10 3DFR 896 ATOM 722 NE2 HIS 89 7.994 29.592 42.320 1.00 24.70 3DFR 897 ATOM 723 N LEU 90 3.158 24.812 42.591 1.00 39.50 3DFR 898 ATOM 724 CA LEU 90 2.389 23.767 43.599 1.00 33.20 3DFR 899 ATOM 725 C LEU 90 .938 23.754 43.300 1.00 41.70 3DFR 900 ATOM 726 O LEU 90 .140 22.970 42.703 1.00 45.20 3DFR 901 ATOM 727 CB LEU 90 2.946 23.263 45.056 1.00 36.80 3DFR 902 ATOM 728 CG LEU 90 3.101 22.074 44.580 1.00 64.70 3DFR 903 ATOM 729 CD1 LEU 90 4.531 20.904 44.944 1.00 66.90 3DFR 904 ATOM 730 CD2 LEU 90 1.534 21.078 45.140 1.00 87.60 3DFR 905 ATOM 731 N ASP 91 .363 24.862 43.590 1.00 39.90 3DFR 906 ATOM 732 CA ASP 91 -.952 25.434 43.646 1.00 46.50 3DFR 907 ATOM 733 C ASP 91 -1.182 26.144 42.198 1.00 28.70 3DFR 908 ATOM 734 O ASP 91 -2.386 26.660 41.918 1.00 59.70 3DFR 909 ATOM 735 CB ASP 91 -.902 26.380 45.065 1.00 40.20 3DFR 910 ATOM 736 CG ASP 91 .162 27.463 44.701 1.00 63.80 3DFR 911 ATOM 737 OD1 ASP 91 .133 28.671 44.075 1.00 90.20 3DFR 912 ATOM 738 OD2 ASP 91 1.513 27.177 44.785 1.00 67.30 3DFR 913 ATOM 739 N GLN 92 -.025 26.281 41.330 1.00 24.10 3DFR 914 ATOM 740 CA GLN 92 -.305 26.916 39.957 1.00 23.50 3DFR 915 ATOM 741 C GLN 92 -.137 25.627 38.995 1.00 20.70 3DFR 916 ATOM 742 O GLN 92 .578 24.601 39.164 1.00 30.80 3DFR 917 ATOM 743 CB GLN 92 .740 27.893 39.658 1.00 21.50 3DFR 918 ATOM 744 CG GLN 92 .345 29.137 40.602 1.00 27.30 3DFR 919 ATOM 745 CD GLN 92 1.272 30.183 40.079 1.00 43.00 3DFR 920 ATOM 746 OE1 GLN 92 2.501 29.996 40.434 1.00 32.80 3DFR 921 ATOM 747 NE2 GLN 92 .895 30.998 39.061 1.00 39.40 3DFR 922 ATOM 748 N GLU 93 -1.096 25.546 38.108 1.00 20.00 3DFR 923 ATOM 749 CA GLU 93 -1.132 24.501 37.006 1.00 25.80 3DFR 924 ATOM 750 C GLU 93 -.165 24.843 35.961 1.00 27.70 3DFR 925 ATOM 751 O GLU 93 .129 26.051 35.709 1.00 18.90 3DFR 926 ATOM 752 CB GLU 93 -2.526 24.401 36.568 1.00 33.50 3DFR 927 ATOM 753 CG GLU 93 -3.633 23.480 37.193 1.00 44.90 3DFR 928 ATOM 754 CD GLU 93 -4.969 24.103 36.680 1.00 93.30 3DFR 929 ATOM 755 OE1 GLU 93 -5.001 25.316 37.277 1.00117.50 3DFR 930 ATOM 756 OE2 GLU 93 -5.792 23.623 35.821 1.00127.60 3DFR 931 ATOM 757 N LEU 94 .507 23.941 35.326 1.00 19.00 3DFR 932 ATOM 758 CA LEU 94 1.444 24.196 34.270 1.00 17.60 3DFR 933 ATOM 759 C LEU 94 .722 23.953 32.804 1.00 20.70 3DFR 934 ATOM 760 O LEU 94 .097 23.007 32.487 1.00 17.30 3DFR 935 ATOM 761 CB LEU 94 2.486 23.076 34.383 1.00 19.60 3DFR 936 ATOM 762 CG LEU 94 3.694 23.001 33.692 1.00 16.70 3DFR 937 ATOM 763 CD1 LEU 94 4.459 24.426 33.878 1.00 15.10 3DFR 938 ATOM 764 CD2 LEU 94 4.685 21.856 33.841 1.00 19.00 3DFR 939 ATOM 765 N VAL 95 .780 25.036 32.076 1.00 15.20 3DFR 940 ATOM 766 CA VAL 95 .262 25.161 30.741 1.00 14.00 3DFR 941 ATOM 767 C VAL 95 1.527 25.559 29.714 1.00 17.10 3DFR 942 ATOM 768 O VAL 95 2.185 26.511 29.882 1.00 15.10 3DFR 943 ATOM 769 CB VAL 95 -.755 26.337 30.647 1.00 16.90 3DFR 944 ATOM 770 CG1 VAL 95 -1.401 26.138 29.247 1.00 18.60 3DFR 945 ATOM 771 CG2 VAL 95 -1.811 26.075 31.684 1.00 22.70 3DFR 946 ATOM 772 N ILE 96 1.613 24.576 28.752 1.00 9.20 3DFR 947 ATOM 773 CA ILE 96 2.648 24.688 27.659 1.00 9.80 3DFR 948 ATOM 774 C ILE 96 1.854 25.341 26.483 1.00 11.20 3DFR 949 ATOM 775 O ILE 96 .880 24.800 26.100 1.00 11.80 3DFR 950 ATOM 776 CB ILE 96 3.205 23.263 27.472 1.00 8.40 3DFR 951 ATOM 777 CG1 ILE 96 3.593 22.354 28.714 1.00 12.20 3DFR 952 ATOM 778 CG2 ILE 96 4.369 23.561 26.417 1.00 8.50 3DFR 953 ATOM 779 CD1 ILE 96 4.624 23.169 29.433 1.00 11.40 3DFR 954 ATOM 780 N ALA 97 2.339 26.555 26.156 1.00 10.00 3DFR 955 ATOM 781 CA ALA 97 1.635 27.351 25.138 1.00 8.10 3DFR 956 ATOM 782 C ALA 97 2.436 27.420 23.737 1.00 13.20 3DFR 957 ATOM 783 O ALA 97 1.865 28.198 22.981 1.00 14.10 3DFR 958 ATOM 784 CB ALA 97 1.373 28.714 25.838 1.00 10.60 3DFR 959 ATOM 785 N GLY 98 3.482 26.654 23.569 1.00 12.00 1 3DFR 960 ATOM 786 CA GLY 98 4.161 26.660 22.336 1.00 14.70 1 3DFR 961 ATOM 787 C GLY 98 5.436 27.364 22.215 1.00 14.70 1 3DFR 962 ATOM 788 O GLY 98 5.774 27.924 23.168 1.00 13.30 1 3DFR 963 ATOM 789 N GLY 99 6.036 27.382 20.936 1.00 9.10 1 3DFR 964 ATOM 790 CA GLY 99 5.487 26.816 19.750 1.00 12.10 1 3DFR 965 ATOM 791 C GLY 99 5.925 25.497 19.675 1.00 12.90 1 3DFR 966 ATOM 792 O GLY 99 6.036 24.669 20.544 1.00 11.90 1 3DFR 967 ATOM 793 N ALA 100 6.097 24.961 18.405 1.00 11.60 3DFR 968 ATOM 794 CA ALA 100 6.381 23.586 18.032 1.00 14.10 3DFR 969 ATOM 795 C ALA 100 7.624 22.877 18.732 1.00 12.00 3DFR 970 ATOM 796 O ALA 100 7.509 21.744 19.274 1.00 14.60 3DFR 971 ATOM 797 CB ALA 100 6.514 23.368 16.510 1.00 15.10 3DFR 972 ATOM 798 N GLN 101 8.713 23.692 18.816 1.00 13.40 3DFR 973 ATOM 799 CA GLN 101 9.924 23.076 19.442 1.00 14.60 3DFR 974 ATOM 800 C GLN 101 9.579 22.839 20.898 1.00 10.90 3DFR 975 ATOM 801 O GLN 101 9.999 21.887 21.524 1.00 15.70 3DFR 976 ATOM 802 CB GLN 101 11.027 24.103 19.554 1.00 13.70 3DFR 977 ATOM 803 CG GLN 101 11.505 24.034 18.134 1.00 13.70 3DFR 978 ATOM 804 CD GLN 101 12.823 24.775 18.041 1.00 28.30 3DFR 979 ATOM 805 OE1 GLN 101 13.118 25.459 17.117 1.00 24.30 3DFR 980 ATOM 806 NE2 GLN 101 13.686 24.787 18.965 1.00 19.50 3DFR 981 ATOM 807 N ILE 102 8.832 23.785 21.552 1.00 13.10 3DFR 982 ATOM 808 CA ILE 102 8.490 23.443 22.999 1.00 11.10 3DFR 983 ATOM 809 C ILE 102 7.459 22.429 23.214 1.00 12.80 