ATOM 171 N ARG A 25 0.855 -8.421 -3.855 1.00 0.54 N ATOM 172 CA ARG A 25 1.082 -7.041 -4.265 1.00 0.12 C ATOM 173 C ARG A 25 1.108 -6.138 -3.036 1.00 0.03 C ATOM 174 O ARG A 25 2.059 -5.390 -2.819 1.00 0.07 O ATOM 175 CB ARG A 25 -0.017 -6.580 -5.227 1.00 0.57 C ATOM 176 CG ARG A 25 0.272 -5.239 -5.880 1.00 1.18 C ATOM 177 CD ARG A 25 -0.887 -4.775 -6.746 1.00 1.47 C ATOM 178 NE ARG A 25 -0.514 -3.635 -7.579 1.00 2.21 N ATOM 179 CZ ARG A 25 -1.380 -2.795 -8.146 1.00 2.75 C ATOM 180 NH1 ARG A 25 -2.682 -2.908 -7.924 1.00 2.84 N1+ ATOM 181 NH2 ARG A 25 -0.928 -1.828 -8.924 1.00 3.57 N ATOM 182 H ARG A 25 -0.018 -8.839 -4.029 1.00 0.88 H ATOM 183 HA ARG A 25 2.038 -6.989 -4.762 1.00 0.42 H ATOM 184 HB2 ARG A 25 -0.130 -7.319 -6.007 1.00 1.13 H ATOM 185 HB3 ARG A 25 -0.946 -6.499 -4.683 1.00 1.34 H ATOM 186 HG2 ARG A 25 0.449 -4.504 -5.108 1.00 1.83 H ATOM 187 HG3 ARG A 25 1.154 -5.333 -6.496 1.00 1.66 H ATOM 188 HD2 ARG A 25 -1.195 -5.591 -7.383 1.00 1.61 H ATOM 189 HD3 ARG A 25 -1.707 -4.489 -6.105 1.00 1.83 H ATOM 190 HE ARG A 25 0.444 -3.500 -7.746 1.00 2.61 H ATOM 191 HH11 ARG A 25 -3.034 -3.629 -7.315 1.00 2.62 H ATOM 192 HH12 ARG A 25 -3.326 -2.275 -8.370 1.00 3.41 H ATOM 193 HH21 ARG A 25 0.068 -1.732 -9.081 1.00 3.91 H ATOM 194 HH22 ARG A 25 -1.565 -1.185 -9.368 1.00 4.01 H ATOM 195 N GLU A 26 0.064 -6.247 -2.223 1.00 0.00 N ATOM 196 CA GLU A 26 -0.045 -5.476 -0.960 1.00 0.00 C ATOM 197 C GLU A 26 1.118 -5.773 -0.002 1.00 0.00 C ATOM 198 O GLU A 26 1.728 -4.839 0.518 1.00 0.00 O ATOM 199 CB GLU A 26 -1.387 -5.749 -0.277 1.00 0.04 C ATOM 200 CG GLU A 26 -1.595 -4.947 0.995 1.00 1.19 C ATOM 201 CD GLU A 26 -2.929 -5.230 1.644 1.00 1.92 C ATOM 202 OE1 GLU A 26 -3.070 -6.284 2.292 1.00 2.56 O1- ATOM 203 OE2 GLU A 26 -3.848 -4.399 1.509 1.00 2.45 O ATOM 204 H GLU A 26 -0.649 -6.866 -2.463 1.00 0.00 H ATOM 205 HA GLU A 26 -0.003 -4.428 -1.223 1.00 0.02 H ATOM 206 HB2 GLU A 26 -2.183 -5.504 -0.965 1.00 0.90 H ATOM 207 HB3 GLU A 26 -1.446 -6.799 -0.031 1.00 0.91 H ATOM 208 HG2 GLU A 26 -0.812 -5.195 1.695 1.00 1.89 H ATOM 209 HG3 GLU A 26 -1.543 -3.895 0.755 1.00 1.78 H ATOM 210 N PRO A 27 1.442 -7.069 0.245 1.00 0.00 N ATOM 211 CA PRO A 27 2.560 -7.409 1.138 1.00 0.00 C ATOM 212 C PRO A 27 3.887 -6.841 0.560 1.00 0.00 C ATOM 213 O PRO A 27 4.757 -6.436 1.323 1.00 0.00 O ATOM 214 CB PRO A 27 2.577 -8.939 1.137 1.00 0.01 C ATOM 215 CG PRO A 27 1.197 -9.331 0.737 1.00 0.46 C ATOM 216 CD PRO A 27 0.727 -8.271 -0.216 1.00 0.02 C ATOM 217 HA PRO A 27 2.405 -7.033 2.141 1.00 0.00 H ATOM 218 HB2 PRO A 27 3.311 -9.292 0.427 1.00 0.34 H ATOM 219 HB3 PRO A 27 2.819 -9.300 2.125 1.00 0.33 H ATOM 220 HG2 PRO A 27 1.217 -10.294 0.248 1.00 0.90 H ATOM 221 HG3 PRO A 27 0.558 -9.364 1.607 1.00 0.90 H ATOM 222 HD2 PRO A 27 1.008 -8.522 -1.229 1.00 0.31 H ATOM 223 HD3 PRO A 27 -0.341 -8.139 -0.138 1.00 0.31 H ATOM 224 N LEU A 28 4.025 -6.816 -0.773 1.00 0.00 N ATOM 225 CA LEU A 28 5.239 -6.280 -1.427 1.00 0.00 C ATOM 226 C LEU A 28 5.258 -4.744 -1.199 1.00 0.00 C ATOM 227 O LEU A 28 6.283 -4.183 -0.820 1.00 0.00 O ATOM 228 CB LEU A 28 5.232 -6.595 -2.926 1.00 0.02 C ATOM 229 CG LEU A 28 6.396 -6.005 -3.725 1.00 0.88 C ATOM 230 CD1 LEU A 28 7.722 -6.556 -3.228 1.00 1.71 C ATOM 231 CD2 LEU A 28 6.219 -6.294 -5.207 1.00 1.57 C ATOM 232 H LEU A 28 3.291 -7.148 -1.331 1.00 0.00 H ATOM 233 HA LEU A 28 6.106 -6.725 -0.958 1.00 0.01 H ATOM 234 HB2 LEU A 28 5.249 -7.668 -3.047 1.00 0.66 H ATOM 235 HB3 LEU A 28 4.311 -6.218 -3.347 1.00 0.66 H ATOM 236 HG LEU A 28 6.409 -4.932 -3.593 1.00 1.72 H ATOM 237 HD11 LEU A 28 7.729 -7.631 -3.338 1.00 2.22 H ATOM 238 HD12 LEU A 28 8.529 -6.130 -3.806 1.00 2.21 H ATOM 239 HD13 LEU A 28 7.851 -6.300 -2.187 1.00 2.30 H ATOM 240 HD21 LEU A 28 5.282 -5.877 -5.546 1.00 2.08 H ATOM 241 HD22 LEU A 28 7.032 -5.849 -5.760 1.00 2.16 H ATOM 242 HD23 LEU A 28 6.217 -7.362 -5.367 1.00 2.08 H ATOM 243 N ILE A 29 4.117 -4.085 -1.428 1.00 0.01 N ATOM 244 CA ILE A 29 4.002 -2.631 -1.223 1.00 0.01 C ATOM 245 C ILE A 29 4.325 -2.367 0.274 1.00 0.00 C ATOM 246 O ILE A 29 5.051 -1.433 0.594 1.00 0.00 O ATOM 247 CB ILE A 29 2.597 -2.094 -1.581 1.00 0.06 C ATOM 248 CG1 ILE A 29 2.346 -2.256 -3.083 1.00 0.43 C ATOM 249 CG2 ILE A 29 2.458 -0.632 -1.167 1.00 0.43 C ATOM 250 CD1 ILE A 29 0.981 -1.781 -3.530 1.00 1.07 C ATOM 251 H ILE A 29 3.328 -4.587 -1.719 1.00 0.01 H ATOM 252 HA ILE A 29 4.743 -2.141 -1.841 1.00 0.03 H ATOM 253 HB ILE A 29 1.865 -2.669 -1.035 1.00 0.37 H ATOM 254 HG12 ILE A 29 3.085 -1.690 -3.629 1.00 0.90 H ATOM 255 HG13 ILE A 29 2.436 -3.300 -3.344 1.00 0.97 H ATOM 256 HG21 ILE A 29 3.199 -0.040 -1.685 1.00 1.12 H ATOM 257 HG22 ILE A 29 1.471 -0.278 -1.423 1.00 1.15 H ATOM 258 HG23 ILE A 29 2.607 -0.544 -0.102 1.00 1.13 H ATOM 259 HD11 ILE A 29 0.872 -0.732 -3.299 1.00 1.63 H ATOM 260 HD12 ILE A 29 0.878 -1.928 -4.595 1.00 1.64 H ATOM 261 HD13 ILE A 29 0.217 -2.344 -3.013 1.00 1.64 H ATOM 262 N ALA A 30 3.785 -3.199 1.173 1.00 0.00 N ATOM 263 CA ALA A 30 4.037 -3.052 2.618 1.00 0.00 C ATOM 264 C ALA A 30 5.562 -3.132 2.879 1.00 0.00 C ATOM 265 O ALA A 30 6.095 -2.371 3.679 1.00 0.00 O ATOM 266 