ATOM 171 N ARG A 25 0.979 -8.342 -4.071 1.00 0.54 N ATOM 172 CA ARG A 25 1.139 -6.913 -4.311 1.00 0.12 C ATOM 173 C ARG A 25 1.127 -6.116 -3.014 1.00 0.03 C ATOM 174 O ARG A 25 2.081 -5.400 -2.723 1.00 0.07 O ATOM 175 CB ARG A 25 0.054 -6.387 -5.248 1.00 0.57 C ATOM 176 CG ARG A 25 0.311 -6.694 -6.713 1.00 1.18 C ATOM 177 CD ARG A 25 -0.747 -6.059 -7.593 1.00 1.47 C ATOM 178 NE ARG A 25 -0.445 -6.199 -9.014 1.00 2.21 N ATOM 179 CZ ARG A 25 -1.361 -6.447 -9.944 1.00 2.75 C ATOM 180 NH1 ARG A 25 -2.627 -6.635 -9.597 1.00 2.84 N1+ ATOM 181 NH2 ARG A 25 -1.014 -6.507 -11.223 1.00 3.57 N ATOM 182 H ARG A 25 0.220 -8.811 -4.474 1.00 0.88 H ATOM 183 HA ARG A 25 2.099 -6.774 -4.786 1.00 0.42 H ATOM 184 HB2 ARG A 25 -0.889 -6.830 -4.970 1.00 1.13 H ATOM 185 HB3 ARG A 25 -0.013 -5.315 -5.134 1.00 1.34 H ATOM 186 HG2 ARG A 25 1.280 -6.306 -6.990 1.00 1.83 H ATOM 187 HG3 ARG A 25 0.295 -7.765 -6.857 1.00 1.66 H ATOM 188 HD2 ARG A 25 -1.695 -6.532 -7.390 1.00 1.61 H ATOM 189 HD3 ARG A 25 -0.810 -5.009 -7.350 1.00 1.83 H ATOM 190 HE ARG A 25 0.499 -6.075 -9.292 1.00 2.61 H ATOM 191 HH11 ARG A 25 -2.902 -6.587 -8.627 1.00 2.62 H ATOM 192 HH12 ARG A 25 -3.317 -6.828 -10.301 1.00 3.41 H ATOM 193 HH21 ARG A 25 -0.055 -6.363 -11.497 1.00 3.91 H ATOM 194 HH22 ARG A 25 -1.705 -6.695 -11.926 1.00 4.01 H ATOM 195 N GLU A 26 0.064 -6.248 -2.222 1.00 0.00 N ATOM 196 CA GLU A 26 -0.044 -5.474 -0.960 1.00 0.00 C ATOM 197 C GLU A 26 1.118 -5.773 -0.001 1.00 0.00 C ATOM 198 O GLU A 26 1.729 -4.839 0.518 1.00 0.00 O ATOM 199 CB GLU A 26 -1.378 -5.735 -0.254 1.00 0.04 C ATOM 200 CG GLU A 26 -2.586 -5.203 -1.003 1.00 1.19 C ATOM 201 CD GLU A 26 -3.860 -5.332 -0.196 1.00 1.92 C ATOM 202 OE1 GLU A 26 -4.409 -6.450 -0.112 1.00 2.56 O1- ATOM 203 OE2 GLU A 26 -4.328 -4.313 0.351 1.00 2.45 O ATOM 204 H GLU A 26 -0.653 -6.871 -2.462 1.00 0.00 H ATOM 205 HA GLU A 26 0.003 -4.428 -1.225 1.00 0.02 H ATOM 206 HB2 GLU A 26 -1.502 -6.799 -0.126 1.00 0.90 H ATOM 207 HB3 GLU A 26 -1.352 -5.266 0.720 1.00 0.91 H ATOM 208 HG2 GLU A 26 -2.425 -4.159 -1.230 1.00 1.89 H ATOM 209 HG3 GLU A 26 -2.700 -5.758 -1.922 1.00 1.78 H ATOM 210 N PRO A 27 1.441 -7.067 0.245 1.00 0.00 N ATOM 211 CA PRO A 27 2.559 -7.411 1.138 1.00 0.00 C ATOM 212 C PRO A 27 3.887 -6.841 0.561 1.00 0.00 C ATOM 213 O PRO A 27 4.757 -6.435 1.323 1.00 0.00 O ATOM 214 CB PRO A 27 2.579 -8.942 1.133 1.00 0.01 C ATOM 215 CG PRO A 27 1.208 -9.342 0.711 1.00 0.46 C ATOM 216 CD PRO A 27 0.736 -8.272 -0.230 1.00 0.02 C ATOM 217 HA PRO A 27 2.403 -7.038 2.141 1.00 0.00 H ATOM 218 HB2 PRO A 27 3.325 -9.293 0.437 1.00 0.34 H ATOM 219 HB3 PRO A 27 2.806 -9.305 2.125 1.00 0.33 H ATOM 220 HG2 PRO A 27 1.243 -10.297 0.207 1.00 0.90 H ATOM 221 HG3 PRO A 27 0.560 -9.395 1.572 1.00 0.90 H ATOM 222 HD2 PRO A 27 1.019 -8.510 -1.245 1.00 0.31 H ATOM 223 HD3 PRO A 27 -0.334 -8.147 -0.153 1.00 0.31 H ATOM 224 N LEU A 28 4.025 -6.816 -0.772 1.00 0.00 N ATOM 225 CA LEU A 28 5.236 -6.279 -1.429 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 6.282 -4.182 -0.820 1.00 0.00 O ATOM 228 CB LEU A 28 5.230 -6.591 -2.928 1.00 0.02 C ATOM 229 CG LEU A 28 6.446 -6.083 -3.704 1.00 0.88 C ATOM 230 CD1 LEU A 28 7.716 -6.769 -3.226 1.00 1.71 C ATOM 231 CD2 LEU A 28 6.248 -6.296 -5.196 1.00 1.57 C ATOM 232 H LEU A 28 3.290 -7.146 -1.330 1.00 0.00 H ATOM 233 HA LEU A 28 6.104 -6.724 -0.962 1.00 0.01 H ATOM 234 HB2 LEU A 28 5.172 -7.663 -3.049 1.00 0.66 H ATOM 235 HB3 LEU A 28 4.345 -6.150 -3.362 1.00 0.66 H ATOM 236 HG LEU A 28 6.556 -5.023 -3.530 1.00 1.72 H ATOM 237 HD11 LEU A 28 7.632 -7.834 -3.382 1.00 2.21 H ATOM 238 HD12 LEU A 28 8.561 -6.390 -3.780 1.00 2.30 H ATOM 239 HD13 LEU A 28 7.858 -6.571 -2.174 1.00 2.22 H ATOM 240 HD21 LEU A 28 5.379 -5.746 -5.526 1.00 2.08 H ATOM 241 HD22 LEU A 28 7.119 -5.946 -5.729 1.00 2.16 H ATOM 242 HD23 LEU A 28 6.104 -7.347 -5.394 1.00 2.08 H ATOM 243 N ILE A 29 4.117 -4.084 -1.428 1.00 0.01 N ATOM 244 CA ILE A 29 4.002 -2.630 -1.222 1.00 0.01 C ATOM 245 C ILE A 29 4.324 -2.366 0.273 1.00 