3DFR 984 ATOM 810 O ILE 102 7.614 21.663 24.185 1.00 12.50 3DFR 985 ATOM 811 CB ILE 102 8.070 24.856 23.672 1.00 16.00 3DFR 986 ATOM 812 CG1 ILE 102 9.097 25.665 24.363 1.00 18.60 3DFR 987 ATOM 813 CG2 ILE 102 7.067 24.937 24.811 1.00 12.80 3DFR 988 ATOM 814 CD1 ILE 102 10.481 25.596 23.709 1.00 15.50 3DFR 989 ATOM 815 N PHE 103 6.489 22.391 22.280 1.00 12.40 3DFR 990 ATOM 816 CA PHE 103 5.573 21.215 22.402 1.00 13.50 3DFR 991 ATOM 817 C PHE 103 6.313 19.883 22.327 1.00 14.60 3DFR 992 ATOM 818 O PHE 103 6.054 18.888 22.990 1.00 11.70 3DFR 993 ATOM 819 CB PHE 103 4.427 21.296 21.365 1.00 11.70 3DFR 994 ATOM 820 CG PHE 103 3.381 22.447 21.533 1.00 11.40 3DFR 995 ATOM 821 CD1 PHE 103 2.849 22.522 22.878 1.00 12.70 3DFR 996 ATOM 822 CD2 PHE 103 3.061 23.287 20.469 1.00 13.60 3DFR 997 ATOM 823 CE1 PHE 103 1.811 23.462 22.971 1.00 11.60 3DFR 998 ATOM 824 CE2 PHE 103 2.030 24.227 20.628 1.00 15.40 3DFR 999 ATOM 825 CZ PHE 103 1.538 24.358 21.982 1.00 11.70 3DFR1000 ATOM 826 N THR 104 7.362 19.809 21.375 1.00 13.50 3DFR1001 ATOM 827 CA THR 104 8.181 18.514 21.272 1.00 11.60 3DFR1002 ATOM 828 C THR 104 8.936 18.253 22.579 1.00 12.80 3DFR1003 ATOM 829 O THR 104 8.839 17.139 23.046 1.00 18.60 3DFR1004 ATOM 830 CB THR 104 9.259 18.950 20.273 1.00 11.60 3DFR1005 ATOM 831 OG1 THR 104 8.623 19.056 18.909 1.00 16.80 3DFR1006 ATOM 832 CG2 THR 104 10.204 17.674 19.993 1.00 16.00 3DFR1007 ATOM 833 N ALA 105 9.471 19.342 23.177 1.00 13.00 3DFR1008 ATOM 834 CA ALA 105 10.276 19.130 24.456 1.00 14.20 3DFR1009 ATOM 835 C ALA 105 9.248 18.695 25.362 1.00 16.60 3DFR1010 ATOM 836 O ALA 105 9.741 17.792 26.333 1.00 16.80 3DFR1011 ATOM 837 CB ALA 105 10.772 20.587 24.839 1.00 15.30 3DFR1012 ATOM 838 N PHE 106 7.969 18.856 25.670 1.00 16.40 3DFR1013 ATOM 839 CA PHE 106 7.100 18.359 26.819 1.00 17.60 3DFR1014 ATOM 840 C PHE 106 6.223 17.288 26.202 1.00 19.80 3DFR1015 ATOM 841 O PHE 106 5.321 16.896 26.884 1.00 15.10 3DFR1016 ATOM 842 CB PHE 106 6.223 19.616 27.342 1.00 16.30 3DFR1017 ATOM 843 CG PHE 106 7.096 20.543 27.958 1.00 14.10 3DFR1018 ATOM 844 CD1 PHE 106 7.793 21.663 27.435 1.00 13.10 3DFR1019 ATOM 845 CD2 PHE 106 7.315 20.325 29.368 1.00 14.30 3DFR1020 ATOM 846 CE1 PHE 106 8.666 22.566 28.070 1.00 21.10 3DFR1021 ATOM 847 CE2 PHE 106 8.034 21.246 30.152 1.00 16.00 3DFR1022 ATOM 848 CZ PHE 106 8.756 22.248 29.545 1.00 12.90 3DFR1023 ATOM 849 N LYS 107 6.414 16.685 24.998 1.00 16.60 3DFR1024 ATOM 850 CA LYS 107 5.418 15.720 24.316 1.00 14.80 3DFR1025 ATOM 851 C LYS 107 5.253 14.550 25.362 1.00 23.50 3DFR1026 ATOM 852 O LYS 107 4.128 14.083 25.362 1.00 24.60 3DFR1027 ATOM 853 CB LYS 107 6.227 15.166 22.990 1.00 21.30 3DFR1028 ATOM 854 CG LYS 107 5.461 14.376 22.075 1.00 56.20 3DFR1029 ATOM 855 CD LYS 107 5.860 13.324 20.926 1.00 81.10 3DFR1030 ATOM 856 CE LYS 107 4.365 12.714 20.469 1.00 42.00 3DFR1031 ATOM 857 NZ LYS 107 4.922 11.389 20.011 1.00 87.30 3DFR1032 ATOM 858 N ASP 108 6.051 14.177 26.305 1.00 22.00 3DFR1033 ATOM 859 CA ASP 108 5.709 13.013 27.211 1.00 20.70 3DFR1034 ATOM 860 C ASP 108 5.095 13.330 28.537 1.00 19.40 3DFR1035 ATOM 861 O ASP 108 4.764 12.310 29.163 1.00 26.60 3DFR1036 ATOM 862 CB ASP 108 7.010 12.079 27.295 1.00 24.00 3DFR1037 ATOM 863 CG ASP 108 7.797 11.513 25.857 1.00 27.50 3DFR1038 ATOM 864 OD1 ASP 108 6.920 10.990 24.942 1.00 38.00 3DFR1039 ATOM 865 OD2 ASP 108 9.148 11.737 26.100 1.00 61.70 3DFR1040 ATOM 866 N ASP 109 4.962 14.581 28.696 1.00 16.00 3DFR1041 ATOM 867 CA ASP 109 4.463 14.774 30.078 1.00 18.30 3DFR1042 ATOM 868 C ASP 109 3.176 15.471 29.882 1.00 26.50 3DFR1043 ATOM 869 O ASP 109 2.594 15.857 30.890 1.00 25.00 3DFR1044 ATOM 870 CB ASP 109 5.479 15.988 30.442 1.00 19.00 3DFR1045 ATOM 871 CG ASP 109 6.945 15.253 30.909 1.00 22.20 3DFR1046 ATOM 872 OD1 ASP 109 6.942 14.401 31.908 1.00 50.60 3DFR1047 ATOM 873 OD2 ASP 109 7.829 15.788 30.012 1.00 36.70 3DFR1048 ATOM 874 N VAL 110 2.479 15.608 28.724 1.00 17.90 3DFR1049 ATOM 875 CA VAL 110 1.157 16.367 28.714 1.00 19.40 3DFR1050 ATOM 876 C VAL 110 .111 15.340 29.023 1.00 16.70 3DFR1051 ATOM 877 O VAL 110 -.126 14.145 28.733 1.00 16.50 3DFR1052 ATOM 878 CB VAL 110 .895 16.896 27.258 1.00 12.30 3DFR1053 ATOM 879 CG1 VAL 110 1.010 15.764 26.230 1.00 18.30 3DFR1054 ATOM 880 CG2 VAL 110 -.446 17.587 27.118 1.00 8.20 3DFR1055 ATOM 881 N ASP 111 -.884 15.795 29.835 1.00 11.00 3DFR1056 ATOM 882 CA ASP 111 -2.149 14.998 30.264 1.00 14.50 3DFR1057 ATOM 883 C ASP 111 -3.428 15.645 29.657 1.00 11.30 3DFR1058 ATOM 884 O ASP 111 -4.506 14.961 29.657 1.00 12.60 3DFR1059 ATOM 885 CB ASP 111 -2.138 14.569 31.759 1.00 27.60 3DFR1060 ATOM 886 CG ASP 111 -1.480 15.633 32.720 1.00 28.30 3DFR1061 ATOM 887 OD1 ASP 111 -2.605 16.398 32.487 1.00 39.90 3DFR1062 ATOM 888 OD2 ASP 111 -.334 15.315 33.094 1.00 42.50 3DFR1063 ATOM 889 N THR 112 -3.442 16.902 29.284 1.00 8.70 3DFR1064 ATOM 890 CA THR 112 -4.689 17.494 28.752 1.00 9.00 3DFR1065 ATOM 891 C THR 112 -4.387 18.340 27.519 1.00 10.70 3DFR1066 ATOM 892 O THR 112 -3.320 19.056 27.547 1.00 12.20 3DFR1067 ATOM 893 CB THR 112 -5.048 18.576 29.900 1.00 12.80 3DFR1068 ATOM 894 OG1 THR 112 -5.278 17.805 31.152 1.00 16.10 3DFR1069 ATOM 895 CG2 THR 112 -6.435 19.311 29.555 1.00 10.00 3DFR1070 ATOM 896 N LEU 113 -5.264 