CB ALA A 30 3.298 -4.122 3.405 1.00 0.01 C ATOM 267 H ALA A 30 3.219 -3.931 0.861 1.00 0.00 H ATOM 268 HA ALA A 30 3.676 -2.081 2.927 1.00 0.00 H ATOM 269 HB1 ALA A 30 3.652 -5.097 3.108 1.00 1.02 H ATOM 270 HB2 ALA A 30 3.476 -3.980 4.461 1.00 1.02 H ATOM 271 HB3 ALA A 30 2.238 -4.048 3.206 1.00 1.02 H ATOM 272 N THR A 31 6.248 -4.052 2.195 1.00 0.00 N ATOM 273 CA THR A 31 7.701 -4.219 2.345 1.00 0.00 C ATOM 274 C THR A 31 8.402 -2.938 1.839 1.00 0.00 C ATOM 275 O THR A 31 9.347 -2.449 2.462 1.00 0.00 O ATOM 276 CB THR A 31 8.212 -5.444 1.553 1.00 0.08 C ATOM 277 OG1 THR A 31 7.440 -6.608 1.891 1.00 0.99 O ATOM 278 CG2 THR A 31 9.682 -5.711 1.847 1.00 1.09 C ATOM 279 H THR A 31 5.772 -4.629 1.564 1.00 0.00 H ATOM 280 HA THR A 31 7.923 -4.358 3.394 1.00 0.04 H ATOM 281 HB THR A 31 8.102 -5.241 0.498 1.00 0.89 H ATOM 282 HG1 THR A 31 6.495 -6.388 1.868 1.00 1.34 H ATOM 283 HG21 THR A 31 9.808 -5.913 2.901 1.00 1.71 H ATOM 284 HG22 THR A 31 10.014 -6.565 1.275 1.00 1.64 H ATOM 285 HG23 THR A 31 10.267 -4.845 1.575 1.00 1.70 H ATOM 286 N ALA A 32 7.920 -2.405 0.711 1.00 0.00 N ATOM 287 CA ALA A 32 8.473 -1.180 0.115 1.00 0.00 C ATOM 288 C ALA A 32 8.275 0.009 1.084 1.00 0.00 C ATOM 289 O ALA A 32 9.124 0.892 1.151 1.00 0.00 O ATOM 290 CB ALA A 32 7.817 -0.891 -1.226 1.00 0.00 C ATOM 291 H ALA A 32 7.162 -2.842 0.272 1.00 0.00 H ATOM 292 HA ALA A 32 9.532 -1.333 -0.045 1.00 0.00 H ATOM 293 HB1 ALA A 32 6.760 -0.723 -1.081 1.00 1.02 H ATOM 294 HB2 ALA A 32 8.266 -0.011 -1.664 1.00 1.02 H ATOM 295 HB3 ALA A 32 7.959 -1.733 -1.886 1.00 1.02 H ATOM 296 N VAL A 33 7.161 0.022 1.823 1.00 0.00 N ATOM 297 CA VAL A 33 6.889 1.094 2.783 1.00 0.00 C ATOM 298 C VAL A 33 7.981 1.043 3.892 1.00 0.00 C ATOM 299 O VAL A 33 8.516 2.082 4.285 1.00 0.00 O ATOM 300 CB VAL A 33 5.485 0.963 3.419 1.00 0.01 C ATOM 301 CG1 VAL A 33 5.263 2.037 4.473 1.00 0.03 C ATOM 302 CG2 VAL A 33 4.404 1.043 2.352 1.00 0.02 C ATOM 303 H VAL A 33 6.519 -0.714 1.734 1.00 0.00 H ATOM 304 HA VAL A 33 6.955 2.040 2.263 1.00 0.00 H ATOM 305 HB VAL A 33 5.416 -0.002 3.900 1.00 0.02 H ATOM 306 HG11 VAL A 33 5.339 3.012 4.015 1.00 1.02 H ATOM 307 HG12 VAL A 33 4.281 1.918 4.907 1.00 1.02 H ATOM 308 HG13 VAL A 33 6.012 1.943 5.246 1.00 1.02 H ATOM 309 HG21 VAL A 33 4.533 0.236 1.647 1.00 1.02 H ATOM 310 HG22 VAL A 33 3.432 0.963 2.818 1.00 1.01 H ATOM 311 HG23 VAL A 33 4.479 1.989 1.835 1.00 1.02 H ATOM 312 N LYS A 34 8.299 -0.165 4.375 1.00 0.00 N ATOM 313 CA LYS A 34 9.319 -0.367 5.432 1.00 0.00 C ATOM 314 C LYS A 34 10.671 0.110 4.922 1.00 0.00 C ATOM 315 O LYS A 34 11.434 0.757 5.645 1.00 0.00 O ATOM 316 CB LYS A 34 9.388 -1.845 5.826 1.00 0.03 C ATOM 317 CG LYS A 34 10.455 -2.179 6.862 1.00 1.12 C ATOM 318 CD LYS A 34 10.008 -1.889 8.289 1.00 1.73 C ATOM 319 CE LYS A 34 9.919 -0.401 8.582 1.00 2.35 C ATOM 320 NZ LYS A 34 9.575 -0.148 10.004 1.00 3.06 N1+ ATOM 321 H LYS A 34 7.834 -0.950 4.017 1.00 0.00 H ATOM 322 HA LYS A 34 9.036 0.224 6.291 1.00 0.01 H ATOM 323 HB2 LYS A 34 8.429 -2.139 6.227 1.00 0.84 H ATOM 324 HB3 LYS A 34 9.586 -2.429 4.939 1.00 0.85 H ATOM 325 HG2 LYS A 34 10.695 -3.228 6.785 1.00 1.72 H ATOM 326 HG3 LYS A 34 11.339 -1.595 6.649 1.00 1.88 H ATOM 327 HD2 LYS A 34 9.034 -2.329 8.442 1.00 2.30 H ATOM 328 HD3 LYS A 34 10.715 -2.339 8.971 1.00 2.16 H ATOM 329 HE2 LYS A 34 10.874 0.055 8.365 1.00 2.73 H ATOM 330 HE3 LYS A 34 9.159 0.034 7.952 1.00 2.73 H ATOM 331 HZ1 LYS A 34 8.719 -0.687 10.265 1.00 3.43 H ATOM 332 HZ2 LYS A 34 10.361 -0.440 10.623 1.00 3.37 H ATOM 333 HZ3 LYS A 34 9.389 0.867 10.154 1.00 3.51 H ATOM 334 N PHE A 35 10.949 -0.221 3.662 1.00 0.00 N ATOM 335 CA PHE A 35 12.185 0.167 2.998 1.00 0.00 C ATOM 336 C PHE A 35 12.263 1.718 2.992 1.00 0.00 C ATOM 337 O PHE A 35 13.262 2.292 3.424 1.00 0.00 O ATOM 338 CB PHE A 35 12.273 -0.402 1.577 1.00 0.02 C ATOM 339 CG PHE A 35 13.592 -0.129 0.894 1.00 0.15 C ATOM 340 CD1 PHE A 35 14.777 -0.692 1.364 1.00 0.28 C ATOM 341 CD2 PHE A 35 13.650 0.689 -0.224 1.00 0.32 C ATOM 342 CE1 PHE A 35 15.976 -0.441 0.733 1.00 0.39 C ATOM 343 CE2 PHE A 35 14.855 0.941 -0.856 1.00 0.43 C ATOM 344 CZ PHE A 35 16.017 0.372 -0.373 1.00 0.43 C ATOM 345 H PHE A 35 10.284 -0.729 3.155 1.00 0.00 H ATOM 346 HA PHE A 35 13.007 -0.218 3.587 1.00 0.01 H ATOM 347 HB2 PHE A 35 12.134 -1.471 1.615 1.00 0.09 H ATOM 348 HB3 PHE A 35 11.489 0.036 0.974 1.00 0.12 H ATOM 349 HD1 PHE A 35 12.741 1.135 -0.602 1.00 0.43 H ATOM 350 HD2 PHE A 35 14.763 -1.329 2.233 1.00 0.39 H ATOM 351 HE1 PHE A 35 14.885 1.581 -1.725 1.00 0.58 H ATOM 352 HE2 PHE A 35 16.885 -0.885 1.110 1.00 0.52 H ATOM 353 HZ PHE A 35 16.960 0.565 -0.861 1.00 0.54 H ATOM 354 N LEU A 36 11.203 2.375 2.508 1.00 0.00 N ATOM 355 CA LEU A 36 11.138 3.845 2.433 1.00 0.00 C ATOM 356 C LEU A 36 11.176 4.556 3.780 1.00 0.00 C ATOM 357 O LEU A 36 11.541 5.732 3.853 1.00 0.00 O ATOM 358 CB LEU A 36 9.905 4.296 1.645 1.00 0.02 C ATOM 359 CG LEU A 36 10.129 4.460 0.140 1.00 0.86 C ATOM 360 CD1 LEU A 36 11.248 5.455 -0.123 1.00 1.51 C ATOM 361 CD2 LEU A 36 10.449 3.124 -0.507 1.00 1.55 C ATOM 362 H LEU A 36 10.444 1.858 2.179 1.00 0.00 H ATOM 363 HA LEU