0.00 C ATOM 246 O ILE A 29 5.052 -1.433 0.594 1.00 0.00 O ATOM 247 CB ILE A 29 2.595 -2.105 -1.581 1.00 0.06 C ATOM 248 CG1 ILE A 29 2.315 -2.345 -3.068 1.00 0.43 C ATOM 249 CG2 ILE A 29 2.475 -0.624 -1.248 1.00 0.43 C ATOM 250 CD1 ILE A 29 0.901 -2.020 -3.488 1.00 1.07 C ATOM 251 H ILE A 29 3.330 -4.584 -1.717 1.00 0.01 H ATOM 252 HA ILE A 29 4.739 -2.137 -1.842 1.00 0.03 H ATOM 253 HB ILE A 29 1.868 -2.645 -0.991 1.00 0.37 H ATOM 254 HG12 ILE A 29 2.982 -1.729 -3.652 1.00 0.90 H ATOM 255 HG13 ILE A 29 2.500 -3.385 -3.297 1.00 0.97 H ATOM 256 HG21 ILE A 29 3.211 -0.069 -1.811 1.00 1.13 H ATOM 257 HG22 ILE A 29 1.486 -0.275 -1.505 1.00 1.12 H ATOM 258 HG23 ILE A 29 2.645 -0.477 -0.191 1.00 1.15 H ATOM 259 HD11 ILE A 29 0.699 -0.976 -3.297 1.00 1.64 H ATOM 260 HD12 ILE A 29 0.784 -2.222 -4.543 1.00 1.64 H ATOM 261 HD13 ILE A 29 0.209 -2.629 -2.927 1.00 1.63 H ATOM 262 N ALA A 30 3.785 -3.199 1.173 1.00 0.00 N ATOM 263 CA ALA A 30 4.038 -3.052 2.617 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 6.094 -2.372 3.679 1.00 0.00 O ATOM 266 CB ALA A 30 3.299 -4.127 3.399 1.00 0.01 C ATOM 267 H ALA A 30 3.218 -3.932 0.862 1.00 0.00 H ATOM 268 HA ALA A 30 3.673 -2.082 2.929 1.00 0.00 H ATOM 269 HB1 ALA A 30 3.640 -5.102 3.083 1.00 1.02 H ATOM 270 HB2 ALA A 30 3.496 -4.002 4.453 1.00 1.02 H ATOM 271 HB3 ALA A 30 2.239 -4.039 3.218 1.00 1.02 H ATOM 272 N THR A 31 6.249 -4.053 2.194 1.00 0.00 N ATOM 273 CA THR A 31 7.703 -4.217 2.347 1.00 0.00 C ATOM 274 C THR A 31 8.402 -2.938 1.840 1.00 0.00 C ATOM 275 O THR A 31 9.347 -2.450 2.461 1.00 0.00 O ATOM 276 CB THR A 31 8.293 -5.490 1.682 1.00 0.08 C ATOM 277 OG1 THR A 31 8.113 -5.491 0.266 1.00 0.99 O ATOM 278 CG2 THR A 31 7.661 -6.740 2.273 1.00 1.09 C ATOM 279 H THR A 31 5.770 -4.631 1.562 1.00 0.00 H ATOM 280 HA THR A 31 7.892 -4.287 3.413 1.00 0.04 H ATOM 281 HB THR A 31 9.351 -5.520 1.893 1.00 0.89 H ATOM 282 HG1 THR A 31 7.358 -4.939 0.033 1.00 1.34 H ATOM 283 HG21 THR A 31 6.595 -6.722 2.098 1.00 1.71 H ATOM 284 HG22 THR A 31 8.089 -7.615 1.805 1.00 1.64 H ATOM 285 HG23 THR A 31 7.851 -6.771 3.336 1.00 1.70 H ATOM 286 N ALA A 32 7.921 -2.405 0.712 1.00 0.00 N ATOM 287 CA ALA A 32 8.474 -1.180 0.115 1.00 0.00 C ATOM 288 C ALA A 32 8.276 0.009 1.083 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 7.813 -0.895 -1.223 1.00 0.00 C ATOM 291 H ALA A 32 7.162 -2.842 0.271 1.00 0.00 H ATOM 292 HA ALA A 32 9.532 -1.332 -0.048 1.00 0.00 H ATOM 293 HB1 ALA A 32 6.752 -0.755 -1.077 1.00 1.02 H ATOM 294 HB2 ALA A 32 8.240 0.001 -1.650 1.00 1.02 H ATOM 295 HB3 ALA A 32 7.979 -1.727 -1.890 1.00 1.02 H ATOM 296 N VAL A 33 7.161 0.022 1.822 1.00 0.00 N ATOM 297 CA VAL A 33 6.889 1.093 2.783 1.00 0.00 C ATOM 298 C VAL A 33 7.981 1.044 3.892 1.00 0.00 C ATOM 299 O VAL A 33 8.515 2.082 4.285 1.00 0.00 O ATOM 300 CB VAL A 33 5.487 0.967 3.423 1.00 0.01 C ATOM 301 CG1 VAL A 33 5.279 2.037 4.485 1.00 0.03 C ATOM 302 CG2 VAL A 33 4.402 1.061 2.360 1.00 0.02 C ATOM 303 H VAL A 33 6.520 -0.715 1.733 1.00 0.00 H ATOM 304 HA VAL A 33 6.956 2.039 2.262 1.00 0.00 H ATOM 305 HB VAL A 33 5.415 -0.001 3.897 1.00 0.02 H ATOM 306 HG11 VAL A 33 5.365 3.015 4.034 1.00 1.02 H ATOM 307 HG12 VAL A 33 4.296 1.926 4.920 1.00 1.02 H ATOM 308 HG13 VAL A 33 6.028 1.928 5.256 1.00 1.02 H ATOM 309 HG21 VAL A 33 4.535 0.267 1.641 1.00 1.02 H ATOM 310 HG22 VAL A 33 3.433 0.968 2.827 1.00 1.01 H ATOM 311 HG23 VAL A 33 4.471 2.015 1.859 1.00 1.02 H ATOM 312 N LYS A 34 8.299 -0.166 4.375 1.00 0.00 N ATOM 313 CA LYS A 34 9.318 -0.366 5.430 1.00 0.00 C ATOM 314 C LYS A 34 10.671 0.110 4.923 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 9.387 -1.856 5.775 1.00 0.03 C ATOM 317 CG LYS A 34 10.477 -2.226 6.768 1.00 1.12 C ATOM 318 CD LYS A 34 10.789 -3.716 6.707 1.00 1.73 C ATOM 319 CE LYS A 34 9.553 -4.565 6.965 1.00 2.35 C ATOM 320 NZ LYS A 34 9.811 -6.012 6.730 1.00 3.06 N1+ ATOM 321 H LYS A 34 7.834 -0.950 4.016 1.00 0.00 H ATOM 322 HA LYS A 34 9.033 0.201 6.304 1.00 0.01 H ATOM 323 HB2 LYS A 34 8.439 -2.159 6.191 1.00 0.84 H ATOM 324 HB3 LYS A 34 9.561 -2.412 4.864 1.00 0.85 H ATOM 325 HG2 LYS A 34 11.372 -1.670 6.530 1.00 1.72 H ATOM 326 HG3 LYS A 34 10.146 -1.974 7.764 1.00 1.88 H ATOM 327 HD2 LYS A 34 11.175 -3.952 5.727 1.00 2.30 H ATOM 328 HD3 LYS A 34 11.534 -3.946 7.453 1.00 2.16 H ATOM 329 HE2 LYS A 34 9.243 -4.427 7.991 1.00 2.73 H ATOM 330 HE3 LYS A 34 8.763 -4.237 6.305 1.00 2.73 H ATOM 331 HZ1 LYS A 34 10.631 -6.327 7.290 1.00 3.51 H ATOM 332 HZ2 LYS A 34 8.975 -6.575 7.004 1.00 3.43 H ATOM 333 HZ3 LYS A 34 10.013 -6.182 5.719 1.00 3.37 H ATOM 334 N PHE A 35 10.949 -0.222 3.661 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 3.426 1.00 0.00 O ATOM 338 CB PHE A 35 12.222 -0.393 1.572 1.00 0.02 C ATOM 339 CG PHE A 35 13.412 0.042 0.759 1.00 0.15 C ATOM 340 CD1 PHE A 35 14.678 -0.436 1.060 1.00 0.28 C ATOM 341 CD2 PHE A 35 13.271 0.940 -0.288 1.00 0.32 C ATOM 342 CE1 PHE A 35 15.779 -0.032 0.330 1.00 0.39 C ATOM 343 CE2 PHE A 35 14.371 1.349 -1.019 1.00 0.43 C ATOM 344 CZ PHE A 35 15.595 0.827 -0.773 1.00 0.43 C ATOM 345 H PHE A 35 10.283 -0.730 3.152 1.00 0.00 H ATOM 346 HA PHE A 35 13.015 -0.230 3.568 1.00 0.01 H ATOM 347 HB2 PHE A 35 12.235 -1.472 1.621 1.00 0.09 H ATOM 348 HB3 PHE A 35 11.330 -0.076 1.050 1.00 0.12 H ATOM 349 HD1 PHE A 35 12.289 1.319 -0.536 1.00 0.43 H ATOM 350 HD2 PHE A 35 14.800 -1.137 1.873 1.00 0.39 H ATOM 351 HE1 PHE A 35 14.248 2.048 -1.832 1.00 0.58 H ATOM 352 HE2 PHE A 35 16.759 -0.415 0.574 1.00 0.52 H ATOM 353 HZ PHE A 35 16.443 1.130 -1.369 1.00 0.54 H ATOM 354 N LEU A 36 11.203 2.375 2.507 1.00 0.00 N ATOM 355 CA LEU A 36 11.139 3.846 2.433 1.00 0.00 C ATOM 356 C LEU A 36 11.176 4.556 3.781 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 9.887 4.290 1.670 1.00 0.02 C ATOM 359 CG LEU A 36 10.074 4.497 0.164 1.00 0.86 C ATOM 360 CD1 LEU A 36 11.109 5.579 -0.099 1.00 1.51 C ATOM 361 CD2 LEU A 36 10.478 3.200 -0.515 1.00 1.55 C ATOM 362 H LEU A 36 10.442 1.859 2.177 1.00 0.00 H ATOM 363 HA LEU A 36 11.999 4.169 1.869 1.00 0.01 H ATOM 364 HB2 LEU A 36 9.120 3.541 1.816 1.00 0.65 H ATOM 365 HB3 LEU A 36 9.543 5.218 2.098 1.00 0.66 H ATOM 366 HG LEU A 36 9.137 4.822 -0.266 1.00 1.77 H ATOM 367 HD11 LEU A 36 12.052 5.288 0.340 1.00 2.07 H ATOM 368 HD12 LEU A 36 11.233 5.710 -1.164 1.00 2.05 H ATOM 369 HD13 LEU A 36 10.778 6.508 0.341 1.00 2.02 H ATOM 370 HD21 LEU A 36 9.721 2.450 -0.336 1.00 2.06 H ATOM 371 HD22 LEU A 36 10.577 3.365 -1.578 1.00 2.09 H ATOM 372 HD23 LEU A 36 11.422 2.861 -0.112 1.00 2.10 H ATOM 373 N GLN A 37 10.801 3.852 4.840 1.00 0.00 N ATOM 374 CA GLN A 37 10.803 4.429 6.185 1.00 0.00 C ATOM 375 C GLN A 37 12.159 4.237 6.892 1.00 0.00 C ATOM 376 O GLN A 37 12.402 4.822 7.955 1.00 0.00 O ATOM 377 CB GLN A 37 9.690 3.767 7.005 1.00 0.04 C ATOM 378 CG GLN A 37 9.489 4.355 8.392 1.00 1.15 C ATOM 379 CD GLN A 37 8.556 3.516 9.240 1.00 1.62 C ATOM 380 OE1 GLN A 37 8.483 2.297 9.083 1.00 2.24 O ATOM 381 NE2 GLN A 37 7.840 4.157 10.146 1.00 2.28 N ATOM 382 H GLN A 37 10.523 2.921 4.721 1.00 0.00 H ATOM 383 HA GLN A 37 10.596 5.484 6.098 1.00 0.02 H ATOM 384 HB2 GLN A 37 8.759 3.862 6.465 1.00 0.88 H ATOM 385 HB3 GLN A 37 9.921 2.717 7.116 1.00 0.90 H ATOM 386 HG2 GLN A 37 10.446 4.416 8.887 1.00 1.87 H ATOM 387 HG3 GLN A 37 9.070 5.346 8.292 1.00 1.80 H ATOM 388 HE21 GLN A 37 7.948 5.131 10.222 1.00 2.58 H ATOM 389 HE22 GLN A 37 7.227 3.631 10.708 1.00 2.84 H ATOM 390 N ASN A 38 13.034 3.421 6.301 1.00 0.00 N ATOM 391 CA ASN A 38 14.366 3.137 6.871 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 15.328 5.095 5.902 1.00 0.00 O ATOM 394 CB ASN A 38 15.051 2.035 6.061 1.00 0.03 C ATOM 395 CG ASN A 38 16.437 1.700 6.575 1.00 0.88 C ATOM 396 OD1 ASN A 38 17.425 2.322 6.186 1.00 1.66 O ATOM 397 ND2 ASN A 38 16.518 0.704 7.440 1.00 1.27 N ATOM 398 H ASN A 38 12.778 2.986 5.464 1.00 0.00 H ATOM 399 HA ASN A 38 14.226 2.790 7.884 1.00 0.01 H ATOM 400 HB2 ASN A 38 14.447 1.142 6.103 1.00 0.64 H ATOM 401 HB3 ASN A 38 15.136 2.356 5.032 1.00 0.65 H