18.253 26.576 1.00 10.70 3DFR1071 ATOM 897 CA LEU 113 -5.066 19.105 25.362 1.00 14.50 3DFR1072 ATOM 898 C LEU 113 -6.137 20.201 25.343 1.00 13.50 3DFR1073 ATOM 899 O LEU 113 -7.333 19.697 25.250 1.00 12.10 3DFR1074 ATOM 900 CB LEU 113 -5.088 18.122 24.111 1.00 8.30 3DFR1075 ATOM 901 CG LEU 113 -4.222 16.821 24.260 1.00 8.70 3DFR1076 ATOM 902 CD1 LEU 113 -4.480 15.925 22.999 1.00 12.10 3DFR1077 ATOM 903 CD2 LEU 113 -2.741 17.257 24.325 1.00 8.40 3DFR1078 ATOM 904 N LEU 114 -5.785 21.433 25.269 1.00 12.40 3DFR1079 ATOM 905 CA LEU 114 -6.740 22.566 25.129 1.00 11.10 3DFR1080 ATOM 906 C LEU 114 -6.467 23.026 23.644 1.00 11.30 3DFR1081 ATOM 907 O LEU 114 -5.537 23.792 23.448 1.00 11.40 3DFR1082 ATOM 908 CB LEU 114 -6.521 23.679 26.165 1.00 8.50 3DFR1083 ATOM 909 CG LEU 114 -6.554 22.902 27.556 1.00 15.30 3DFR1084 ATOM 910 CD1 LEU 114 -6.022 23.984 28.453 1.00 16.40 3DFR1085 ATOM 911 CD2 LEU 114 -7.933 22.553 27.967 1.00 14.90 3DFR1086 ATOM 912 N VAL 115 -7.333 22.497 22.710 1.00 13.50 3DFR1087 ATOM 913 CA VAL 115 -7.085 22.790 21.272 1.00 14.30 3DFR1088 ATOM 914 C VAL 115 -8.181 23.679 20.730 1.00 14.00 3DFR1089 ATOM 915 O VAL 115 -9.306 23.362 21.011 1.00 14.30 3DFR1090 ATOM 916 CB VAL 115 -6.812 21.495 20.441 1.00 15.40 3DFR1091 ATOM 917 CG1 VAL 115 -7.858 20.543 20.553 1.00 15.80 3DFR1092 ATOM 918 CG2 VAL 115 -6.608 21.887 18.965 1.00 11.60 3DFR1093 ATOM 919 N THR 116 -7.923 24.737 19.965 1.00 11.10 3DFR1094 ATOM 920 CA THR 116 -8.950 25.484 19.264 1.00 11.00 3DFR1095 ATOM 921 C THR 116 -8.702 25.005 17.770 1.00 12.00 3DFR1096 ATOM 922 O THR 116 -7.610 25.167 17.266 1.00 14.40 3DFR1097 ATOM 923 CB THR 116 -8.666 26.947 19.227 1.00 12.60 3DFR1098 ATOM 924 OG1 THR 116 -8.537 27.445 20.628 1.00 12.10 3DFR1099 ATOM 925 CG2 THR 116 -9.827 27.874 18.601 1.00 11.70 3DFR1100 ATOM 926 N ARG 117 -9.698 24.489 17.210 1.00 8.90 3DFR1101 ATOM 927 CA ARG 117 -9.705 23.991 15.791 1.00 15.60 3DFR1102 ATOM 928 C ARG 117 -10.427 25.055 14.857 1.00 15.40 3DFR1103 ATOM 929 O ARG 117 -11.652 25.123 15.090 1.00 12.90 3DFR1104 ATOM 930 CB ARG 117 -10.369 22.640 15.679 1.00 19.10 3DFR1105 ATOM 931 CG ARG 117 -9.669 21.476 15.735 1.00 34.60 3DFR1106 ATOM 932 CD ARG 117 -10.538 20.157 15.837 1.00 20.50 3DFR1107 ATOM 933 NE ARG 117 -9.690 19.137 16.556 1.00 22.00 3DFR1108 ATOM 934 CZ ARG 117 -8.824 18.384 16.668 1.00 21.40 3DFR1109 ATOM 935 NH1 ARG 117 -8.285 18.471 15.296 1.00 18.30 3DFR1110 ATOM 936 NH2 ARG 117 -7.987 17.456 17.191 1.00 34.20 3DFR1111 ATOM 937 N LEU 118 -9.672 25.602 13.867 1.00 13.40 3DFR1112 ATOM 938 CA LEU 118 -10.323 26.604 12.914 1.00 12.00 3DFR1113 ATOM 939 C LEU 118 -10.941 25.696 11.887 1.00 12.20 3DFR1114 ATOM 940 O LEU 118 -10.254 24.769 11.458 1.00 14.50 3DFR1115 ATOM 941 CB LEU 118 -9.295 27.700 12.522 1.00 10.20 3DFR1116 ATOM 942 CG LEU 118 -9.356 28.888 13.699 1.00 15.40 3DFR1117 ATOM 943 CD1 LEU 118 -8.533 28.471 14.810 1.00 17.10 3DFR1118 ATOM 944 CD2 LEU 118 -8.174 29.579 12.821 1.00 16.30 3DFR1119 ATOM 945 N ALA 119 -12.090 26.181 11.271 1.00 15.20 3DFR1120 ATOM 946 CA ALA 119 -12.705 25.316 10.160 1.00 15.60 3DFR1121 ATOM 947 C ALA 119 -11.868 25.596 8.918 1.00 15.20 3DFR1122 ATOM 948 O ALA 119 -11.817 24.650 8.040 1.00 18.90 3DFR1123 ATOM 949 CB ALA 119 -14.113 26.001 10.029 1.00 14.70 3DFR1124 ATOM 950 N GLY 120 -11.142 26.629 8.619 1.00 13.60 3DFR1125 ATOM 951 CA GLY 120 -10.484 26.872 7.433 1.00 16.30 3DFR1126 ATOM 952 C GLY 120 -9.083 26.449 7.396 1.00 15.10 3DFR1127 ATOM 953 O GLY 120 -8.462 25.833 8.245 1.00 20.10 3DFR1128 ATOM 954 N SER 121 -8.555 26.866 6.172 1.00 15.90 3DFR1129 ATOM 955 CA SER 121 -7.136 26.474 5.892 1.00 14.90 3DFR1130 ATOM 956 C SER 121 -6.306 27.662 5.575 1.00 14.30 3DFR1131 ATOM 957 O SER 121 -6.870 28.677 4.968 1.00 16.10 3DFR1132 ATOM 958 CB SER 121 -7.362 25.546 4.697 1.00 25.30 3DFR1133 ATOM 959 OG SER 121 -6.202 25.329 4.211 1.00 25.40 3DFR1134 ATOM 960 N PHE 122 -5.088 27.880 6.107 1.00 16.00 3DFR1135 ATOM 961 CA PHE 122 -4.315 29.106 6.107 1.00 14.50 3DFR1136 ATOM 962 C PHE 122 -2.950 28.720 5.565 1.00 16.20 3DFR1137 ATOM 963 O PHE 122 -2.619 27.513 5.537 1.00 20.00 3DFR1138 ATOM 964 CB PHE 122 -4.107 29.729 7.414 1.00 17.40 3DFR1139 ATOM 965 CG PHE 122 -5.487 30.289 7.853 1.00 12.20 3DFR1140 ATOM 966 CD1 PHE 122 -6.370 29.380 8.591 1.00 16.10 3DFR1141 ATOM 967 CD2 PHE 122 -5.767 31.633 7.564 1.00 18.10 3DFR1142 ATOM 968 CE1 PHE 122 -7.664 29.915 8.908 1.00 21.70 3DFR1143 ATOM 969 CE2 PHE 122 -6.981 32.031 8.021 1.00 18.80 3DFR1144 ATOM 970 CZ PHE 122 -7.930 31.235 8.600 1.00 16.40 3DFR1145 ATOM 971 N GLU 123 -2.156 29.585 5.080 1.00 19.00 3DFR1146 ATOM 972 CA GLU 123 -.834 29.249 4.613 1.00 19.10 3DFR1147 ATOM 973 C GLU 123 .068 29.579 5.668 1.00 16.60 3DFR1148 ATOM 974 O GLU 123 -.025 30.500 6.593 1.00 14.00 3DFR1149 ATOM 975 CB GLU 123 -.798 30.407 3.408 1.00 23.00 3DFR1150 ATOM 976 CG GLU 123 .478 30.351 2.465 1.00 90.00 3DFR1151 ATOM 977 CD GLU 123 .420 31.160 1.167 1.00 98.20 3DFR1152 ATOM 978 OE1 GLU 123 -.848 31.340 .710 1.00 65.80 3DFR1153 ATOM 979 OE2 GLU 123 1.692 31.409 .971 1.00101.80 3DFR1154 ATOM 980 N GLY 124 1.096 28.832 5.958 1.00 14.30 3DFR1155 ATOM 981 CA GLY 124 2.152 29.081 6.882 1.00 12.50 3DFR1156 ATOM 982 C GLY 124 3.244 27.974 6.723 