A 36 12.010 4.161 1.880 1.00 0.01 H ATOM 364 HB2 LEU A 36 9.121 3.569 1.797 1.00 0.65 H ATOM 365 HB3 LEU A 36 9.576 5.244 2.043 1.00 0.66 H ATOM 366 HG LEU A 36 9.228 4.846 -0.312 1.00 1.77 H ATOM 367 HD11 LEU A 36 12.162 5.096 0.327 1.00 2.05 H ATOM 368 HD12 LEU A 36 11.389 5.566 -1.187 1.00 2.02 H ATOM 369 HD13 LEU A 36 10.987 6.411 0.307 1.00 2.07 H ATOM 370 HD21 LEU A 36 9.630 2.441 -0.341 1.00 2.06 H ATOM 371 HD22 LEU A 36 10.593 3.262 -1.568 1.00 2.09 H ATOM 372 HD23 LEU A 36 11.350 2.720 -0.071 1.00 2.10 H ATOM 373 N GLN A 37 10.799 3.851 4.840 1.00 0.00 N ATOM 374 CA GLN A 37 10.804 4.430 6.185 1.00 0.00 C ATOM 375 C GLN A 37 12.160 4.236 6.893 1.00 0.00 C ATOM 376 O GLN A 37 12.401 4.823 7.956 1.00 0.00 O ATOM 377 CB GLN A 37 9.679 3.853 7.040 1.00 0.04 C ATOM 378 CG GLN A 37 8.291 4.172 6.508 1.00 1.15 C ATOM 379 CD GLN A 37 7.207 3.942 7.540 1.00 1.62 C ATOM 380 OE1 GLN A 37 6.086 3.557 7.208 1.00 2.24 O ATOM 381 NE2 GLN A 37 7.523 4.202 8.796 1.00 2.28 N ATOM 382 H GLN A 37 10.521 2.918 4.721 1.00 0.00 H ATOM 383 HA GLN A 37 10.635 5.491 6.073 1.00 0.02 H ATOM 384 HB2 GLN A 37 9.788 2.779 7.080 1.00 0.88 H ATOM 385 HB3 GLN A 37 9.759 4.252 8.039 1.00 0.90 H ATOM 386 HG2 GLN A 37 8.265 5.209 6.206 1.00 1.87 H ATOM 387 HG3 GLN A 37 8.094 3.543 5.653 1.00 1.80 H ATOM 388 HE21 GLN A 37 8.435 4.528 8.992 1.00 2.58 H ATOM 389 HE22 GLN A 37 6.837 4.074 9.485 1.00 2.84 H ATOM 390 N ASN A 38 13.034 3.420 6.301 1.00 0.00 N ATOM 391 CA ASN A 38 14.366 3.137 6.872 1.00 0.00 C ATOM 392 C ASN A 38 15.243 4.375 6.895 1.00 0.00 C ATOM 393 O ASN A 38 15.327 5.095 5.902 1.00 0.00 O ATOM 394 CB ASN A 38 15.107 2.034 6.123 1.00 0.03 C ATOM 395 CG ASN A 38 16.458 1.757 6.766 1.00 0.88 C ATOM 396 OD1 ASN A 38 16.593 1.783 7.986 1.00 1.66 O ATOM 397 ND2 ASN A 38 17.474 1.542 5.959 1.00 1.27 N ATOM 398 H ASN A 38 12.778 2.985 5.460 1.00 0.00 H ATOM 399 HA ASN A 38 14.213 2.814 7.892 1.00 0.01 H ATOM 400 HB2 ASN A 38 14.519 1.128 6.144 1.00 0.64 H ATOM 401 HB3 ASN A 38 15.268 2.339 5.101 1.00 0.65 H ATOM 402 HD21 ASN A 38 17.313 1.570 4.994 1.00 1.47 H ATOM 403 HD22 ASN A 38 18.356 1.345 6.361 1.00 1.74 H ATOM 404 N SER A 39 15.892 4.619 8.029 1.00 0.00 N ATOM 405 CA SER A 39 16.762 5.790 8.204 1.00 0.00 C ATOM 406 C SER A 39 17.855 5.966 7.172 1.00 0.00 C ATOM 407 O SER A 39 18.055 7.073 6.660 1.00 0.00 O ATOM 408 CB SER A 39 17.393 5.716 9.592 1.00 0.02 C ATOM 409 OG SER A 39 17.950 4.429 9.824 1.00 1.29 O ATOM 410 H SER A 39 15.768 4.002 8.782 1.00 0.00 H ATOM 411 HA SER A 39 16.131 6.663 8.176 1.00 0.01 H ATOM 412 HB2 SER A 39 18.178 6.455 9.670 1.00 0.98 H ATOM 413 HB3 SER A 39 16.639 5.910 10.341 1.00 0.98 H ATOM 414 HG SER A 39 17.294 3.874 10.271 1.00 1.79 H ATOM 415 N ARG A 40 18.565 4.883 6.869 1.00 0.00 N ATOM 416 CA ARG A 40 19.645 4.924 5.883 1.00 0.00 C ATOM 417 C ARG A 40 19.072 5.182 4.492 1.00 0.00 C ATOM 418 O ARG A 40 19.623 5.963 3.720 1.00 0.00 O ATOM 419 CB ARG A 40 20.405 3.603 5.919 1.00 0.04 C ATOM 420 CG ARG A 40 21.815 3.681 5.373 1.00 0.70 C ATOM 421 CD ARG A 40 22.686 4.620 6.187 1.00 1.41 C ATOM 422 NE ARG A 40 24.099 4.437 5.874 1.00 2.12 N ATOM 423 CZ ARG A 40 25.013 5.401 5.910 1.00 3.08 C ATOM 424 NH1 ARG A 40 24.667 6.648 6.199 1.00 3.56 N1+ ATOM 425 NH2 ARG A 40 26.281 5.114 5.644 1.00 3.96 N ATOM 426 H ARG A 40 18.354 4.035 7.310 1.00 0.00 H ATOM 427 HA ARG A 40 20.313 5.730 6.147 1.00 0.02 H ATOM 428 HB2 ARG A 40 20.461 3.264 6.943 1.00 0.54 H ATOM 429 HB3 ARG A 40 19.859 2.873 5.340 1.00 0.52 H ATOM 430 HG2 ARG A 40 22.253 2.693 5.393 1.00 1.32 H ATOM 431 HG3 ARG A 40 21.776 4.036 4.353 1.00 1.49 H ATOM 432 HD2 ARG A 40 22.405 5.638 5.966 1.00 2.05 H ATOM 433 HD3 ARG A 40 22.529 4.420 7.236 1.00 1.97 H ATOM 434 HE ARG A 40 24.389 3.520 5.633 1.00 2.34 H ATOM 435 HH11 ARG A 40 23.707 6.874 6.395 1.00 3.37 H ATOM 436 HH12 ARG A 40 25.366 7.378 6.207 1.00 4.39 H ATOM 437 HH21 ARG A 40 26.544 4.176 5.413 1.00 4.11 H ATOM 438 HH22 ARG A 40 26.983 5.835 5.677 1.00 4.69 H ATOM 439 N VAL A 41 17.960 4.517 4.183 1.00 0.00 N ATOM 440 CA VAL A 41 17.307 4.666 2.889 1.00 0.00 C ATOM 441 C VAL A 41 16.862 6.104 2.635 1.00 0.00 C ATOM 442 O VAL A 41 17.041 6.627 1.534 1.00 0.00 O ATOM 443 CB VAL A 41 16.093 3.713 2.756 1.00 0.03 C ATOM 444 CG1 VAL A 41 15.340 3.963 1.457 1.00 0.06 C ATOM 445 CG2 VAL A 41 16.547 2.262 2.827 1.00 0.10 C ATOM 446 H VAL A 41 17.571 3.906 4.847 1.00 0.00 H ATOM 447 HA VAL A 41 18.026 4.392 2.130 1.00 0.02 H ATOM 448 HB VAL A 41 15.420 3.899 3.581 1.00 0.07 H ATOM 449 HG11 VAL A 41 16.006 3.811 0.621 1.00 1.02 H ATOM 450 HG12 VAL A 41 14.509 3.278 1.384 1.00 1.01 H ATOM 451 HG13 VAL A 41 14.972 4.979 1.444 1.00 1.02 H ATOM 452 HG21 VAL A 41 17.067 2.086 3.759 1.00 1.02 H ATOM 453 HG22 VAL A 41 15.688 1.605 2.770 1.00 1.03 H ATOM 454 HG23 VAL A 41 17.214 2.049 2.004 1.00 1.01 H ATOM 455 N ARG A 42 16.288 6.740 3.655 1.00 0.00 N ATOM 456 CA ARG A 42 15.811 8.124 3.543 1.00 0.00 C ATOM 457 C ARG A 42 16.913 9.133 3.250 1.00 0.00 C ATOM 458 O ARG A 42 16.631 10.265 2.848 1.00 0.00 O ATOM 459 CB ARG A 42 15.106 8.491 4.848 1.00 0.05 C ATOM 460 CG ARG A 42 14.197 