ATOM 402 HD21 ASN A 38 15.691 0.246 7.696 1.00 1.47 H ATOM 403 HD22 ASN A 38 17.407 0.459 7.787 1.00 1.74 H ATOM 404 N SER A 39 15.892 4.620 8.029 1.00 0.00 N ATOM 405 CA SER A 39 16.761 5.790 8.205 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 7.072 6.660 1.00 0.00 O ATOM 408 CB SER A 39 17.378 5.729 9.603 1.00 0.02 C ATOM 409 OG SER A 39 17.892 4.431 9.876 1.00 1.29 O ATOM 410 H SER A 39 15.771 4.008 8.782 1.00 0.00 H ATOM 411 HA SER A 39 16.127 6.661 8.166 1.00 0.01 H ATOM 412 HB2 SER A 39 18.186 6.443 9.669 1.00 0.98 H ATOM 413 HB3 SER A 39 16.625 5.967 10.338 1.00 0.98 H ATOM 414 HG SER A 39 17.155 3.812 10.006 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 19.644 4.926 5.883 1.00 0.00 C ATOM 417 C ARG A 40 19.071 5.182 4.491 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 20.466 3.644 5.922 1.00 0.04 C ATOM 420 CG ARG A 40 21.826 3.795 6.597 1.00 0.70 C ATOM 421 CD ARG A 40 21.718 4.231 8.054 1.00 1.41 C ATOM 422 NE ARG A 40 21.319 5.633 8.200 1.00 2.12 N ATOM 423 CZ ARG A 40 21.103 6.227 9.374 1.00 3.08 C ATOM 424 NH1 ARG A 40 21.298 5.560 10.506 1.00 3.56 N1+ ATOM 425 NH2 ARG A 40 20.706 7.493 9.411 1.00 3.96 N ATOM 426 H ARG A 40 18.355 4.034 7.310 1.00 0.00 H ATOM 427 HA ARG A 40 20.284 5.758 6.143 1.00 0.02 H ATOM 428 HB2 ARG A 40 19.907 2.890 6.456 1.00 0.54 H ATOM 429 HB3 ARG A 40 20.629 3.305 4.910 1.00 0.52 H ATOM 430 HG2 ARG A 40 22.338 2.845 6.559 1.00 1.32 H ATOM 431 HG3 ARG A 40 22.400 4.532 6.054 1.00 1.49 H ATOM 432 HD2 ARG A 40 20.985 3.610 8.545 1.00 2.05 H ATOM 433 HD3 ARG A 40 22.679 4.091 8.527 1.00 1.97 H ATOM 434 HE ARG A 40 21.200 6.157 7.377 1.00 2.34 H ATOM 435 HH11 ARG A 40 21.608 4.603 10.483 1.00 3.37 H ATOM 436 HH12 ARG A 40 21.139 6.011 11.394 1.00 4.39 H ATOM 437 HH21 ARG A 40 20.566 8.007 8.554 1.00 4.11 H ATOM 438 HH22 ARG A 40 20.547 7.952 10.296 1.00 4.69 H ATOM 439 N VAL A 41 17.959 4.517 4.185 1.00 0.00 N ATOM 440 CA VAL A 41 17.311 4.666 2.889 1.00 0.00 C ATOM 441 C VAL A 41 16.862 6.104 2.634 1.00 0.00 C ATOM 442 O VAL A 41 17.040 6.627 1.534 1.00 0.00 O ATOM 443 CB VAL A 41 16.114 3.712 2.757 1.00 0.03 C ATOM 444 CG1 VAL A 41 15.354 3.952 1.459 1.00 0.06 C ATOM 445 CG2 VAL A 41 16.611 2.282 2.825 1.00 0.10 C ATOM 446 H VAL A 41 17.570 3.908 4.845 1.00 0.00 H ATOM 447 HA VAL A 41 18.033 4.379 2.137 1.00 0.02 H ATOM 448 HB VAL A 41 15.443 3.880 3.586 1.00 0.07 H ATOM 449 HG11 VAL A 41 16.015 3.797 0.620 1.00 1.02 H ATOM 450 HG12 VAL A 41 14.523 3.263 1.395 1.00 1.02 H ATOM 451 HG13 VAL A 41 14.982 4.966 1.442 1.00 1.01 H ATOM 452 HG21 VAL A 41 17.384 2.134 2.082 1.00 1.02 H ATOM 453 HG22 VAL A 41 17.018 2.089 3.807 1.00 1.03 H ATOM 454 HG23 VAL A 41 15.792 1.605 2.634 1.00 1.01 H ATOM 455 N ARG A 42 16.288 6.739 3.656 1.00 0.00 N ATOM 456 CA ARG A 42 15.810 8.122 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 10.266 2.848 1.00 0.00 O ATOM 459 CB ARG A 42 15.040 8.529 4.797 1.00 0.05 C ATOM 460 CG ARG A 42 13.624 7.979 4.827 1.00 1.16 C ATOM 461 CD ARG A 42 12.871 8.433 6.062 1.00 1.46 C ATOM 462 NE ARG A 42 11.444 8.137 5.967 1.00 2.00 N ATOM 463 CZ ARG A 42 10.649 7.935 7.015 1.00 2.62 C ATOM 464 NH1 ARG A 42 11.155 7.907 8.243 1.00 2.86 N1+ ATOM 465 NH2 ARG A 42 9.351 7.744 6.824 1.00 3.47 N ATOM 466 H ARG A 42 16.176 6.266 4.506 1.00 0.00 H ATOM 467 HA ARG A 42 15.121 8.142 2.712 1.00 0.02 H ATOM 468 HB2 ARG A 42 15.568 8.164 5.666 1.00 0.90 H ATOM 469 HB3 ARG A 42 14.987 9.607 4.841 1.00 0.91 H ATOM 470 HG2 ARG A 42 13.096 8.322 3.950 1.00 1.86 H ATOM 471 HG3 ARG A 42 13.671 6.899 4.822 1.00 1.85 H ATOM 472 HD2 ARG A 42 13.278 7.924 6.924 1.00 1.94 H ATOM 473 HD3 ARG A 42 13.002 9.499 6.179 1.00 1.92 H ATOM 474 HE ARG A 42 11.050 8.110 5.066 1.00 2.39 H ATOM 475 HH11 ARG A 42 12.143 8.034 8.387 1.00 2.73 H ATOM 476 HH12 ARG A 42 10.552 7.767 9.040 1.00 3.50 H ATOM 477 HH21 ARG A 42 8.973 7.756 5.889 1.00 3.81 H ATOM 478 HH22 ARG A 42 8.735 7.578 7.607 1.00 4.00 H ATOM 479 N GLN A 43 18.162 8.723 3.449 1.00 0.00 N ATOM 480 CA GLN A 43 