1.00 16.00 3DFR1157 ATOM 983 O GLY 124 3.338 27.077 5.864 1.00 18.50 3DFR1158 ATOM 984 N ASP 125 4.017 27.918 7.835 1.00 14.10 3DFR1159 ATOM 985 CA ASP 125 5.249 27.065 7.872 1.00 12.90 3DFR1160 ATOM 986 C ASP 125 5.451 26.256 9.170 1.00 22.40 3DFR1161 ATOM 987 O ASP 125 6.460 25.565 9.170 1.00 17.60 3DFR1162 ATOM 988 CB ASP 125 6.316 28.117 7.638 1.00 14.10 3DFR1163 ATOM 989 CG ASP 125 6.550 29.256 8.526 1.00 16.80 3DFR1164 ATOM 990 OD1 ASP 125 6.252 29.025 9.861 1.00 17.50 3DFR1165 ATOM 991 OD2 ASP 125 7.075 30.376 8.395 1.00 19.90 3DFR1166 ATOM 992 N THR 126 4.538 26.306 10.122 1.00 15.30 3DFR1167 ATOM 993 CA THR 126 4.807 25.565 11.402 1.00 12.60 3DFR1168 ATOM 994 C THR 126 3.431 24.862 11.654 1.00 13.50 3DFR1169 ATOM 995 O THR 126 2.422 25.490 11.570 1.00 12.60 3DFR1170 ATOM 996 CB THR 126 5.163 26.592 12.606 1.00 15.40 3DFR1171 ATOM 997 OG1 THR 126 6.259 27.245 11.981 1.00 17.70 3DFR1172 ATOM 998 CG2 THR 126 5.508 25.833 13.858 1.00 13.50 3DFR1173 ATOM 999 N LYS 127 3.507 23.536 11.962 1.00 12.90 3DFR1174 ATOM 1000 CA LYS 127 2.332 22.684 12.233 1.00 10.70 3DFR1175 ATOM 1001 C LYS 127 2.598 22.186 13.727 1.00 12.10 3DFR1176 ATOM 1002 O LYS 127 3.686 22.142 14.259 1.00 13.10 3DFR1177 ATOM 1003 CB LYS 127 2.156 21.570 11.243 1.00 9.90 3DFR1178 ATOM 1004 CG LYS 127 1.937 22.099 9.824 1.00 18.60 3DFR1179 ATOM 1005 CD LYS 127 1.344 20.736 9.366 1.00 27.40 3DFR1180 ATOM 1006 CE LYS 127 1.671 20.605 7.872 1.00 65.40 3DFR1181 ATOM 1007 NZ LYS 127 1.049 19.280 7.330 1.00 54.10 3DFR1182 ATOM 1008 N MET 128 1.416 21.844 14.203 1.00 14.40 3DFR1183 ATOM 1009 CA MET 128 1.383 21.153 15.557 1.00 9.30 3DFR1184 ATOM 1010 C MET 128 2.102 19.734 15.314 1.00 9.20 3DFR1185 ATOM 1011 O MET 128 2.073 18.987 14.287 1.00 13.40 3DFR1186 ATOM 1012 CB MET 128 -.047 21.016 16.127 1.00 12.40 3DFR1187 ATOM 1013 CG MET 128 -.068 20.207 17.490 1.00 9.70 3DFR1188 ATOM 1014 SD MET 128 .870 21.284 18.611 1.00 11.60 3DFR1189 ATOM 1015 CE MET 128 .553 20.400 20.142 1.00 11.40 3DFR1190 ATOM 1016 N ILE 129 2.817 19.379 16.426 1.00 12.10 3DFR1191 ATOM 1017 CA ILE 129 3.507 18.135 16.594 1.00 10.70 3DFR1192 ATOM 1018 C ILE 129 2.325 17.070 16.650 1.00 9.40 3DFR1193 ATOM 1019 O ILE 129 1.247 17.070 17.004 1.00 14.10 3DFR1194 ATOM 1020 CB ILE 129 4.495 18.016 17.826 1.00 12.10 3DFR1195 ATOM 1021 CG1 ILE 129 3.582 18.016 19.059 1.00 13.90 3DFR1196 ATOM 1022 CG2 ILE 129 5.533 19.118 17.677 1.00 11.60 3DFR1197 ATOM 1023 CD1 ILE 129 4.301 17.494 20.310 1.00 18.90 3DFR1198 ATOM 1024 N PRO 130 3.004 15.869 15.959 1.00 14.30 3DFR1199 ATOM 1025 CA PRO 130 2.055 14.712 15.987 1.00 11.20 3DFR1200 ATOM 1026 C PRO 130 1.667 14.102 17.331 1.00 14.20 3DFR1201 ATOM 1027 O PRO 130 2.623 14.102 18.228 1.00 20.90 3DFR1202 ATOM 1028 CB PRO 130 2.616 13.579 15.118 1.00 15.10 3DFR1203 ATOM 1029 CG PRO 130 3.995 13.878 14.903 1.00 15.30 3DFR1204 ATOM 1030 CD PRO 130 4.319 15.297 14.997 1.00 10.30 3DFR1205 ATOM 1031 N LEU 131 .413 13.834 17.658 1.00 16.70 3DFR1206 ATOM 1032 CA LEU 131 .230 13.280 19.068 1.00 18.60 3DFR1207 ATOM 1033 C LEU 131 -.632 12.048 18.797 1.00 17.90 3DFR1208 ATOM 1034 O LEU 131 -1.240 11.830 17.630 1.00 16.90 3DFR1209 ATOM 1035 CB LEU 131 -.672 14.307 19.862 1.00 17.10 3DFR1210 ATOM 1036 CG LEU 131 -.201 15.795 20.170 1.00 20.70 3DFR1211 ATOM 1037 CD1 LEU 131 -1.505 16.436 19.965 1.00 23.60 3DFR1212 ATOM 1038 CD2 LEU 131 .862 15.533 21.151 1.00 20.40 3DFR1213 ATOM 1039 N ASN 132 -.589 11.177 19.881 1.00 21.00 3DFR1214 ATOM 1040 CA ASN 132 -1.491 9.864 19.815 1.00 19.10 3DFR1215 ATOM 1041 C ASN 132 -2.871 10.312 20.170 1.00 17.20 3DFR1216 ATOM 1042 O ASN 132 -3.029 10.138 21.487 1.00 18.40 3DFR1217 ATOM 1043 CB ASN 132 -.668 8.825 20.553 1.00 22.70 3DFR1218 ATOM 1044 CG ASN 132 -1.602 7.493 20.291 1.00 22.00 3DFR1219 ATOM 1045 OD1 ASN 132 -2.529 7.281 19.432 1.00 30.50 3DFR1220 ATOM 1046 ND2 ASN 132 -.913 6.410 20.870 1.00 38.50 3DFR1221 ATOM 1047 N TRP 133 -3.938 10.766 19.470 1.00 16.80 3DFR1222 ATOM 1048 CA TRP 133 -5.307 11.208 19.731 1.00 22.00 3DFR1223 ATOM 1049 C TRP 133 -5.986 10.032 20.432 1.00 25.60 3DFR1224 ATOM 1050 O TRP 133 -6.927 10.256 21.123 1.00 21.30 3DFR1225 ATOM 1051 CB TRP 133 -6.000 11.737 18.517 1.00 24.60 3DFR1226 ATOM 1052 CG TRP 133 -5.343 13.100 18.190 1.00 27.50 3DFR1227 ATOM 1053 CD1 TRP 133 -4.268 13.256 17.369 1.00 19.50 3DFR1228 ATOM 1054 CD2 TRP 133 -5.508 14.295 18.900 1.00 18.40 3DFR1229 ATOM 1055 NE1 TRP 133 -3.870 14.519 17.257 1.00 19.90 3DFR1230 ATOM 1056 CE2 TRP 133 -4.682 15.253 18.088 1.00 23.00 3DFR1231 ATOM 1057 CE3 TRP 133 -6.406 14.842 19.797 1.00 15.80 3DFR1232 ATOM 1058 CZ2 TRP 133 -4.613 16.616 18.359 1.00 23.60 3DFR1233 ATOM 1059 CZ3 TRP 133 -6.392 16.236 20.095 1.00 16.90 3DFR1234 ATOM 1060 CH2 TRP 133 -5.483 17.077 19.292 1.00 16.90 3DFR1235 ATOM 1061 N ASP 134 -5.641 8.874 20.049 1.00 20.60 3DFR1236 ATOM 1062 CA ASP 134 -6.306 7.586 20.432 1.00 30.00 3DFR1237 ATOM 1063 C ASP 134 -6.043 7.455 21.935 1.00 22.10 3DFR1238 ATOM 1064 O ASP 134 -6.848 6.746 22.617 1.00 30.90 3DFR1239 ATOM 1065 CB ASP 134 -5.964 6.236 19.479 1.00 28.70 3DFR1240 ATOM 1066 CG ASP 134 -6.762 6.323 18.153 1.00 34.80 3DFR1241 ATOM 1067 OD1 ASP 134 -8.131 6.690 17.920 1.00 63.10 3DFR1242 ATOM 1068 OD2 ASP 134 -5.756 6.037 