9.701 4.754 1.00 1.16 C ATOM 461 CD ARG A 42 13.514 9.958 6.081 1.00 1.46 C ATOM 462 NE ARG A 42 12.430 10.925 5.969 1.00 2.00 N ATOM 463 CZ ARG A 42 11.329 10.886 6.715 1.00 2.62 C ATOM 464 NH1 ARG A 42 11.186 9.940 7.640 1.00 2.86 N1+ ATOM 465 NH2 ARG A 42 10.374 11.791 6.540 1.00 3.47 N ATOM 466 H ARG A 42 16.174 6.265 4.505 1.00 0.00 H ATOM 467 HA ARG A 42 15.088 8.159 2.744 1.00 0.02 H ATOM 468 HB2 ARG A 42 14.509 7.649 5.167 1.00 0.90 H ATOM 469 HB3 ARG A 42 15.855 8.691 5.601 1.00 0.91 H ATOM 470 HG2 ARG A 42 14.785 10.566 4.484 1.00 1.86 H ATOM 471 HG3 ARG A 42 13.446 9.520 3.999 1.00 1.85 H ATOM 472 HD2 ARG A 42 13.113 9.025 6.451 1.00 1.94 H ATOM 473 HD3 ARG A 42 14.247 10.334 6.781 1.00 1.92 H ATOM 474 HE ARG A 42 12.527 11.642 5.296 1.00 2.39 H ATOM 475 HH11 ARG A 42 11.908 9.254 7.779 1.00 2.73 H ATOM 476 HH12 ARG A 42 10.352 9.903 8.204 1.00 3.50 H ATOM 477 HH21 ARG A 42 10.475 12.507 5.841 1.00 3.81 H ATOM 478 HH22 ARG A 42 9.541 11.770 7.112 1.00 4.00 H ATOM 479 N GLN A 43 18.162 8.723 3.450 1.00 0.00 N ATOM 480 CA GLN A 43 19.301 9.597 3.203 1.00 0.00 C ATOM 481 C GLN A 43 19.651 9.680 1.718 1.00 0.00 C ATOM 482 O GLN A 43 20.324 10.618 1.280 1.00 0.00 O ATOM 483 CB GLN A 43 20.512 9.115 4.003 1.00 0.03 C ATOM 484 CG GLN A 43 20.244 9.023 5.498 1.00 1.21 C ATOM 485 CD GLN A 43 21.392 8.400 6.267 1.00 1.79 C ATOM 486 OE1 GLN A 43 22.147 7.589 5.732 1.00 2.41 O ATOM 487 NE2 GLN A 43 21.518 8.759 7.535 1.00 2.48 N ATOM 488 H GLN A 43 18.319 7.811 3.769 1.00 0.00 H ATOM 489 HA GLN A 43 19.033 10.585 3.547 1.00 0.01 H ATOM 490 HB2 GLN A 43 20.797 8.135 3.648 1.00 0.91 H ATOM 491 HB3 GLN A 43 21.331 9.800 3.846 1.00 0.92 H ATOM 492 HG2 GLN A 43 20.076 10.018 5.881 1.00 1.94 H ATOM 493 HG3 GLN A 43 19.359 8.424 5.655 1.00 1.86 H ATOM 494 HE21 GLN A 43 20.874 9.401 7.900 1.00 2.72 H ATOM 495 HE22 GLN A 43 22.244 8.355 8.065 1.00 3.10 H ATOM 496 N SER A 44 19.194 8.698 0.950 1.00 0.00 N ATOM 497 CA SER A 44 19.471 8.665 -0.476 1.00 0.00 C ATOM 498 C SER A 44 18.526 9.547 -1.272 1.00 0.00 C ATOM 499 O SER A 44 17.391 9.779 -0.844 1.00 0.00 O ATOM 500 CB SER A 44 19.430 7.230 -0.967 1.00 0.04 C ATOM 501 OG SER A 44 20.355 6.439 -0.239 1.00 0.95 O ATOM 502 H SER A 44 18.667 7.977 1.354 1.00 0.00 H ATOM 503 HA SER A 44 20.473 9.038 -0.613 1.00 0.02 H ATOM 504 HB2 SER A 44 18.437 6.828 -0.827 1.00 0.70 H ATOM 505 HB3 SER A 44 19.691 7.199 -2.015 1.00 0.73 H ATOM 506 HG SER A 44 20.359 6.720 0.683 1.00 1.34 H ATOM 507 N PRO A 45 18.975 10.057 -2.440 1.00 0.00 N ATOM 508 CA PRO A 45 18.121 10.903 -3.262 1.00 0.00 C ATOM 509 C PRO A 45 16.835 10.162 -3.644 1.00 0.00 C ATOM 510 O PRO A 45 16.838 8.936 -3.803 1.00 0.00 O ATOM 511 CB PRO A 45 18.972 11.184 -4.505 1.00 0.00 C ATOM 512 CG PRO A 45 20.378 10.931 -4.078 1.00 0.02 C ATOM 513 CD PRO A 45 20.310 9.861 -3.026 1.00 0.01 C ATOM 514 HA PRO A 45 17.874 11.829 -2.763 1.00 0.00 H ATOM 515 HB2 PRO A 45 18.675 10.518 -5.303 1.00 0.01 H ATOM 516 HB3 PRO A 45 18.833 12.209 -4.815 1.00 0.01 H ATOM 517 HG2 PRO A 45 20.962 10.591 -4.920 1.00 0.03 H ATOM 518 HG3 PRO A 45 20.804 11.834 -3.667 1.00 0.03 H ATOM 519 HD2 PRO A 45 20.396 8.882 -3.474 1.00 0.02 H ATOM 520 HD3 PRO A 45 21.081 10.009 -2.284 1.00 0.02 H ATOM 521 N LEU A 46 15.749 10.913 -3.786 1.00 0.00 N ATOM 522 CA LEU A 46 14.465 10.343 -4.151 1.00 0.00 C ATOM 523 C LEU A 46 14.557 9.406 -5.367 1.00 0.00 C ATOM 524 O LEU A 46 14.077 8.270 -5.306 1.00 0.00 O ATOM 525 CB LEU A 46 13.460 11.464 -4.424 1.00 0.03 C ATOM 526 CG LEU A 46 12.016 11.014 -4.645 1.00 1.24 C ATOM 527 CD1 LEU A 46 11.492 10.275 -3.424 1.00 2.00 C ATOM 528 CD2 LEU A 46 11.135 12.212 -4.961 1.00 1.95 C ATOM 529 H LEU A 46 15.818 11.881 -3.646 1.00 0.00 H ATOM 530 HA LEU A 46 14.114 9.770 -3.306 1.00 0.02 H ATOM 531 HB2 LEU A 46 13.477 12.145 -3.586 1.00 0.96 H ATOM 532 HB3 LEU A 46 13.785 11.999 -5.305 1.00 0.96 H ATOM 533 HG LEU A 46 11.979 10.339 -5.488 1.00 2.05 H ATOM 534 HD11 LEU A 46 11.522 10.931 -2.567 1.00 2.51 H ATOM 535 HD12 LEU A 46 10.475 9.961 -3.602 1.00 2.49 H ATOM 536 HD13 LEU A 46 12.108 9.408 -3.236 1.00 2.44 H ATOM 537 HD21 LEU A 46 11.489 12.693 -5.862 1.00 2.42 H ATOM 538 HD22 LEU A 46 10.116 11.883 -5.106 1.00 2.36 H ATOM 539 HD23 LEU A 46 11.173 12.914 -4.141 1.00 2.49 H ATOM 540 N ALA A 47 15.168 9.880 -6.456 1.00 0.00 N ATOM 541 CA ALA A 47 15.315 9.084 -7.684 1.00 0.00 C ATOM 542 C ALA A 47 15.965 7.734 -7.429 1.00 0.00 C ATOM 543 O ALA A 47 15.614 6.732 -8.062 1.00 0.00 O ATOM 544 CB ALA A 47 16.114 9.864 -8.715 1.00 0.01 C ATOM 545 H ALA A 47 15.525 10.792 -6.439 1.00 0.00 H ATOM 546 HA ALA A 47 14.327 8.921 -8.088 1.00 0.00 H ATOM 547 HB1 ALA A 47 17.119 10.013 -8.353 1.00 1.02 H ATOM 548 HB2 ALA A 47 16.142 9.311 -9.642 1.00 1.02 H ATOM 549 HB3 ALA A 47 15.645 10.823 -8.882 1.00 1.02 H ATOM 550 N THR A 48 16.916 7.731 -6.493 1.00 0.00 N ATOM 551 CA THR A 48 17.672 6.528 -6.091 1.00 0.00 C ATOM 552 C THR A 48 16.740 5.527 -5.403 1.00 0.00 C ATOM 553 O THR A 48 16.797 4.331 -5.685 1.00 0.00 O ATOM 554 CB THR A 48 18.850 6.898 -5.172 1.00 0.02 C ATOM 555 OG1 THR A 48 19.715 7.810 -5.863 1.00 0.11 O