19.303 9.596 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 20.325 10.618 1.280 1.00 0.00 O ATOM 483 CB GLN A 43 20.527 9.132 3.996 1.00 0.03 C ATOM 484 CG GLN A 43 20.827 9.982 5.223 1.00 1.21 C ATOM 485 CD GLN A 43 19.805 9.823 6.333 1.00 1.79 C ATOM 486 OE1 GLN A 43 19.957 8.975 7.211 1.00 2.41 O ATOM 487 NE2 GLN A 43 18.763 10.637 6.311 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 19.030 10.584 3.543 1.00 0.01 H ATOM 490 HB2 GLN A 43 20.364 8.116 4.323 1.00 0.91 H ATOM 491 HB3 GLN A 43 21.390 9.158 3.348 1.00 0.92 H ATOM 492 HG2 GLN A 43 21.794 9.698 5.608 1.00 1.94 H ATOM 493 HG3 GLN A 43 20.854 11.021 4.924 1.00 1.86 H ATOM 494 HE21 GLN A 43 18.701 11.298 5.579 1.00 2.72 H ATOM 495 HE22 GLN A 43 18.099 10.561 7.029 1.00 3.10 H ATOM 496 N SER A 44 19.193 8.696 0.951 1.00 0.00 N ATOM 497 CA SER A 44 19.470 8.664 -0.476 1.00 0.00 C ATOM 498 C SER A 44 18.527 9.548 -1.272 1.00 0.00 C ATOM 499 O SER A 44 17.390 9.780 -0.843 1.00 0.00 O ATOM 500 CB SER A 44 19.338 7.242 -0.986 1.00 0.04 C ATOM 501 OG SER A 44 17.990 6.828 -0.932 1.00 0.95 O ATOM 502 H SER A 44 18.667 7.974 1.355 1.00 0.00 H ATOM 503 HA SER A 44 20.482 8.989 -0.627 1.00 0.02 H ATOM 504 HB2 SER A 44 19.681 7.192 -2.009 1.00 0.70 H ATOM 505 HB3 SER A 44 19.931 6.582 -0.371 1.00 0.73 H ATOM 506 HG SER A 44 17.722 6.715 -0.010 1.00 1.34 H ATOM 507 N PRO A 45 18.975 10.057 -2.441 1.00 0.00 N ATOM 508 CA PRO A 45 18.120 10.904 -3.261 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 18.975 11.191 -4.500 1.00 0.00 C ATOM 512 CG PRO A 45 20.380 10.951 -4.063 1.00 0.02 C ATOM 513 CD PRO A 45 20.311 9.867 -3.025 1.00 0.01 C ATOM 514 HA PRO A 45 17.871 11.828 -2.758 1.00 0.00 H ATOM 515 HB2 PRO A 45 18.690 10.522 -5.299 1.00 0.01 H ATOM 516 HB3 PRO A 45 18.830 12.215 -4.811 1.00 0.01 H ATOM 517 HG2 PRO A 45 20.977 10.627 -4.903 1.00 0.03 H ATOM 518 HG3 PRO A 45 20.791 11.853 -3.635 1.00 0.03 H ATOM 519 HD2 PRO A 45 20.397 8.894 -3.485 1.00 0.02 H ATOM 520 HD3 PRO A 45 21.081 10.006 -2.280 1.00 0.02 H ATOM 521 N LEU A 46 15.751 10.913 -3.786 1.00 0.00 N ATOM 522 CA LEU A 46 14.464 10.344 -4.151 1.00 0.00 C ATOM 523 C LEU A 46 14.556 9.406 -5.367 1.00 0.00 C ATOM 524 O LEU A 46 14.076 8.270 -5.305 1.00 0.00 O ATOM 525 CB LEU A 46 13.407 11.437 -4.401 1.00 0.03 C ATOM 526 CG LEU A 46 13.703 12.435 -5.528 1.00 1.24 C ATOM 527 CD1 LEU A 46 12.413 13.059 -6.030 1.00 2.00 C ATOM 528 CD2 LEU A 46 14.647 13.526 -5.049 1.00 1.95 C ATOM 529 H LEU A 46 15.820 11.880 -3.646 1.00 0.00 H ATOM 530 HA LEU A 46 14.138 9.753 -3.308 1.00 0.02 H ATOM 531 HB2 LEU A 46 12.471 10.949 -4.626 1.00 0.96 H ATOM 532 HB3 LEU A 46 13.285 11.995 -3.484 1.00 0.96 H ATOM 533 HG LEU A 46 14.172 11.916 -6.352 1.00 2.05 H ATOM 534 HD11 LEU A 46 11.934 13.595 -5.223 1.00 2.44 H ATOM 535 HD12 LEU A 46 12.633 13.743 -6.836 1.00 2.51 H ATOM 536 HD13 LEU A 46 11.752 12.282 -6.387 1.00 2.49 H ATOM 537 HD21 LEU A 46 15.580 13.084 -4.735 1.00 2.36 H ATOM 538 HD22 LEU A 46 14.831 14.222 -5.856 1.00 2.49 H ATOM 539 HD23 LEU A 46 14.199 14.050 -4.218 1.00 2.42 H ATOM 540 N ALA A 47 15.168 9.880 -6.457 1.00 0.00 N ATOM 541 CA ALA A 47 15.314 9.084 -7.683 1.00 0.00 C ATOM 542 C ALA A 47 15.965 7.735 -7.428 1.00 0.00 C ATOM 543 O ALA A 47 15.615 6.731 -8.062 1.00 0.00 O ATOM 544 CB ALA A 47 16.113 9.858 -8.721 1.00 0.01 C ATOM 545 H ALA A 47 15.524 10.791 -6.439 1.00 0.00 H ATOM 546 HA ALA A 47 14.325 8.920 -8.086 1.00 0.00 H ATOM 547 HB1 ALA A 47 17.119 10.014 -8.359 1.00 1.02 H ATOM 548 HB2 ALA A 47 16.145 9.297 -9.642 1.00 1.02 H ATOM 549 HB3 ALA A 47 15.642 10.814 -8.898 1.00 1.02 H ATOM 550 N THR A 48 16.914 7.731 -6.494 1.00 0.00 N ATOM 551 CA THR A 48 17.672 6.529 -6.092 1.00 0.00 C ATOM 552 C THR A 48 16.740 5.528 -5.404 1.00 0.00 C ATOM 553 O THR A 48 16.797 4.330 -5.683 1.00 0.00 O ATOM 554 CB THR A 48 18.825 6.898 -5.144 1.00 0.02 C ATOM 555 OG1 THR A 48 19.540 8.025 -5.670 1.00 0.11 O ATOM 556 CG2 THR A 48 19.776 5.726 -4.970 1.00 0.13 C ATOM 557 H THR A 48 17.123 8.577 -6.045 1.00 0.00 H ATOM 558 HA THR A 48 18.085 6.076 -6.982 1.00 0.01 H ATOM 559 HB THR A 48 18.412 7.158 -4.180 1.00 0.10 H ATOM 560 HG1 THR A 48 20.309 7.716 -6.176 1.00 0.61 H ATOM 561 HG21 THR A 48 20.195 5.456 -5.928 1.00 1.02 H ATOM 562 HG22 THR A 48 20.573 6.005 -4.295 1.00 1.01 H ATOM 563 HG23 THR A 48 19.237 4.883 -4.562 1.00 1.02 H ATOM 564 N ARG A 49 15.884 6.029 -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 13.903 4.581 -4.774 1.00 0.00 C ATOM 567 O ARG A 49 13.604 3.387 -4.701 1.00 0.00 O ATOM 568 CB ARG A 49 14.157 5.999 -2.725 1.00 0.04 C ATOM 569 CG ARG A 49 14.978 6.372 -1.508 1.00 0.59 C ATOM 570 CD ARG A 49 15.099 7.878 -1.362 1.00 0.63 C ATOM 571 NE ARG A 49 13.803 8.537 -1.203 1.00 1.10 N ATOM 572 CZ ARG A 49 13.636 9.697 -0.570 1.00 1.25 C ATOM 573 NH1 ARG A 49 14.683 10.326 -0.049 1.00 1.08 N1+ ATOM 574 NH2 ARG A 49 12.422 10.223 -0.473 1.00 2.30 N ATOM 575 H ARG A 49 15.891 6.995 -4.338 1.00 0.00 H ATOM 576 HA ARG A 49 15.468 4.393 -3.295 1.00 0.01 H ATOM 577 HB2 ARG A 49 13.798 6.909 -3.181 1.00 0.46 H ATOM 578 HB3 ARG A 49 13.308 5.417 -2.394 1.00 0.44 H ATOM 579 HG2 ARG A 49 14.499 5.972 -0.626 1.00 0.94 H ATOM 580 HG3 ARG A 49 15.967 5.948 -1.607 1.00 0.99 H ATOM 581 HD2 ARG A 49 15.707 8.095 -0.495 1.00 1.46 H ATOM 582 HD3 ARG A 49 15.585 8.272 -2.244 1.00 1.27 H ATOM 583 HE ARG A 49 13.014 8.091 -1.594 1.00 1.87 H ATOM 584 HH11 ARG A 49 15.603 9.931 -0.133 1.00 1.45 H ATOM 585 HH12 ARG A 49 14.563 11.206 0.438 1.00 1.38 H ATOM 586 HH21 ARG A 49 11.635 9.744 -0.877 1.00 3.06 H ATOM 587 HH22 ARG A 49 12.280 11.104 0.002 1.00 2.44 H ATOM 588 N ARG A 50 13.384 5.391 -5.694 1.00 0.00 N ATOM 589 CA ARG A 50 12.423 4.897 -6.678 1.00 0.00 C ATOM 590 C ARG A 50 13.080 3.842 -7.584 1.00 0.00 C ATOM 591 O ARG A 50 12.506 2.779 -7.824 1.00 0.00 O ATOM 592 CB ARG A 50 11.927 6.077 -7.513 1.00 0.06 C ATOM 593 CG ARG A 50 10.848 5.734 -8.519 1.00 1.20 C ATOM 594 CD ARG A 50 10.541 6.938 -9.388 1.00 1.36 C ATOM 595 NE ARG A 50 9.433 6.704 -10.304 1.00 1.99 N ATOM 596 CZ ARG A 50 9.472 7.002 -11.601 1.00 2.57 C ATOM 597 NH1 ARG A 50 10.602 7.423 -12.156 1.00 2.76 N1+ ATOM 598 NH2 ARG A 50 8.384 6.861 -12.344 1.00 3.51 N ATOM 599 H ARG A 50 13.654 6.333 -5.715 1.00 0.00 H ATOM 600 HA ARG A 50 11.592 4.451 -6.152 1.00 0.03 H ATOM 601 HB2 ARG A 50 11.533 6.829 -6.846 1.00 0.92 H ATOM 602 HB3 ARG A 50 12.766 6.494 -8.050 1.00 0.94 H ATOM 603 HG2 ARG A 50 11.190 4.922 -9.144 1.00 1.92 H ATOM 604 HG3 ARG A 50 9.952 5.440 -7.993 1.00 1.88 H ATOM 605 HD2 ARG A 50 10.292 7.772 -8.748 1.00 1.81 H ATOM 606 HD3 ARG A 50 11.423 7.181 -9.962 1.00 1.78 H ATOM 607 HE ARG A 50 8.599 6.345 -9.921 1.00 2.50 H ATOM 608 HH11 ARG A 50 11.438 7.511 -11.604 1.00 2.62 H ATOM 609 HH12 ARG A 50 10.624 7.666 -13.131 1.00 3.43 H ATOM 610 HH21 ARG A 50 7.524 6.532 -11.925 1.00 3.92 H ATOM 611 HH22 ARG A 50 8.406 7.075 -13.327 1.00 4.04 H ATOM 612 N ALA A 51 14.283 4.148 -8.081 1.00 0.00 N ATOM 613 CA ALA A 51 15.021 3.234 -8.959 1.00 0.00 C ATOM 614 C ALA A 51 15.345 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 16.299 3.893 -9.453 1.00 0.01 C ATOM 617 H ALA A 51 14.684 5.010 -7.851 1.00 0.00 H ATOM 618 HA ALA A 51 14.398 3.024 -9.817 1.00 0.00 H ATOM 619 HB1 ALA A 51 16.955 4.080 -8.615 1.00 1.00 H ATOM 620 HB2 ALA A 51 16.792 3.240 -10.157 1.00 1.01 H ATOM 621 HB3 ALA A 51 16.057 4.829 -9.937 1.00 1.00 H ATOM 622 N PHE A 52 15.672 1.999 -6.957 1.00 0.00 N ATOM 623 CA PHE A 52 15.992 0.791 -6.194 1.00 0.00 C ATOM 624 C PHE A 52 14.749 -0.113 -6.200 1.00 0.00 C ATOM 625 O PHE A 52 14.844 -1.311 -6.466 1.00 0.00 O ATOM 626 CB PHE A 52 16.480 1.067 -4.776 1.00 0.05 C ATOM 627 CG PHE A 52 17.613 0.148 -4.409 1.00 0.37 C ATOM 628 CD1 PHE A 52 18.910 0.461 -4.782 1.00 0.60 C ATOM 629 CD2 PHE A 52 17.388 -1.038 -3.723 1.00 0.62 C ATOM 630 CE1 PHE A 52 19.959 -0.385 -4.481 1.00 0.89 C ATOM 631 CE2 PHE A 52 18.436 -1.883 -3.417 1.00 0.89 C ATOM 632 CZ PHE A 52 19.722 -1.558 -3.797 1.00 0.99 C ATOM 633 H PHE A 52 15.691 