17.182 1.00 61.80 3DFR1243 ATOM 1069 N ASP 135 -5.070 7.960 22.626 1.00 19.30 3DFR1244 ATOM 1070 CA ASP 135 -4.721 7.941 24.036 1.00 16.20 3DFR1245 ATOM 1071 C ASP 135 -5.548 9.123 24.951 1.00 10.10 3DFR1246 ATOM 1072 O ASP 135 -5.332 9.111 26.146 1.00 17.90 3DFR1247 ATOM 1073 CB ASP 135 -3.309 8.184 24.531 1.00 19.50 3DFR1248 ATOM 1074 CG ASP 135 -2.432 6.827 24.223 1.00 32.00 3DFR1249 ATOM 1075 OD1 ASP 135 -3.086 5.757 23.831 1.00 45.60 3DFR1250 ATOM 1076 OD2 ASP 135 -1.175 7.238 24.484 1.00 49.30 3DFR1251 ATOM 1077 N PHE 136 -6.421 9.777 24.223 1.00 15.50 3DFR1252 ATOM 1078 CA PHE 136 -7.082 10.884 24.914 1.00 13.00 3DFR1253 ATOM 1079 C PHE 136 -8.548 10.735 24.624 1.00 20.00 3DFR1254 ATOM 1080 O PHE 136 -9.000 10.163 23.625 1.00 19.20 3DFR1255 ATOM 1081 CB PHE 136 -6.672 12.341 24.297 1.00 10.10 3DFR1256 ATOM 1082 CG PHE 136 -5.300 12.602 24.662 1.00 13.70 3DFR1257 ATOM 1083 CD1 PHE 136 -4.136 12.129 24.017 1.00 13.50 3DFR1258 ATOM 1084 CD2 PHE 136 -5.019 13.386 25.745 1.00 12.10 3DFR1259 ATOM 1085 CE1 PHE 136 -2.799 12.366 24.354 1.00 11.10 3DFR1260 ATOM 1086 CE2 PHE 136 -3.701 13.766 26.184 1.00 16.10 3DFR1261 ATOM 1087 CZ PHE 136 -2.655 13.212 25.474 1.00 16.20 3DFR1262 ATOM 1088 N THR 137 -9.399 11.326 25.483 1.00 15.70 3DFR1263 ATOM 1089 CA THR 137 -10.858 11.364 25.194 1.00 13.30 3DFR1264 ATOM 1090 C THR 137 -11.379 12.801 24.904 1.00 10.10 3DFR1265 ATOM 1091 O THR 137 -10.808 13.604 25.820 1.00 14.10 3DFR1266 ATOM 1092 CB THR 137 -11.728 10.841 26.492 1.00 17.80 3DFR1267 ATOM 1093 OG1 THR 137 -11.390 9.522 26.417 1.00 21.50 3DFR1268 ATOM 1094 CG2 THR 137 -13.265 10.940 26.380 1.00 16.60 3DFR1269 ATOM 1095 N LYS 138 -12.245 13.318 23.989 1.00 15.80 3DFR1270 ATOM 1096 CA LYS 138 -12.647 14.637 23.971 1.00 15.70 3DFR1271 ATOM 1097 C LYS 138 -13.704 14.774 24.998 1.00 12.40 3DFR1272 ATOM 1098 O LYS 138 -14.879 14.295 24.811 1.00 18.50 3DFR1273 ATOM 1099 CB LYS 138 -13.193 14.861 22.514 1.00 15.40 3DFR1274 ATOM 1100 CG LYS 138 -13.431 16.392 22.299 1.00 14.50 3DFR1275 ATOM 1101 CD LYS 138 -13.901 16.647 20.898 1.00 18.80 3DFR1276 ATOM 1102 CE LYS 138 -15.198 16.019 20.469 1.00 28.30 3DFR1277 ATOM 1103 NZ LYS 138 -15.040 16.019 18.863 1.00 32.10 3DFR1278 ATOM 1104 N VAL 139 -13.488 15.471 26.053 1.00 11.90 3DFR1279 ATOM 1105 CA VAL 139 -14.469 15.676 27.118 1.00 12.30 3DFR1280 ATOM 1106 C VAL 139 -15.432 16.734 26.809 1.00 14.00 3DFR1281 ATOM 1107 O VAL 139 -16.607 16.765 27.276 1.00 14.40 3DFR1282 ATOM 1108 CB VAL 139 -13.596 15.956 28.500 1.00 17.70 3DFR1283 ATOM 1109 CG1 VAL 139 -14.419 16.361 29.611 1.00 18.00 3DFR1284 ATOM 1110 CG2 VAL 139 -13.086 14.525 28.957 1.00 18.30 3DFR1285 ATOM 1111 N SER 140 -14.986 17.879 26.174 1.00 11.10 3DFR1286 ATOM 1112 CA SER 140 -15.834 19.074 26.044 1.00 11.90 3DFR1287 ATOM 1113 C SER 140 -15.533 19.535 24.634 1.00 15.40 3DFR1288 ATOM 1114 O SER 140 -14.390 19.547 24.167 1.00 13.80 3DFR1289 ATOM 1115 CB SER 140 -14.968 20.263 26.903 1.00 17.20 3DFR1290 ATOM 1116 OG SER 140 -16.143 20.817 26.959 1.00 26.10 3DFR1291 ATOM 1117 N SER 141 -16.614 20.101 24.036 1.00 12.70 3DFR1292 ATOM 1118 CA SER 141 -16.424 20.755 22.701 1.00 13.40 3DFR1293 ATOM 1119 C SER 141 -17.340 21.906 22.654 1.00 16.80 3DFR1294 ATOM 1120 O SER 141 -18.569 21.856 23.140 1.00 15.80 3DFR1295 ATOM 1121 CB SER 141 -16.919 19.622 21.758 1.00 23.50 3DFR1296 ATOM 1122 OG SER 141 -16.679 20.400 20.525 1.00 27.50 3DFR1297 ATOM 1123 N ARG 142 -16.981 23.151 22.262 1.00 14.10 3DFR1298 ATOM 1124 CA ARG 142 -17.958 24.358 22.262 1.00 11.10 3DFR1299 ATOM 1125 C ARG 142 -17.519 24.943 20.786 1.00 17.00 3DFR1300 ATOM 1126 O ARG 142 -16.363 25.291 20.609 1.00 15.80 3DFR1301 ATOM 1127 CB ARG 142 -17.469 25.316 23.270 1.00 18.90 3DFR1302 ATOM 1128 CG ARG 142 -18.508 26.343 23.261 1.00 26.50 3DFR1303 ATOM 1129 CD ARG 142 -18.213 27.140 24.540 1.00 28.40 3DFR1304 ATOM 1130 NE ARG 142 -16.862 27.513 25.045 1.00 48.70 3DFR1305 ATOM 1131 CZ ARG 142 -16.650 28.951 24.522 1.00 44.10 3DFR1306 ATOM 1132 NH1 ARG 142 -17.559 29.691 23.681 1.00 43.80 3DFR1307 ATOM 1133 NH2 ARG 142 -15.425 29.330 25.035 1.00 35.50 3DFR1308 ATOM 1134 N THR 143 -18.468 25.217 19.955 1.00 17.80 3DFR1309 ATOM 1135 CA THR 143 -18.242 25.883 18.685 1.00 16.60 3DFR1310 ATOM 1136 C THR 143 -18.712 27.320 18.573 1.00 21.20 3DFR1311 ATOM 1137 O THR 143 -19.726 27.756 19.068 1.00 21.90 3DFR1312 ATOM 1138 CB THR 143 -18.982 25.210 17.453 1.00 25.40 3DFR1313 ATOM 1139 OG1 THR 143 -18.479 23.804 17.509 1.00 20.90 3DFR1314 ATOM 1140 CG2 THR 143 -18.597 25.739 16.024 1.00 20.40 3DFR1315 ATOM 1141 N VAL 144 -17.882 28.210 18.041 1.00 18.60 3DFR1316 ATOM 1142 CA VAL 144 -18.091 29.691 17.854 1.00 17.00 3DFR1317 ATOM 1143 C VAL 144 -18.026 29.977 16.248 1.00 21.70 3DFR1318 ATOM 1144 O VAL 144 -16.981 29.809 15.594 1.00 17.50 3DFR1319 ATOM 1145 CB VAL 144 -17.182 30.681 18.648 1.00 22.50 3DFR1320 ATOM 1146 CG1 VAL 144 -17.487 32.168 18.489 1.00 15.80 3DFR1321 ATOM 1147 CG2 VAL 144 -17.246 30.096 19.918 1.00 18.10 3DFR1322 ATOM 1148 N GLU 145 -19.165 30.594 15.865 1.00 16.70 3DFR1323 ATOM 1149 CA GLU 145 -19.169 30.824 14.399 1.00 18.00 3DFR1324 ATOM 1150 C GLU 145 -18.737 32.218 14.250 1.00 17.80 3DFR1325 ATOM 1151 O GLU 145 -18.676 33.070 15.081 1.00 19.30 