ATOM 556 CG2 THR A 48 19.637 5.665 -4.759 1.00 0.13 C ATOM 557 H THR A 48 17.123 8.576 -6.046 1.00 0.00 H ATOM 558 HA THR A 48 18.067 6.073 -6.989 1.00 0.01 H ATOM 559 HB THR A 48 18.462 7.379 -4.285 1.00 0.10 H ATOM 560 HG1 THR A 48 19.928 7.440 -6.736 1.00 0.61 H ATOM 561 HG21 THR A 48 20.038 5.183 -5.640 1.00 1.02 H ATOM 562 HG22 THR A 48 20.448 5.955 -4.108 1.00 1.01 H ATOM 563 HG23 THR A 48 18.985 4.978 -4.240 1.00 1.02 H ATOM 564 N ARG A 49 15.884 6.030 -4.506 1.00 0.00 N ATOM 565 CA ARG A 49 14.919 5.194 -3.777 1.00 0.00 C ATOM 566 C ARG A 49 13.904 4.581 -4.773 1.00 0.00 C ATOM 567 O ARG A 49 13.604 3.387 -4.702 1.00 0.00 O ATOM 568 CB ARG A 49 14.205 6.005 -2.692 1.00 0.04 C ATOM 569 CG ARG A 49 15.095 6.288 -1.497 1.00 0.59 C ATOM 570 CD ARG A 49 15.094 7.755 -1.120 1.00 0.63 C ATOM 571 NE ARG A 49 13.865 8.170 -0.447 1.00 1.10 N ATOM 572 CZ ARG A 49 13.774 9.284 0.273 1.00 1.25 C ATOM 573 NH1 ARG A 49 14.821 10.090 0.375 1.00 1.08 N1+ ATOM 574 NH2 ARG A 49 12.641 9.597 0.886 1.00 2.30 N ATOM 575 H ARG A 49 15.892 6.993 -4.337 1.00 0.00 H ATOM 576 HA ARG A 49 15.471 4.390 -3.310 1.00 0.01 H ATOM 577 HB2 ARG A 49 13.883 6.949 -3.111 1.00 0.46 H ATOM 578 HB3 ARG A 49 13.340 5.455 -2.352 1.00 0.44 H ATOM 579 HG2 ARG A 49 14.740 5.714 -0.655 1.00 0.94 H ATOM 580 HG3 ARG A 49 16.105 5.988 -1.738 1.00 0.99 H ATOM 581 HD2 ARG A 49 15.928 7.940 -0.459 1.00 1.46 H ATOM 582 HD3 ARG A 49 15.214 8.342 -2.018 1.00 1.27 H ATOM 583 HE ARG A 49 13.080 7.585 -0.526 1.00 1.87 H ATOM 584 HH11 ARG A 49 15.686 9.862 -0.086 1.00 1.45 H ATOM 585 HH12 ARG A 49 14.757 10.940 0.916 1.00 1.38 H ATOM 586 HH21 ARG A 49 11.834 8.994 0.814 1.00 3.06 H ATOM 587 HH22 ARG A 49 12.580 10.442 1.439 1.00 2.44 H ATOM 588 N ARG A 50 13.384 5.392 -5.694 1.00 0.00 N ATOM 589 CA ARG A 50 12.424 4.896 -6.678 1.00 0.00 C ATOM 590 C ARG A 50 13.081 3.841 -7.585 1.00 0.00 C ATOM 591 O ARG A 50 12.506 2.779 -7.823 1.00 0.00 O ATOM 592 CB ARG A 50 11.833 6.042 -7.496 1.00 0.06 C ATOM 593 CG ARG A 50 10.591 5.629 -8.263 1.00 1.20 C ATOM 594 CD ARG A 50 9.737 6.821 -8.654 1.00 1.36 C ATOM 595 NE ARG A 50 8.451 6.396 -9.203 1.00 1.99 N ATOM 596 CZ ARG A 50 7.293 7.017 -8.970 1.00 2.57 C ATOM 597 NH1 ARG A 50 7.259 8.121 -8.229 1.00 2.76 N1+ ATOM 598 NH2 ARG A 50 6.171 6.531 -9.485 1.00 3.51 N ATOM 599 H ARG A 50 13.654 6.335 -5.715 1.00 0.00 H ATOM 600 HA ARG A 50 11.626 4.415 -6.130 1.00 0.03 H ATOM 601 HB2 ARG A 50 11.571 6.852 -6.830 1.00 0.92 H ATOM 602 HB3 ARG A 50 12.571 6.389 -8.204 1.00 0.94 H ATOM 603 HG2 ARG A 50 10.893 5.109 -9.159 1.00 1.92 H ATOM 604 HG3 ARG A 50 10.005 4.966 -7.642 1.00 1.88 H ATOM 605 HD2 ARG A 50 9.564 7.431 -7.778 1.00 1.81 H ATOM 606 HD3 ARG A 50 10.264 7.400 -9.399 1.00 1.78 H ATOM 607 HE ARG A 50 8.453 5.586 -9.772 1.00 2.50 H ATOM 608 HH11 ARG A 50 8.103 8.495 -7.836 1.00 2.62 H ATOM 609 HH12 ARG A 50 6.386 8.596 -8.068 1.00 3.43 H ATOM 610 HH21 ARG A 50 6.192 5.706 -10.050 1.00 3.92 H ATOM 611 HH22 ARG A 50 5.282 6.983 -9.300 1.00 4.04 H ATOM 612 N ALA A 51 14.283 4.149 -8.080 1.00 0.00 N ATOM 613 CA ALA A 51 15.020 3.234 -8.959 1.00 0.00 C ATOM 614 C ALA A 51 15.344 1.921 -8.253 1.00 0.00 C ATOM 615 O ALA A 51 15.298 0.855 -8.874 1.00 0.00 O ATOM 616 CB ALA A 51 16.298 3.894 -9.450 1.00 0.01 C ATOM 617 H ALA A 51 14.684 5.011 -7.850 1.00 0.00 H ATOM 618 HA ALA A 51 14.399 3.026 -9.819 1.00 0.00 H ATOM 619 HB1 ALA A 51 16.941 4.103 -8.608 1.00 1.00 H ATOM 620 HB2 ALA A 51 16.804 3.230 -10.134 1.00 1.01 H ATOM 621 HB3 ALA A 51 16.055 4.817 -9.955 1.00 1.00 H ATOM 622 N PHE A 52 15.673 2.000 -6.953 1.00 0.00 N ATOM 623 CA PHE A 52 15.993 0.787 -6.199 1.00 0.00 C ATOM 624 C PHE A 52 14.748 -0.112 -6.201 1.00 0.00 C ATOM 625 O PHE A 52 14.844 -1.312 -6.465 1.00 0.00 O ATOM 626 CB PHE A 52 16.470 1.012 -4.772 1.00 0.05 C ATOM 627 CG PHE A 52 17.206 -0.206 -4.292 1.00 0.37 C ATOM 628 CD1 PHE A 52 18.552 -0.360 -4.586 1.00 0.60 C ATOM 629 CD2 PHE A 52 16.554 -1.224 -3.608 1.00 0.62 C ATOM 630 CE1 PHE A 52 19.233 -1.497 -4.207 1.00 0.89 C ATOM 631 CE2 PHE A 52 17.236 -2.357 -3.223 1.00 0.89 C ATOM 632 CZ PHE A 52 18.576 -2.496 -3.525 1.00 0.99 C ATOM 633 H PHE A 52 15.693 2.872 -6.506 1.00 0.00 H ATOM 634 HA PHE A 52 16.771 0.273 -6.749 1.00 0.02 H ATOM 635 HB2 PHE A 52 17.139 1.861 -4.738 1.00 0.20 H ATOM 636 HB3 PHE A 52 15.625 1.179 -4.122 1.00 0.24 H ATOM 637 HD1 PHE A 52 19.070 0.424 -5.116 1.00 0.67 H ATOM 638 HD2 PHE A 52 15.503 -1.126 -3.366 1.00 0.69 H ATOM 639 HE1 PHE A 52 20.281 -1.603 -4.444 1.00 1.10 H ATOM 640 HE2 PHE A 52 16.721 -3.142 -2.687 1.00 1.11 H ATOM 641 HZ PHE A 52 19.108 -3.388 -3.228 1.00 1.23 H ATOM 642 N LEU A 53 13.584 0.474 -5.915 1.00 0.00 N ATOM 643 CA LEU A 53 12.320 -0.273 -5.893 1.00 0.00 C ATOM 644 C LEU A 53 11.989 -0.851 -7.289 1.00 0.00 C ATOM 645 O LEU A 53 11.458 -1.963 -7.395 1.00 0.00 O ATOM 646 CB LEU A 53 11.171 0.626 -5.438 1.00 0.02 C ATOM 647 CG LEU A 53 11.275 1.161 -4.012 1.00 0.55 C ATOM 648 CD1 LEU A 53 10.100 2.075 -3.714 1.00 1.25 C ATOM 649 CD2 LEU A 53 11.329 0.015 -3.013 1.00 1.14 C ATOM 650 H LEU A 53 13.572 1.434 -5.717 1.00 0.00 H ATOM 651 HA LEU A 