2.871 -6.512 1.00 0.00 H ATOM 634 HA PHE A 52 16.777 0.277 -6.738 1.00 0.02 H ATOM 635 HB2 PHE A 52 16.828 2.088 -4.705 1.00 0.20 H ATOM 636 HB3 PHE A 52 15.673 0.907 -4.078 1.00 0.24 H ATOM 637 HD1 PHE A 52 19.098 1.381 -5.316 1.00 0.67 H ATOM 638 HD2 PHE A 52 16.386 -1.302 -3.421 1.00 0.69 H ATOM 639 HE1 PHE A 52 20.964 -0.128 -4.780 1.00 1.10 H ATOM 640 HE2 PHE A 52 18.248 -2.802 -2.881 1.00 1.11 H ATOM 641 HZ PHE A 52 20.540 -2.221 -3.559 1.00 1.23 H ATOM 642 N LEU A 53 13.585 0.473 -5.914 1.00 0.00 N ATOM 643 CA LEU A 53 12.321 -0.273 -5.894 1.00 0.00 C ATOM 644 C LEU A 53 11.990 -0.851 -7.289 1.00 0.00 C ATOM 645 O LEU A 53 11.457 -1.963 -7.395 1.00 0.00 O ATOM 646 CB LEU A 53 11.169 0.620 -5.433 1.00 0.02 C ATOM 647 CG LEU A 53 11.206 1.035 -3.965 1.00 0.55 C ATOM 648 CD1 LEU A 53 10.008 1.909 -3.643 1.00 1.25 C ATOM 649 CD2 LEU A 53 11.230 -0.190 -3.064 1.00 1.14 C ATOM 650 H LEU A 53 13.573 1.431 -5.716 1.00 0.00 H ATOM 651 HA LEU A 53 12.433 -1.091 -5.198 1.00 0.01 H ATOM 652 HB2 LEU A 53 11.174 1.515 -6.038 1.00 0.42 H ATOM 653 HB3 LEU A 53 10.243 0.093 -5.610 1.00 0.41 H ATOM 654 HG LEU A 53 12.102 1.610 -3.779 1.00 1.41 H ATOM 655 HD11 LEU A 53 9.099 1.361 -3.838 1.00 1.76 H ATOM 656 HD12 LEU A 53 10.039 2.193 -2.601 1.00 1.87 H ATOM 657 HD13 LEU A 53 10.032 2.797 -4.258 1.00 1.81 H ATOM 658 HD21 LEU A 53 12.108 -0.781 -3.282 1.00 1.69 H ATOM 659 HD22 LEU A 53 11.254 0.122 -2.031 1.00 1.74 H ATOM 660 HD23 LEU A 53 10.345 -0.783 -3.239 1.00 1.73 H ATOM 661 N LYS A 54 12.305 -0.099 -8.348 1.00 0.00 N ATOM 662 CA LYS A 54 12.043 -0.558 -9.708 1.00 0.00 C ATOM 663 C LYS A 54 12.908 -1.804 -10.005 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 12.328 0.558 -10.714 1.00 0.04 C ATOM 666 CG LYS A 54 11.797 0.266 -12.106 1.00 1.04 C ATOM 667 CD LYS A 54 12.004 1.448 -13.037 1.00 1.51 C ATOM 668 CE LYS A 54 11.393 1.200 -14.406 1.00 1.91 C ATOM 669 NZ LYS A 54 11.964 -0.003 -15.064 1.00 2.46 N1+ ATOM 670 H LYS A 54 12.729 0.774 -8.209 1.00 0.00 H ATOM 671 HA LYS A 54 11.000 -0.836 -9.769 1.00 0.02 H ATOM 672 HB2 LYS A 54 11.872 1.470 -10.361 1.00 0.80 H ATOM 673 HB3 LYS A 54 13.396 0.701 -10.781 1.00 0.80 H ATOM 674 HG2 LYS A 54 12.319 -0.591 -12.508 1.00 1.73 H ATOM 675 HG3 LYS A 54 10.741 0.049 -12.041 1.00 1.74 H ATOM 676 HD2 LYS A 54 11.543 2.322 -12.603 1.00 2.01 H ATOM 677 HD3 LYS A 54 13.065 1.619 -13.154 1.00 2.09 H ATOM 678 HE2 LYS A 54 10.328 1.063 -14.289 1.00 2.31 H ATOM 679 HE3 LYS A 54 11.577 2.063 -15.030 1.00 2.38 H ATOM 680 HZ1 LYS A 54 13.006 0.012 -15.006 1.00 2.93 H ATOM 681 HZ2 LYS A 54 11.617 -0.869 -14.599 1.00 2.79 H ATOM 682 HZ3 LYS A 54 11.680 -0.030 -16.069 1.00 2.83 H ATOM 683 N LYS A 55 14.181 -1.789 -9.602 1.00 0.00 N ATOM 684 CA LYS A 55 15.079 -2.937 -9.845 1.00 0.00 C ATOM 685 C LYS A 55 14.634 -4.162 -9.048 1.00 0.00 C ATOM 686 O LYS A 55 14.997 -5.291 -9.375 1.00 0.00 O ATOM 687 CB LYS A 55 16.523 -2.597 -9.454 1.00 0.04 C ATOM 688 CG LYS A 55 17.084 -1.336 -10.093 1.00 1.16 C ATOM 689 CD LYS A 55 17.004 -1.367 -11.610 1.00 1.85 C ATOM 690 CE LYS A 55 17.900 -0.307 -12.236 1.00 2.58 C ATOM 691 NZ LYS A 55 17.645 1.051 -11.682 1.00 3.20 N1+ ATOM 692 H LYS A 55 14.529 -0.999 -9.138 1.00 0.00 H ATOM 693 HA LYS A 55 15.044 -3.172 -10.899 1.00 0.02 H ATOM 694 HB2 LYS A 55 16.567 -2.474 -8.382 1.00 0.89 H ATOM 695 HB3 LYS A 55 17.158 -3.425 -9.733 1.00 0.90 H ATOM 696 HG2 LYS A 55 16.523 -0.486 -9.735 1.00 1.81 H ATOM 697 HG3 LYS A 55 18.119 -1.230 -9.799 1.00 1.86 H ATOM 698 HD2 LYS A 55 17.316 -2.340 -11.957 1.00 2.40 H ATOM 699 HD3 LYS A 55 15.982 -1.185 -11.910 1.00 2.28 H ATOM 700 HE2 LYS A 55 18.930 -0.571 -12.049 1.00 2.95 H ATOM 701 HE3 LYS A 55 17.723 -0.291 -13.301 1.00 3.04 H ATOM 702 HZ1 LYS A 55 17.755 1.047 -10.644 1.00 3.53 H ATOM 703 HZ2 LYS A 55 18.328 1.733 -12.082 1.00 3.58 H ATOM 704 HZ3 LYS A 55 16.679 1.367 -11.920 1.00 3.54 H ATOM 705 N LYS A 56 13.843 -3.916 -8.004 1.00 0.00 N ATOM 706 CA LYS A 56 13.306 -4.972 -7.145 1.00 0.00 C ATOM 707 C LYS A 