3DFR1326 ATOM 1152 CB GLU 145 -20.688 30.855 13.848 1.00 21.30 3DFR1327 ATOM 1153 CG GLU 145 -21.306 29.249 13.428 1.00 29.90 3DFR1328 ATOM 1154 CD GLU 145 -22.884 29.654 13.129 1.00 92.30 3DFR1329 ATOM 1155 OE1 GLU 145 -22.884 30.052 11.775 1.00103.80 3DFR1330 ATOM 1156 OE2 GLU 145 -24.019 29.691 14.100 1.00 83.80 3DFR1331 ATOM 1157 N ASP 146 -17.915 32.398 13.167 1.00 10.30 3DFR1332 ATOM 1158 CA ASP 146 -17.343 33.761 12.849 1.00 8.60 3DFR1333 ATOM 1159 C ASP 146 -17.976 34.234 11.392 1.00 14.70 3DFR1334 ATOM 1160 O ASP 146 -18.296 33.294 10.617 1.00 16.70 3DFR1335 ATOM 1161 CB ASP 146 -15.852 33.581 12.700 1.00 10.20 3DFR1336 ATOM 1162 CG ASP 146 -15.162 34.875 12.830 1.00 12.10 3DFR1337 ATOM 1163 OD1 ASP 146 -14.645 35.385 13.792 1.00 25.00 3DFR1338 ATOM 1164 OD2 ASP 146 -15.015 35.566 11.663 1.00 16.00 3DFR1339 ATOM 1165 N THR 147 -18.105 35.566 11.056 1.00 17.70 3DFR1340 ATOM 1166 CA THR 147 -18.554 35.970 9.777 1.00 19.10 3DFR1341 ATOM 1167 C THR 147 -17.516 35.703 8.675 1.00 15.20 3DFR1342 ATOM 1168 O THR 147 -17.936 35.572 7.536 1.00 21.30 3DFR1343 ATOM 1169 CB THR 147 -18.852 37.520 9.852 1.00 15.90 3DFR1344 ATOM 1170 OG1 THR 147 -17.800 38.186 10.440 1.00 18.90 3DFR1345 ATOM 1171 CG2 THR 147 -20.168 37.582 10.804 1.00 16.00 3DFR1346 ATOM 1172 N ASN 148 -16.226 35.510 9.011 1.00 15.50 3DFR1347 ATOM 1173 CA ASN 148 -15.259 34.869 7.993 1.00 16.00 3DFR1348 ATOM 1174 C ASN 148 -15.443 33.319 8.544 1.00 17.70 3DFR1349 ATOM 1175 O ASN 148 -15.004 32.685 9.338 1.00 16.00 3DFR1350 ATOM 1176 CB ASN 148 -13.826 35.298 8.096 1.00 13.70 3DFR1351 ATOM 1177 CG ASN 148 -12.989 34.396 7.302 1.00 9.00 3DFR1352 ATOM 1178 OD1 ASN 148 -13.132 33.462 6.611 1.00 15.30 3DFR1353 ATOM 1179 ND2 ASN 148 -11.792 34.863 7.564 1.00 14.40 3DFR1354 ATOM 1180 N PRO 149 -16.068 32.647 7.349 1.00 14.60 3DFR1355 ATOM 1181 CA PRO 149 -16.212 31.228 7.788 1.00 12.70 3DFR1356 ATOM 1182 C PRO 149 -14.950 30.363 7.965 1.00 18.90 3DFR1357 ATOM 1183 O PRO 149 -15.080 29.218 8.656 1.00 17.50 3DFR1358 ATOM 1184 CB PRO 149 -17.113 30.351 6.789 1.00 13.40 3DFR1359 ATOM 1185 CG PRO 149 -16.657 31.116 5.706 1.00 30.00 3DFR1360 ATOM 1186 CD PRO 149 -16.747 32.691 5.790 1.00 19.60 3DFR1361 ATOM 1187 N ALA 150 -13.768 30.643 7.592 1.00 16.80 3DFR1362 ATOM 1188 CA ALA 150 -12.425 30.009 7.760 1.00 12.80 3DFR1363 ATOM 1189 C ALA 150 -12.123 30.071 9.263 1.00 12.80 3DFR1364 ATOM 1190 O ALA 150 -11.289 29.436 9.880 1.00 15.40 3DFR1365 ATOM 1191 CB ALA 150 -11.426 30.718 6.798 1.00 14.00 3DFR1366 ATOM 1192 N LEU 151 -12.708 31.073 10.057 1.00 11.10 3DFR1367 ATOM 1193 CA LEU 151 -12.461 31.564 11.383 1.00 18.00 3DFR1368 ATOM 1194 C LEU 151 -13.366 30.905 12.485 1.00 14.60 3DFR1369 ATOM 1195 O LEU 151 -13.276 31.098 13.671 1.00 19.70 3DFR1370 ATOM 1196 CB LEU 151 -12.216 33.021 11.626 1.00 10.70 3DFR1371 ATOM 1197 CG LEU 151 -10.926 33.612 10.935 1.00 10.90 3DFR1372 ATOM 1198 CD1 LEU 151 -11.095 35.137 11.224 1.00 12.60 3DFR1373 ATOM 1199 CD2 LEU 151 -9.683 32.790 11.448 1.00 13.50 3DFR1374 ATOM 1200 N THR 152 -14.473 30.295 11.999 1.00 11.20 3DFR1375 ATOM 1201 CA THR 152 -15.410 29.504 12.774 1.00 13.60 3DFR1376 ATOM 1202 C THR 152 -14.480 28.366 13.512 1.00 13.60 3DFR1377 ATOM 1203 O THR 152 -13.596 27.768 12.877 1.00 15.00 3DFR1378 ATOM 1204 CB THR 152 -16.531 28.783 11.906 1.00 14.60 3DFR1379 ATOM 1205 OG1 THR 152 -17.408 29.816 11.495 1.00 16.10 3DFR1380 ATOM 1206 CG2 THR 152 -17.304 27.731 12.802 1.00 13.50 3DFR1381 ATOM 1207 N HIS 153 -14.688 28.341 14.754 1.00 13.70 3DFR1382 ATOM 1208 CA HIS 153 -13.747 27.469 15.594 1.00 11.60 3DFR1383 ATOM 1209 C HIS 153 -14.437 26.698 16.678 1.00 17.80 3DFR1384 ATOM 1210 O HIS 153 -15.342 27.183 17.275 1.00 13.60 3DFR1385 ATOM 1211 CB HIS 153 -12.611 28.478 16.127 1.00 12.60 3DFR1386 ATOM 1212 CG HIS 153 -13.061 29.679 16.799 1.00 15.50 3DFR1387 ATOM 1213 ND1 HIS 153 -13.650 30.811 16.155 1.00 11.60 3DFR1388 ATOM 1214 CD2 HIS 153 -13.240 30.089 18.097 1.00 12.90 3DFR1389 ATOM 1215 CE1 HIS 153 -13.984 31.676 17.098 1.00 20.30 3DFR1390 ATOM 1216 NE2 HIS 153 -13.682 31.315 18.284 1.00 14.00 3DFR1391 ATOM 1217 N THR 154 -13.772 25.683 17.079 1.00 14.00 3DFR1392 ATOM 1218 CA THR 154 -14.340 24.787 18.097 1.00 8.70 3DFR1393 ATOM 1219 C THR 154 -13.226 24.713 19.227 1.00 11.60 3DFR1394 ATOM 1220 O THR 154 -12.076 24.302 18.937 1.00 15.20 3DFR1395 ATOM 1221 CB THR 154 -14.498 23.343 17.499 1.00 11.80 3DFR1396 ATOM 1222 OG1 THR 154 -15.554 23.567 16.482 1.00 20.40 3DFR1397 ATOM 1223 CG2 THR 154 -15.213 22.404 18.545 1.00 13.20 3DFR1398 ATOM 1224 N TYR 155 -13.635 24.999 20.450 1.00 12.90 3DFR1399 ATOM 1225 CA TYR 155 -12.723 24.787 21.673 1.00 11.00 3DFR1400 ATOM 1226 C TYR 155 -12.978 23.337 22.178 1.00 11.60 3DFR1401 ATOM 1227 O TYR 155 -14.088 22.970 22.477 1.00 12.40 3DFR1402 ATOM 1228 CB TYR 155 -13.050 25.814 22.663 1.00 11.40 3DFR1403 ATOM 1229 CG TYR 155 -12.942 27.308 22.280 1.00 10.60 3DFR1404 ATOM 1230 CD1 TYR 155 -11.595 27.662 22.094 1.00 12.10 3DFR1405 ATOM 1231 CD2 TYR 155 -14.027 28.142 22.000 1.00 13.80 3DFR1406 ATOM 1232 CE1 TYR 155 -11.343 29.019 21.739 1.00 11.10 3DFR1407 ATOM 1233 CE2 TYR 155 -13.808 29.442 21.795 1.00 10.90 3DFR1408 ATOM 1234 CZ TYR 155 -12.486 29.878 21.702 1.00 11.90 3DFR1409 