53 12.427 -1.089 -5.194 1.00 0.01 H ATOM 652 HB2 LEU A 53 11.117 1.471 -6.112 1.00 0.42 H ATOM 653 HB3 LEU A 53 10.252 0.066 -5.521 1.00 0.41 H ATOM 654 HG LEU A 53 12.182 1.739 -3.915 1.00 1.41 H ATOM 655 HD11 LEU A 53 9.179 1.524 -3.826 1.00 1.81 H ATOM 656 HD12 LEU A 53 10.178 2.444 -2.702 1.00 1.76 H ATOM 657 HD13 LEU A 53 10.108 2.908 -4.403 1.00 1.87 H ATOM 658 HD21 LEU A 53 12.183 -0.611 -3.229 1.00 1.73 H ATOM 659 HD22 LEU A 53 11.418 0.413 -2.013 1.00 1.69 H ATOM 660 HD23 LEU A 53 10.425 -0.572 -3.089 1.00 1.74 H ATOM 661 N LYS A 54 12.304 -0.099 -8.347 1.00 0.00 N ATOM 662 CA LYS A 54 12.044 -0.556 -9.707 1.00 0.00 C ATOM 663 C LYS A 54 12.908 -1.804 -10.006 1.00 0.00 C ATOM 664 O LYS A 54 12.415 -2.767 -10.591 1.00 0.00 O ATOM 665 CB LYS A 54 12.430 0.505 -10.745 1.00 0.04 C ATOM 666 CG LYS A 54 11.789 1.868 -10.579 1.00 1.04 C ATOM 667 CD LYS A 54 12.345 2.827 -11.619 1.00 1.51 C ATOM 668 CE LYS A 54 11.885 4.256 -11.398 1.00 1.91 C ATOM 669 NZ LYS A 54 12.477 5.177 -12.404 1.00 2.46 N1+ ATOM 670 H LYS A 54 12.727 0.773 -8.207 1.00 0.00 H ATOM 671 HA LYS A 54 10.997 -0.801 -9.802 1.00 0.02 H ATOM 672 HB2 LYS A 54 13.500 0.641 -10.708 1.00 0.80 H ATOM 673 HB3 LYS A 54 12.168 0.130 -11.724 1.00 0.80 H ATOM 674 HG2 LYS A 54 10.721 1.776 -10.712 1.00 1.73 H ATOM 675 HG3 LYS A 54 12.007 2.247 -9.592 1.00 1.74 H ATOM 676 HD2 LYS A 54 13.423 2.801 -11.575 1.00 2.01 H ATOM 677 HD3 LYS A 54 12.021 2.504 -12.598 1.00 2.09 H ATOM 678 HE2 LYS A 54 10.809 4.293 -11.475 1.00 2.31 H ATOM 679 HE3 LYS A 54 12.188 4.572 -10.410 1.00 2.38 H ATOM 680 HZ1 LYS A 54 12.217 4.868 -13.367 1.00 2.93 H ATOM 681 HZ2 LYS A 54 12.131 6.146 -12.261 1.00 2.79 H ATOM 682 HZ3 LYS A 54 13.519 5.175 -12.324 1.00 2.83 H ATOM 683 N LYS A 55 14.183 -1.789 -9.602 1.00 0.00 N ATOM 684 CA LYS A 55 15.078 -2.938 -9.846 1.00 0.00 C ATOM 685 C LYS A 55 14.634 -4.162 -9.049 1.00 0.00 C ATOM 686 O LYS A 55 14.998 -5.291 -9.375 1.00 0.00 O ATOM 687 CB LYS A 55 16.527 -2.586 -9.491 1.00 0.04 C ATOM 688 CG LYS A 55 17.331 -2.015 -10.651 1.00 1.16 C ATOM 689 CD LYS A 55 16.772 -0.690 -11.143 1.00 1.85 C ATOM 690 CE LYS A 55 17.532 -0.180 -12.356 1.00 2.58 C ATOM 691 NZ LYS A 55 18.969 0.055 -12.062 1.00 3.20 N1+ ATOM 692 H LYS A 55 14.530 -1.000 -9.140 1.00 0.00 H ATOM 693 HA LYS A 55 15.026 -3.175 -10.899 1.00 0.02 H ATOM 694 HB2 LYS A 55 16.521 -1.856 -8.695 1.00 0.89 H ATOM 695 HB3 LYS A 55 17.025 -3.478 -9.143 1.00 0.90 H ATOM 696 HG2 LYS A 55 18.349 -1.863 -10.328 1.00 1.81 H ATOM 697 HG3 LYS A 55 17.315 -2.725 -11.466 1.00 1.86 H ATOM 698 HD2 LYS A 55 15.736 -0.825 -11.411 1.00 2.40 H ATOM 699 HD3 LYS A 55 16.849 0.037 -10.349 1.00 2.28 H ATOM 700 HE2 LYS A 55 17.453 -0.909 -13.148 1.00 2.95 H ATOM 701 HE3 LYS A 55 17.084 0.749 -12.679 1.00 3.04 H ATOM 702 HZ1 LYS A 55 19.434 -0.837 -11.784 1.00 3.53 H ATOM 703 HZ2 LYS A 55 19.447 0.435 -12.907 1.00 3.58 H ATOM 704 HZ3 LYS A 55 19.071 0.743 -11.283 1.00 3.54 H ATOM 705 N LYS A 56 13.843 -3.917 -8.005 1.00 0.00 N ATOM 706 CA LYS A 56 13.306 -4.971 -7.144 1.00 0.00 C ATOM 707 C LYS A 56 12.034 -5.573 -7.797 1.00 0.00 C ATOM 708 O LYS A 56 11.497 -6.573 -7.307 1.00 0.00 O ATOM 709 CB LYS A 56 13.000 -4.464 -5.740 1.00 0.05 C ATOM 710 CG LYS A 56 13.993 -4.973 -4.712 1.00 0.97 C ATOM 711 CD LYS A 56 14.130 -6.492 -4.781 1.00 1.62 C ATOM 712 CE LYS A 56 12.868 -7.205 -4.313 1.00 2.03 C ATOM 713 NZ LYS A 56 12.703 -7.133 -2.838 1.00 2.62 N1+ ATOM 714 H LYS A 56 13.591 -2.990 -7.817 1.00 0.00 H ATOM 715 HA LYS A 56 14.056 -5.748 -7.082 1.00 0.02 H ATOM 716 HB2 LYS A 56 13.030 -3.383 -5.740 1.00 0.76 H ATOM 717 HB3 LYS A 56 12.012 -4.793 -5.453 1.00 0.76 H ATOM 718 HG2 LYS A 56 14.957 -4.525 -4.901 1.00 1.70 H ATOM 719 HG3 LYS A 56 13.650 -4.696 -3.726 1.00 1.64 H ATOM 720 HD2 LYS A 56 14.330 -6.778 -5.801 1.00 2.18 H ATOM 721 HD3 LYS A 56 14.955 -6.795 -4.154 1.00 2.23 H ATOM 722 HE2 LYS A 56 12.012 -6.742 -4.783 1.00 2.43 H ATOM 723 HE3 LYS A 56 12.924 -8.241 -4.610 1.00 2.40 H ATOM 724 HZ1 LYS A 56 12.717 -6.147 -2.520 1.00 3.04 H ATOM 725 HZ2 LYS A 56 11.796 -7.569 -2.554 1.00 3.03 H ATOM 726 HZ3 LYS A 56 13.482 -7.652 -2.369 1.00 2.94 H ATOM 727 N GLY A 57 11.571 -4.955 -8.882 1.00 0.00 N ATOM 728 CA GLY A 57 10.386 -5.443 -9.572 1.00 0.00 C ATOM 729 C GLY A 57 9.079 -4.713 -9.350 1.00 0.00 C ATOM 730 O GLY A 57 8.049 -5.153 -9.863 1.00 0.00 O ATOM 731 H GLY A 57 12.041 -4.168 -9.223 1.00 0.00 H ATOM 732 HA2 GLY A 57 10.591 -5.421 -10.630 1.00 0.00 H ATOM 733 HA3 GLY A 57 10.246 -6.478 -9.287 1.00 0.00 H ATOM 734 N LEU A 58 9.090 -3.614 -8.602 1.00 0.00 N ATOM 735 CA LEU A 58 7.858 -2.874 -8.376 1.00 0.00 C ATOM 736 C LEU A 58 7.637 -1.920 -9.577 1.00 0.00 C ATOM 737 O LEU A 58 8.592 -1.470 -10.213 1.00 0.00 O ATOM 738 CB LEU A 58 7.911 -2.070 -7.069 1.00 0.02 C ATOM 739 CG LEU A 58 7.857 -2.892 -5.775 1.00 0.31 C ATOM 740 CD1 LEU A 58 9.179 -3.599 -5.512 1.00 1.28 C ATOM 741 CD2 LEU A 58 7.485 -1.999 -4.602 1.00 1.24 C ATOM 742 H LEU A 58 9.932 -3.294 -8.217 1.00 0.00 H ATOM 743 HA LEU A 58 7.043 -3.582 -8.332 1.00 0.01 H ATOM 744 HB2 LEU A 58 8.826 -1.496 -7.066 1.00 0.23 H ATOM 745 