ATOM 1235 OH TYR 155 -12.169 31.197 21.328 1.00 14.90 3DFR1410 ATOM 1236 N GLU 156 -11.907 22.516 22.178 1.00 11.40 3DFR1411 ATOM 1237 CA GLU 156 -11.986 21.147 22.654 1.00 11.30 3DFR1412 ATOM 1238 C GLU 156 -11.034 21.041 23.887 1.00 15.60 3DFR1413 ATOM 1239 O GLU 156 -9.974 21.682 23.943 1.00 12.40 3DFR1414 ATOM 1240 CB GLU 156 -11.584 20.176 21.543 1.00 9.30 3DFR1415 ATOM 1241 CG GLU 156 -12.435 20.481 20.198 1.00 16.60 3DFR1416 ATOM 1242 CD GLU 156 -11.843 19.529 19.171 1.00 18.70 3DFR1417 ATOM 1243 OE1 GLU 156 -10.757 18.956 19.208 1.00 19.70 3DFR1418 ATOM 1244 OE2 GLU 156 -12.662 19.280 18.256 1.00 24.70 3DFR1419 ATOM 1245 N VAL 157 -11.562 20.163 24.783 1.00 11.50 3DFR1420 ATOM 1246 CA VAL 157 -10.732 19.746 26.006 1.00 7.80 3DFR1421 ATOM 1247 C VAL 157 -10.484 18.222 25.894 1.00 10.30 3DFR1422 ATOM 1248 O VAL 157 -11.623 17.668 25.792 1.00 12.80 3DFR1423 ATOM 1249 CB VAL 157 -11.304 20.163 27.407 1.00 9.90 3DFR1424 ATOM 1250 CG1 VAL 157 -10.405 19.529 28.481 1.00 13.60 3DFR1425 ATOM 1251 CG2 VAL 157 -11.562 21.669 27.388 1.00 10.20 3DFR1426 ATOM 1252 N TRP 158 -9.270 17.774 25.848 1.00 9.90 3DFR1427 ATOM 1253 CA TRP 158 -9.112 16.392 25.745 1.00 8.90 3DFR1428 ATOM 1254 C TRP 158 -8.307 15.944 26.987 1.00 10.00 3DFR1429 ATOM 1255 O TRP 158 -7.405 16.672 27.332 1.00 13.10 3DFR1430 ATOM 1256 CB TRP 158 -8.239 15.851 24.550 1.00 8.10 3DFR1431 ATOM 1257 CG TRP 158 -8.950 16.212 23.242 1.00 9.80 3DFR1432 ATOM 1258 CD1 TRP 158 -9.062 17.525 22.654 1.00 17.90 3DFR1433 ATOM 1259 CD2 TRP 158 -9.349 15.259 22.243 1.00 12.90 3DFR1434 ATOM 1260 NE1 TRP 158 -9.687 17.487 21.440 1.00 16.30 3DFR1435 ATOM 1261 CE2 TRP 158 -9.748 16.149 21.235 1.00 12.10 3DFR1436 ATOM 1262 CE3 TRP 158 -9.313 13.878 22.243 1.00 18.20 3DFR1437 ATOM 1263 CZ2 TRP 158 -10.244 15.564 20.049 1.00 16.00 3DFR1438 ATOM 1264 CZ3 TRP 158 -9.737 13.231 21.039 1.00 20.10 3DFR1439 ATOM 1265 CH2 TRP 158 -10.308 14.108 19.937 1.00 18.70 3DFR1440 ATOM 1266 N GLN 159 -8.663 14.780 27.538 1.00 12.20 3DFR1441 ATOM 1267 CA GLN 159 -7.923 14.332 28.752 1.00 13.90 3DFR1442 ATOM 1268 C GLN 159 -7.506 12.888 28.416 1.00 13.30 3DFR1443 ATOM 1269 O GLN 159 -8.091 12.086 27.715 1.00 12.20 3DFR1444 ATOM 1270 CB GLN 159 -8.875 14.264 29.919 1.00 12.30 3DFR1445 ATOM 1271 CG GLN 159 -8.835 15.801 30.675 1.00 24.50 3DFR1446 ATOM 1272 CD GLN 159 -10.068 15.608 31.404 1.00 33.20 3DFR1447 ATOM 1273 OE1 GLN 159 -10.635 14.587 31.973 1.00 42.20 3DFR1448 ATOM 1274 NE2 GLN 159 -10.682 16.797 31.852 1.00 38.70 3DFR1449 ATOM 1275 N LYS 160 -6.266 12.583 28.882 1.00 10.80 3DFR1450 ATOM 1276 CA LYS 160 -5.469 11.351 28.677 1.00 10.00 3DFR1451 ATOM 1277 C LYS 160 -6.212 10.125 29.349 1.00 10.90 3DFR1452 ATOM 1278 O LYS 160 -6.740 10.343 30.479 1.00 15.30 3DFR1453 ATOM 1279 CB LYS 160 -4.024 11.476 29.265 1.00 13.50 3DFR1454 ATOM 1280 CG LYS 160 -3.032 10.505 28.677 1.00 17.80 3DFR1455 ATOM 1281 CD LYS 160 -1.664 10.698 29.377 1.00 28.60 3DFR1456 ATOM 1282 CE LYS 160 -.776 9.646 28.612 1.00 50.40 3DFR1457 ATOM 1283 NZ LYS 160 .384 9.391 29.517 1.00 76.60 3DFR1458 ATOM 1284 N LYS 161 -6.511 9.061 28.612 1.00 18.80 3DFR1459 ATOM 1285 CA LYS 161 -7.164 7.829 29.172 1.00 16.70 3DFR1460 ATOM 1286 C LYS 161 -6.406 7.151 30.349 1.00 25.90 3DFR1461 ATOM 1287 O LYS 161 -5.131 7.468 30.320 1.00 23.50 3DFR1462 ATOM 1288 CB LYS 161 -7.412 6.964 27.893 1.00 16.90 3DFR1463 ATOM 1289 CG LYS 161 -8.382 7.524 26.856 1.00 21.00 3DFR1464 ATOM 1290 CD LYS 161 -8.081 6.342 25.782 1.00 20.40 3DFR1465 ATOM 1291 CE LYS 161 -9.198 6.696 25.017 1.00 31.00 3DFR1466 ATOM 1292 NZ LYS 161 -9.777 6.541 23.653 1.00 49.50 3DFR1467 ATOM 1293 N ALA 162 -6.805 6.335 31.469 1.00 51.00 3DFR1468 ATOM 1294 CA ALA 162 -5.957 5.501 32.394 1.00 40.70 3DFR1469 ATOM 1295 C ALA 162 -5.005 4.487 31.460 1.00 97.90 3DFR1470 ATOM 1296 O ALA 162 -3.629 4.294 31.469 1.00 82.40 3DFR1471 ATOM 1297 CB ALA 162 -6.751 4.400 33.019 1.00 37.10 3DFR1472 ATOM 1298 OXT ALA 162 -5.778 3.908 30.489 1.00 59.50 3DFR1473 TER 1299 ALA 162 3DFR1474 HETATM 1300 AP NDP 1 9.248 28.142 19.825 1.00 13.00 3DFR1475 HETATM 1301 AO1 NDP 1 8.957 26.741 20.217 1.00 11.70 3DFR1476 HETATM 1302 AO2 NDP 1 8.293 29.175 20.245 1.00 13.90 3DFR1477 HETATM 1303 AO5* NDP 1 10.754 28.695 20.207 1.00 16.00 3DFR1478 HETATM 1304 AC5* NDP 1 12.008 27.905 19.937 1.00 12.50 3DFR1479 HETATM 1305 AC4* NDP 1 13.165 28.552 20.833 1.00 11.70 3DFR1480 HETATM 1306 AO4* NDP 1 12.935 27.905 21.954 1.00 17.30 3DFR1481 HETATM 1307 AC3* NDP 1 14.498 27.874 20.291 1.00 11.70 3DFR1482 HETATM 1308 AO3* NDP 1 14.825 28.776 19.162 1.00 14.00 3DFR1483 HETATM 1309 AC2* NDP 1 15.195 28.086 21.711 1.00 17.90 3DFR1484 HETATM 1310 AO2* NDP 1 15.450 29.486 21.832 1.00 23.50 3DFR1485 HETATM 1311 AC1* NDP 1 14.178 27.606 22.701 1.00 17.30 3DFR1486 HETATM 1312 AN9 NDP 1 14.225 26.206 22.915 1.00 17.40 3DFR1487 HETATM 1313 AC8 NDP 1 13.679 25.161 22.252 1.00 14.60 3DFR1488 HETATM 1314 AN7 NDP 1 13.664 24.003 22.757 1.00 20.20 3DFR1489 HETATM 1315 AC5 NDP 1 14.570 24.202 23.849 1.00 18.40 3DFR1490 HETATM 1316 AC6 NDP 1 14.994 23.219 25.007 1.00 22.70 3DFR1491 HETATM 1317 AN6 NDP 1 14.638 21.931 25.017 1.00 27.30 3DFR1492 HETATM 1318 AN1 NDP 1 15.590 23.879 25.904 1.00 29.30 3DFR1493 HETATM 1319 AC2 