HB3 LEU A 58 7.078 -1.382 -7.065 1.00 0.25 H ATOM 746 HG LEU A 58 7.091 -3.648 -5.873 1.00 1.12 H ATOM 747 HD11 LEU A 58 9.968 -2.866 -5.424 1.00 1.84 H ATOM 748 HD12 LEU A 58 9.110 -4.166 -4.596 1.00 1.87 H ATOM 749 HD13 LEU A 58 9.398 -4.267 -6.332 1.00 1.90 H ATOM 750 HD21 LEU A 58 6.513 -1.563 -4.775 1.00 1.82 H ATOM 751 HD22 LEU A 58 7.460 -2.586 -3.696 1.00 1.87 H ATOM 752 HD23 LEU A 58 8.218 -1.212 -4.502 1.00 1.81 H ATOM 753 N THR A 59 6.383 -1.624 -9.881 1.00 0.00 N ATOM 754 CA THR A 59 6.073 -0.728 -10.984 1.00 0.00 C ATOM 755 C THR A 59 5.926 0.683 -10.359 1.00 0.00 C ATOM 756 O THR A 59 5.822 0.816 -9.134 1.00 0.00 O ATOM 757 CB THR A 59 4.794 -1.108 -11.758 1.00 0.03 C ATOM 758 OG1 THR A 59 3.635 -0.868 -10.960 1.00 1.09 O ATOM 759 CG2 THR A 59 4.833 -2.568 -12.188 1.00 1.12 C ATOM 760 H THR A 59 5.654 -2.001 -9.346 1.00 0.00 H ATOM 761 HA THR A 59 6.916 -0.728 -11.664 1.00 0.01 H ATOM 762 HB THR A 59 4.739 -0.494 -12.645 1.00 0.84 H ATOM 763 HG1 THR A 59 3.442 -1.662 -10.429 1.00 1.23 H ATOM 764 HG21 THR A 59 4.906 -3.199 -11.315 1.00 1.79 H ATOM 765 HG22 THR A 59 3.930 -2.807 -12.730 1.00 1.70 H ATOM 766 HG23 THR A 59 5.690 -2.733 -12.826 1.00 1.67 H ATOM 767 N ASP A 60 5.919 1.721 -11.190 1.00 0.00 N ATOM 768 CA ASP A 60 5.776 3.095 -10.694 1.00 0.00 C ATOM 769 C ASP A 60 4.451 3.247 -9.917 1.00 0.00 C ATOM 770 O ASP A 60 4.388 3.977 -8.937 1.00 0.00 O ATOM 771 CB ASP A 60 5.862 4.122 -11.838 1.00 0.03 C ATOM 772 CG ASP A 60 4.595 4.240 -12.662 1.00 1.35 C ATOM 773 OD1 ASP A 60 4.437 3.459 -13.622 1.00 2.18 O1- ATOM 774 OD2 ASP A 60 3.742 5.090 -12.337 1.00 1.89 O ATOM 775 H ASP A 60 6.001 1.565 -12.154 1.00 0.00 H ATOM 776 HA ASP A 60 6.592 3.272 -10.006 1.00 0.01 H ATOM 777 HB2 ASP A 60 6.078 5.093 -11.417 1.00 1.00 H ATOM 778 HB3 ASP A 60 6.670 3.840 -12.497 1.00 1.01 H ATOM 779 N GLU A 61 3.411 2.549 -10.372 1.00 0.00 N ATOM 780 CA GLU A 61 2.090 2.585 -9.735 1.00 0.00 C ATOM 781 C GLU A 61 2.210 2.074 -8.285 1.00 0.00 C ATOM 782 O GLU A 61 1.664 2.669 -7.349 1.00 0.00 O ATOM 783 CB GLU A 61 1.078 1.750 -10.525 1.00 0.03 C ATOM 784 CG GLU A 61 -0.348 1.879 -10.011 1.00 1.28 C ATOM 785 CD GLU A 61 -1.363 1.203 -10.909 1.00 1.80 C ATOM 786 OE1 GLU A 61 -1.850 1.852 -11.860 1.00 2.34 O ATOM 787 OE2 GLU A 61 -1.685 0.022 -10.675 1.00 2.33 O1- ATOM 788 H GLU A 61 3.534 1.981 -11.161 1.00 0.00 H ATOM 789 HA GLU A 61 1.763 3.616 -9.714 1.00 0.01 H ATOM 790 HB2 GLU A 61 1.097 2.064 -11.558 1.00 0.96 H ATOM 791 HB3 GLU A 61 1.365 0.710 -10.469 1.00 0.96 H ATOM 792 HG2 GLU A 61 -0.404 1.428 -9.031 1.00 1.97 H ATOM 793 HG3 GLU A 61 -0.596 2.928 -9.937 1.00 1.97 H ATOM 794 N GLU A 62 2.932 0.970 -8.115 1.00 0.00 N ATOM 795 CA GLU A 62 3.146 0.351 -6.796 1.00 0.00 C ATOM 796 C GLU A 62 4.059 1.211 -5.913 1.00 0.00 C ATOM 797 O GLU A 62 3.849 1.313 -4.703 1.00 0.00 O ATOM 798 CB GLU A 62 3.761 -1.049 -6.885 1.00 0.04 C ATOM 799 CG GLU A 62 2.776 -2.151 -7.219 1.00 0.47 C ATOM 800 CD GLU A 62 2.657 -2.369 -8.699 1.00 1.11 C ATOM 801 OE1 GLU A 62 3.587 -2.934 -9.299 1.00 1.65 O ATOM 802 OE2 GLU A 62 1.612 -2.001 -9.267 1.00 1.99 O1- ATOM 803 H GLU A 62 3.337 0.549 -8.902 1.00 0.00 H ATOM 804 HA GLU A 62 2.182 0.276 -6.315 1.00 0.02 H ATOM 805 HB2 GLU A 62 4.525 -1.043 -7.646 1.00 0.34 H ATOM 806 HB3 GLU A 62 4.218 -1.285 -5.935 1.00 0.34 H ATOM 807 HG2 GLU A 62 3.111 -3.069 -6.760 1.00 1.26 H ATOM 808 HG3 GLU A 62 1.807 -1.883 -6.827 1.00 1.27 H ATOM 809 N ILE A 63 5.067 1.826 -6.526 1.00 0.00 N ATOM 810 CA ILE A 63 6.010 2.688 -5.805 1.00 0.00 C ATOM 811 C ILE A 63 5.259 3.933 -5.295 1.00 0.00 C ATOM 812 O ILE A 63 5.463 4.355 -4.158 1.00 0.00 O ATOM 813 CB ILE A 63 7.189 3.096 -6.715 1.00 0.02 C ATOM 814 CG1 ILE A 63 7.960 1.849 -7.159 1.00 0.04 C ATOM 815 CG2 ILE A 63 8.114 4.067 -6.001 1.00 0.06 C ATOM 816 CD1 ILE A 63 9.082 2.136 -8.132 1.00 0.07 C ATOM 817 H ILE A 63 5.177 1.708 -7.491 1.00 0.00 H ATOM 818 HA ILE A 63 6.395 2.134 -4.959 1.00 0.01 H ATOM 819 HB ILE A 63 6.789 3.591 -7.586 1.00 0.04 H ATOM 820 HG12 ILE A 63 8.390 1.373 -6.290 1.00 0.07 H ATOM 821 HG13 ILE A 63 7.274 1.163 -7.635 1.00 0.06 H ATOM 822 HG21 ILE A 63 8.511 3.598 -5.114 1.00 1.02 H ATOM 823 HG22 ILE A 63 8.924 4.340 -6.659 1.00 1.02 H ATOM 824 HG23 ILE A 63 7.560 4.952 -5.724 1.00 1.02 H ATOM 825 HD11 ILE A 63 9.794 2.805 -7.672 1.00 1.03 H ATOM 826 HD12 ILE A 63 9.575 1.212 -8.396 1.00 1.01 H ATOM 827 HD13 ILE A 63 8.678 2.596 -9.021 1.00 1.02 H ATOM 828 N ASP A 64 4.399 4.506 -6.142 1.00 0.00 N ATOM 829 CA ASP A 64 3.611 5.693 -5.776 1.00 0.00 C ATOM 830 C ASP A 64 2.767 5.325 -4.543 1.00 0.00 C ATOM 831 O ASP A 64 2.707 6.090 -3.588 1.00 0.00 O ATOM 832 CB ASP A 64 2.706 6.156 -6.922 1.00 0.02 C ATOM 833 CG ASP A 64 3.300 7.311 -7.704 1.00 0.76 C ATOM 834 OD1 ASP A 64 3.399 8.424 -7.146 1.00 1.32 O ATOM 835 OD2 ASP A 64 3.657 7.122 -8.884 1.00 1.09 O1- ATOM 836 H ASP A 64 4.280 4.117 -7.033 1.00 0.00 H ATOM 837 HA ASP A 64 4.298 6.485 -5.511 1.00 0.01 H ATOM 838 HB2 ASP A 64 2.545 5.332 -7.600 1.00 0.54 H ATOM 839 HB3 ASP A 64 1.758 6.473 -6.516 1.00 0.57 H ATOM 840 N MET A 65 2.125 4.148 -4.579 1.00 0.00 N