NDP 1 15.752 25.266 25.866 1.00 25.00 3DFR1494 HETATM 1320 AN3 NDP 1 15.533 26.219 24.923 1.00 17.70 3DFR1495 HETATM 1321 AC4 NDP 1 14.717 25.553 23.980 1.00 16.10 3DFR1496 HETATM 1322 O3 NDP 1 9.349 28.316 18.237 1.00 16.90 3DFR1497 HETATM 1323 NP NDP 1 8.875 27.457 16.958 1.00 15.60 3DFR1498 HETATM 1324 NO1 NDP 1 8.839 26.038 17.163 1.00 14.10 3DFR1499 HETATM 1325 NO2 NDP 1 9.378 28.266 15.763 1.00 14.40 3DFR1500 HETATM 1326 NO5* NDP 1 7.337 28.030 16.976 1.00 14.90 3DFR1501 HETATM 1327 NC5* NDP 1 6.895 29.467 16.902 1.00 14.30 3DFR1502 HETATM 1328 NC4* NDP 1 5.842 29.448 15.772 1.00 13.00 3DFR1503 HETATM 1329 NO4* NDP 1 4.628 28.839 16.388 1.00 16.60 3DFR1504 HETATM 1330 NC3* NDP 1 5.436 30.898 15.436 1.00 12.40 3DFR1505 HETATM 1331 NO3* NDP 1 4.901 31.042 14.119 1.00 14.80 3DFR1506 HETATM 1332 NC2* NDP 1 4.301 31.110 16.435 1.00 14.60 3DFR1507 HETATM 1333 NO2* NDP 1 3.431 32.180 15.968 1.00 14.50 3DFR1508 HETATM 1334 NC1* NDP 1 3.571 29.772 16.463 1.00 17.10 3DFR1509 HETATM 1335 NN1 NDP 1 2.583 29.529 17.611 1.00 16.70 3DFR1510 HETATM 1336 NC2 NDP 1 1.272 29.336 17.583 1.00 14.30 3DFR1511 HETATM 1337 NC3 NDP 1 .564 28.758 18.489 1.00 14.30 3DFR1512 HETATM 1338 NC7 NDP 1 -.801 28.720 18.050 1.00 10.80 3DFR1513 HETATM 1339 NO7 NDP 1 -1.423 28.204 19.087 1.00 12.10 3DFR1514 HETATM 1340 NN7 NDP 1 -1.304 28.708 16.790 1.00 16.50 3DFR1515 HETATM 1341 NC4 NDP 1 1.150 28.789 19.862 1.00 13.40 3DFR1516 HETATM 1342 NC5 NDP 1 2.526 29.181 19.983 1.00 17.80 3DFR1517 HETATM 1343 NC6 NDP 1 3.291 29.548 18.881 1.00 11.10 3DFR1518 HETATM 1344 AP2* NDP 1 16.898 30.289 21.617 1.00 17.70 3DFR1519 HETATM 1345 AOP1 NDP 1 16.535 31.664 22.187 1.00 18.30 3DFR1520 HETATM 1346 AOP2 NDP 1 17.879 29.212 22.066 1.00 19.10 3DFR1521 HETATM 1347 AOP3 NDP 1 16.869 30.351 20.039 1.00 22.60 3DFR1522 HETATM 1348 N1 MTX 2 -4.322 30.550 21.011 1.00 12.40 3DFR1523 HETATM 1349 C2 MTX 2 -4.394 29.355 21.739 1.00 7.80 3DFR1524 HETATM 1350 NA2 MTX 2 -5.645 28.807 21.860 1.00 9.00 3DFR1525 HETATM 1351 N3 MTX 2 -3.288 28.783 22.252 1.00 12.10 3DFR1526 HETATM 1352 C4 MTX 2 -2.019 29.274 22.234 1.00 8.20 3DFR1527 HETATM 1353 NA4 MTX 2 -.974 28.708 22.785 1.00 9.10 3DFR1528 HETATM 1354 C4A MTX 2 -1.933 30.569 21.533 1.00 12.70 3DFR1529 HETATM 1355 N5 MTX 2 -.758 31.235 21.496 1.00 13.70 3DFR1530 HETATM 1356 C6 MTX 2 -.765 32.405 20.842 1.00 13.40 3DFR1531 HETATM 1357 C7 MTX 2 -1.944 32.803 20.217 1.00 14.60 3DFR1532 HETATM 1358 N8 MTX 2 -3.054 32.324 20.235 1.00 12.30 3DFR1533 HETATM 1359 C8A MTX 2 -3.083 31.116 20.898 1.00 11.90 3DFR1534 HETATM 1360 C9 MTX 2 .640 33.021 20.684 1.00 16.00 3DFR1535 HETATM 1361 N10 MTX 2 .578 34.384 20.488 1.00 18.40 3DFR1536 HETATM 1362 CM MTX 2 1.308 34.813 19.227 1.00 17.40 3DFR1537 HETATM 1363 C11 MTX 2 -1.279 37.203 22.934 1.00 21.20 3DFR1538 HETATM 1364 C12 MTX 2 -.862 37.551 21.655 1.00 17.90 3DFR1539 HETATM 1365 C13 MTX 2 -.194 36.854 20.712 1.00 18.50 3DFR1540 HETATM 1366 C14 MTX 2 .032 35.404 21.207 1.00 17.70 3DFR1541 HETATM 1367 C15 MTX 2 -.553 35.049 22.533 1.00 15.00 3DFR1542 HETATM 1368 C16 MTX 2 -1.229 35.834 23.289 1.00 18.00 3DFR1543 HETATM 1369 C MTX 2 -1.965 38.130 23.541 1.00 28.80 3DFR1544 HETATM 1370 O MTX 2 -2.138 39.337 23.429 1.00 26.60 3DFR1545 HETATM 1371 N MTX 2 -2.925 37.974 24.419 1.00 22.60 3DFR1546 HETATM 1372 CA MTX 2 -3.571 38.572 25.455 1.00 31.40 3DFR1547 HETATM 1373 CT MTX 2 -3.410 37.769 26.744 1.00 24.60 3DFR1548 HETATM 1374 O1 MTX 2 -3.349 36.580 27.005 1.00 22.80 3DFR1549 HETATM 1375 O2 MTX 2 -3.607 38.634 27.799 1.00 21.60 3DFR1550 HETATM 1376 CB MTX 2 -5.120 38.852 25.539 1.00 27.70 3DFR1551 HETATM 1377 CG MTX 2 -5.745 39.848 24.643 1.00 54.70 3DFR1552 HETATM 1378 CD MTX 2 -7.132 39.910 23.719 1.00 37.70 3DFR1553 HETATM 1379 OE1 MTX 2 -7.290 40.706 22.617 1.00 55.60 3DFR1554 HETATM 1380 OE2 MTX 2 -7.707 39.325 24.755 1.00 31.50 3DFR1555 ATOM 1 N1 LIG I 99 -4.221 30.688 21.310 ATOM 2 C2 LIG I 99 -4.291 29.541 22.113 ATOM 3 NA2 LIG I 99 -5.545 29.018 22.294 ATOM 4 N3 LIG I 99 -3.181 28.988 22.637 ATOM 5 C4 LIG I 99 -1.907 29.460 22.562 ATOM 6 NA4 LIG I 99 -0.857 28.916 23.125 ATOM 7 C4A LIG I 99 -1.821 30.708 21.780 ATOM 8 N5 LIG I 99 -0.639 31.355 21.677 ATOM 9 C6 LIG I 99 -0.647 32.482 20.952 ATOM 10 C7 LIG I 99 -1.835 32.856 20.328 ATOM 11 N8 LIG I 99 -2.949 32.394 20.399 ATOM 12 C8A LIG I 99 -2.978 31.229 21.136 ATOM 13 C9 LIG I 99 0.761 33.069 20.726 ATOM 14 N10 LIG I 99 0.711 34.418 20.447 ATOM 15 CM LIG I 99 1.418 34.758 19.147 ATOM 16 C11 LIG I 99 -1.059 37.407 22.751 ATOM 17 C12 LIG I 99 -0.666 37.670 21.444 ATOM 18 C13 LIG I 99 -0.027 36.907 20.533 ATOM 19 C14 LIG I 99 0.193 35.487 21.112 ATOM 20 C15 LIG I 99 -0.367 35.223 22.470 ATOM 21 C16 LIG I 99 -1.018 36.062 23.190 ATOM 22 C LIG I 99 -1.721 38.379 23.313 ATOM 23 O LIG I 99 -1.882 39.579 23.130 ATOM 24 N LIG I 99 -2.664 38.290 24.219 ATOM 25 CA LIG I 99 -3.280 38.959 25.229 ATOM 26 CT LIG I 99 -3.100 38.236 26.562 ATOM 27 O1 LIG I 99 -3.047 37.065 26.895 ATOM 28 O2 LIG I 99 -3.264 39.167 27.565 ATOM 29 CB LIG I 99 -4.823 39.264 25.328 ATOM 30 CG LIG I 99 -5.456 40.211 24.385 ATOM 31 CD LIG I 99 -6.862 40.233 23.489 ATOM 32 OE1 LIG I 99 -7.034 40.961 22.343 ATOM 33 OE2 LIG I 99 -7.421 39.721 24.571 END 3DFR1924