ATOM 841 CA MET A 65 1.288 3.665 -3.459 1.00 0.00 C ATOM 842 C MET A 65 2.145 3.503 -2.178 1.00 0.00 C ATOM 843 O MET A 65 1.687 3.820 -1.075 1.00 0.00 O ATOM 844 CB MET A 65 0.638 2.326 -3.821 1.00 0.07 C ATOM 845 CG MET A 65 -0.282 1.770 -2.740 1.00 1.15 C ATOM 846 SD MET A 65 -1.809 2.716 -2.556 1.00 1.82 S ATOM 847 CE MET A 65 -2.598 2.381 -4.132 1.00 2.28 C ATOM 848 H MET A 65 2.220 3.581 -5.375 1.00 0.00 H ATOM 849 HA MET A 65 0.517 4.400 -3.276 1.00 0.03 H ATOM 850 HB2 MET A 65 0.057 2.455 -4.722 1.00 0.91 H ATOM 851 HB3 MET A 65 1.417 1.601 -4.008 1.00 0.91 H ATOM 852 HG2 MET A 65 -0.537 0.753 -2.994 1.00 1.81 H ATOM 853 HG3 MET A 65 0.247 1.781 -1.798 1.00 1.92 H ATOM 854 HE1 MET A 65 -2.750 1.317 -4.240 1.00 2.69 H ATOM 855 HE2 MET A 65 -3.552 2.886 -4.170 1.00 2.74 H ATOM 856 HE3 MET A 65 -1.968 2.736 -4.934 1.00 2.60 H ATOM 857 N ALA A 66 3.377 3.011 -2.331 1.00 0.00 N ATOM 858 CA ALA A 66 4.289 2.826 -1.192 1.00 0.00 C ATOM 859 C ALA A 66 4.582 4.218 -0.575 1.00 0.00 C ATOM 860 O ALA A 66 4.496 4.391 0.649 1.00 0.00 O ATOM 861 CB ALA A 66 5.575 2.146 -1.634 1.00 0.00 C ATOM 862 H ALA A 66 3.688 2.783 -3.231 1.00 0.00 H ATOM 863 HA ALA A 66 3.796 2.205 -0.456 1.00 0.00 H ATOM 864 HB1 ALA A 66 6.060 2.750 -2.387 1.00 1.01 H ATOM 865 HB2 ALA A 66 6.233 2.033 -0.784 1.00 1.01 H ATOM 866 HB3 ALA A 66 5.346 1.174 -2.043 1.00 1.01 H ATOM 867 N PHE A 67 4.921 5.201 -1.418 1.00 0.00 N ATOM 868 CA PHE A 67 5.206 6.548 -0.925 1.00 0.00 C ATOM 869 C PHE A 67 3.954 7.123 -0.242 1.00 0.00 C ATOM 870 O PHE A 67 4.049 7.754 0.808 1.00 0.00 O ATOM 871 CB PHE A 67 5.637 7.480 -2.059 1.00 0.02 C ATOM 872 CG PHE A 67 7.070 7.324 -2.481 1.00 0.69 C ATOM 873 CD1 PHE A 67 8.102 7.700 -1.639 1.00 0.79 C ATOM 874 CD2 PHE A 67 7.381 6.784 -3.716 1.00 1.48 C ATOM 875 CE1 PHE A 67 9.420 7.539 -2.025 1.00 1.35 C ATOM 876 CE2 PHE A 67 8.695 6.624 -4.107 1.00 2.10 C ATOM 877 CZ PHE A 67 9.723 7.068 -3.263 1.00 1.97 C ATOM 878 H PHE A 67 4.973 5.019 -2.380 1.00 0.00 H ATOM 879 HA PHE A 67 6.001 6.476 -0.197 1.00 0.01 H ATOM 880 HB2 PHE A 67 5.018 7.290 -2.922 1.00 0.52 H ATOM 881 HB3 PHE A 67 5.496 8.503 -1.742 1.00 0.53 H ATOM 882 HD1 PHE A 67 7.871 8.121 -0.673 1.00 0.85 H ATOM 883 HD2 PHE A 67 6.583 6.488 -4.380 1.00 1.68 H ATOM 884 HE1 PHE A 67 10.216 7.837 -1.360 1.00 1.48 H ATOM 885 HE2 PHE A 67 8.923 6.204 -5.075 1.00 2.73 H ATOM 886 HZ PHE A 67 10.754 6.968 -3.566 1.00 2.47 H ATOM 887 N GLN A 68 2.788 6.894 -0.844 1.00 0.00 N ATOM 888 CA GLN A 68 1.539 7.393 -0.287 1.00 0.00 C ATOM 889 C GLN A 68 1.276 6.880 1.129 1.00 0.00 C ATOM 890 O GLN A 68 0.769 7.616 1.982 1.00 0.00 O ATOM 891 CB GLN A 68 0.360 7.006 -1.187 1.00 0.03 C ATOM 892 CG GLN A 68 0.354 7.684 -2.552 1.00 1.08 C ATOM 893 CD GLN A 68 -0.139 9.122 -2.518 1.00 1.66 C ATOM 894 OE1 GLN A 68 -0.729 9.602 -3.486 1.00 2.38 O ATOM 895 NE2 GLN A 68 0.104 9.826 -1.425 1.00 2.32 N ATOM 896 H GLN A 68 2.769 6.384 -1.680 1.00 0.00 H ATOM 897 HA GLN A 68 1.604 8.468 -0.254 1.00 0.01 H ATOM 898 HB2 GLN A 68 0.384 5.939 -1.346 1.00 0.82 H ATOM 899 HB3 GLN A 68 -0.559 7.261 -0.680 1.00 0.83 H ATOM 900 HG2 GLN A 68 1.360 7.679 -2.942 1.00 1.81 H ATOM 901 HG3 GLN A 68 -0.286 7.117 -3.212 1.00 1.75 H ATOM 902 HE21 GLN A 68 0.589 9.394 -0.692 1.00 2.52 H ATOM 903 HE22 GLN A 68 -0.216 10.755 -1.389 1.00 2.98 H ATOM 904 N GLN A 69 1.623 5.620 1.369 1.00 0.00 N ATOM 905 CA GLN A 69 1.408 5.014 2.683 1.00 0.00 C ATOM 906 C GLN A 69 2.559 5.101 3.662 1.00 0.00 C ATOM 907 O GLN A 69 2.438 4.635 4.798 1.00 0.00 O ATOM 908 CB GLN A 69 1.024 3.542 2.461 1.00 0.03 C ATOM 909 CG GLN A 69 0.476 2.830 3.690 1.00 1.01 C ATOM 910 CD GLN A 69 0.134 1.379 3.416 1.00 1.49 C ATOM 911 OE1 GLN A 69 0.749 0.729 2.569 1.00 2.11 O ATOM 912 NE2 GLN A 69 -0.852 0.857 4.129 1.00 2.22 N ATOM 913 H GLN A 69 2.017 5.083 0.649 1.00 0.00 H ATOM 914 HA GLN A 69 0.558 5.507 3.124 1.00 0.01 H ATOM 915 HB2 GLN A 69 0.273 3.496 1.688 1.00 0.77 H ATOM 916 HB3 GLN A 69 1.901 3.007 2.126 1.00 0.79 H ATOM 917 HG2 GLN A 69 1.219 2.867 4.474 1.00 1.73 H ATOM 918 HG3 GLN A 69 -0.417 3.341 4.019 1.00 1.67 H ATOM 919 HE21 GLN A 69 -1.300 1.427 4.791 1.00 2.53 H ATOM 920 HE22 GLN A 69 -1.096 -0.083 3.964 1.00 2.80 H ATOM 921 N SER A 70 3.666 5.694 3.225 1.00 0.00 N ATOM 922 CA SER A 70 4.876 5.843 4.043 1.00 0.00 C ATOM 923 C SER A 70 4.817 6.857 5.154 1.00 0.00 C ATOM 924 O SER A 70 5.678 6.870 6.046 1.00 0.00 O ATOM 925 CB SER A 70 6.077 6.153 3.144 1.00 0.02 C ATOM 926 OG SER A 70 5.963 7.433 2.546 1.00 1.27 O ATOM 927 H SER A 70 3.683 6.033 2.305 1.00 0.00 H ATOM 928 HA SER A 70 5.058 4.882 4.496 1.00 0.01 H ATOM 929 HB2 SER A 70 6.981 6.127 3.736 1.00 1.00 H ATOM 930 HB3 SER A 70 6.139 5.410 2.364 1.00 1.00 H ATOM 931 HG SER A 70 5.280 7.416 1.863 1.00 1.94 H ATOM 932 N GLY A 71 3.781 7.682 5.129 1.00 0.04 N ATOM 933 CA GLY A 71 3.622 8.714 6.131 1.00 0.08 C ATOM 934 C GLY A 71 2.692 9.809 5.664 1.00 0.99 C ATOM 935 O GLY A 71 2.155 10.569 6.473 1.00 1.78 O ATOM 936 H GLY A 71 3.109 7.580 4.425 1.00 0.07 H ATOM 937 HA2 GLY A 71 3.222 8.271 7.030 1.00 0.70 H ATOM 938 HA3 GLY A 71 4.589 9.143 6.350 1.00 0.72 H