56 12.034 -5.573 -7.799 1.00 0.00 C ATOM 708 O LYS A 56 11.497 -6.573 -7.309 1.00 0.00 O ATOM 709 CB LYS A 56 12.973 -4.397 -5.757 1.00 0.05 C ATOM 710 CG LYS A 56 12.256 -5.364 -4.819 1.00 0.97 C ATOM 711 CD LYS A 56 13.093 -6.597 -4.521 1.00 1.62 C ATOM 712 CE LYS A 56 12.315 -7.613 -3.696 1.00 2.03 C ATOM 713 NZ LYS A 56 11.228 -8.259 -4.478 1.00 2.62 N1+ ATOM 714 H LYS A 56 13.591 -2.989 -7.815 1.00 0.00 H ATOM 715 HA LYS A 56 14.055 -5.744 -7.048 1.00 0.02 H ATOM 716 HB2 LYS A 56 13.892 -4.091 -5.282 1.00 0.76 H ATOM 717 HB3 LYS A 56 12.345 -3.527 -5.888 1.00 0.76 H ATOM 718 HG2 LYS A 56 12.044 -4.856 -3.890 1.00 1.70 H ATOM 719 HG3 LYS A 56 11.329 -5.673 -5.279 1.00 1.64 H ATOM 720 HD2 LYS A 56 13.386 -7.055 -5.453 1.00 2.18 H ATOM 721 HD3 LYS A 56 13.973 -6.298 -3.971 1.00 2.23 H ATOM 722 HE2 LYS A 56 12.998 -8.375 -3.352 1.00 2.43 H ATOM 723 HE3 LYS A 56 11.883 -7.108 -2.844 1.00 2.40 H ATOM 724 HZ1 LYS A 56 10.594 -7.542 -4.889 1.00 3.03 H ATOM 725 HZ2 LYS A 56 11.632 -8.832 -5.252 1.00 2.94 H ATOM 726 HZ3 LYS A 56 10.666 -8.884 -3.859 1.00 3.04 H ATOM 727 N GLY A 57 11.571 -4.954 -8.884 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 -4.714 -9.351 1.00 0.00 C ATOM 730 O GLY A 57 8.049 -5.153 -9.862 1.00 0.00 O ATOM 731 H GLY A 57 12.042 -4.166 -9.224 1.00 0.00 H ATOM 732 HA2 GLY A 57 10.591 -5.424 -10.630 1.00 0.00 H ATOM 733 HA3 GLY A 57 10.246 -6.477 -9.285 1.00 0.00 H ATOM 734 N LEU A 58 9.089 -3.615 -8.603 1.00 0.00 N ATOM 735 CA LEU A 58 7.857 -2.873 -8.375 1.00 0.00 C ATOM 736 C LEU A 58 7.637 -1.921 -9.577 1.00 0.00 C ATOM 737 O LEU A 58 8.591 -1.470 -10.213 1.00 0.00 O ATOM 738 CB LEU A 58 7.912 -2.068 -7.070 1.00 0.02 C ATOM 739 CG LEU A 58 7.802 -2.883 -5.776 1.00 0.31 C ATOM 740 CD1 LEU A 58 9.079 -3.667 -5.507 1.00 1.28 C ATOM 741 CD2 LEU A 58 7.481 -1.970 -4.605 1.00 1.24 C ATOM 742 H LEU A 58 9.931 -3.295 -8.218 1.00 0.00 H ATOM 743 HA LEU A 58 7.041 -3.581 -8.332 1.00 0.01 H ATOM 744 HB2 LEU A 58 8.846 -1.526 -7.049 1.00 0.23 H ATOM 745 HB3 LEU A 58 7.103 -1.351 -7.083 1.00 0.25 H ATOM 746 HG LEU A 58 6.994 -3.592 -5.876 1.00 1.12 H ATOM 747 HD11 LEU A 58 9.909 -2.982 -5.411 1.00 1.84 H ATOM 748 HD12 LEU A 58 8.968 -4.230 -4.592 1.00 1.87 H ATOM 749 HD13 LEU A 58 9.264 -4.345 -6.327 1.00 1.90 H ATOM 750 HD21 LEU A 58 6.549 -1.458 -4.793 1.00 1.82 H ATOM 751 HD22 LEU A 58 7.393 -2.558 -3.703 1.00 1.87 H ATOM 752 HD23 LEU A 58 8.272 -1.244 -4.486 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 6.072 -0.728 -10.984 1.00 0.00 C ATOM 755 C THR A 59 5.927 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 4.775 -1.135 -11.710 1.00 0.03 C ATOM 758 OG1 THR A 59 3.718 -1.339 -10.761 1.00 1.09 O ATOM 759 CG2 THR A 59 4.990 -2.402 -12.518 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 6.899 -0.735 -11.682 1.00 0.01 H ATOM 762 HB THR A 59 4.493 -0.340 -12.385 1.00 0.84 H ATOM 763 HG1 THR A 59 3.954 -2.081 -10.175 1.00 1.23 H ATOM 764 HG21 THR A 59 5.289 -3.203 -11.858 1.00 1.67 H ATOM 765 HG22 THR A 59 4.071 -2.672 -13.017 1.00 1.79 H ATOM 766 HG23 THR A 59 5.762 -2.234 -13.253 1.00 1.70 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 -10.693 1.00 0.00 C ATOM 769 C ASP A 60 4.451 3.248 -9.916 1.00 0.00 C ATOM 770 O ASP A 60 4.387 3.977 -8.937 1.00 0.00 O ATOM 771 CB ASP A 60 5.807 4.079 -11.865 1.00 0.03 C ATOM 772 CG ASP A 60 5.372 5.475 -11.468 1.00 1.35 C ATOM 773 OD1 ASP A 60 6.219 6.252 -10.987 1.00 1.89 O ATOM 774 OD2 ASP A 60 4.181 5.802 -11.643 1.00 2.18 O1- ATOM 775 H ASP A 60 6.001 1.566 -12.156 1.00 0.00 H ATOM 776 HA ASP A 60 6.602 3.303 -10.029 1.00 0.01 H ATOM 777 HB2 ASP A 60 6.813 4.134 -12.253 1.00 1.00 H ATOM 778 HB3 ASP A 60 5.146 3.723 -12.642 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 2.075 -8.284 1.00 0.00 C ATOM 782 O GLU A 61 1.664 2.669 -7.350 1.00 0.00 O ATOM 783 CB GLU A 61 1.100 1.721 -10.515 1.00 0.03 C ATOM 784 CG GLU A 61 -0.321 1.786 -9.985 1.00 1.28 C ATOM 785 CD GLU A 61 -1.248 0.841 -10.714 1.00 1.80 C ATOM 786 OE1 GLU A 61 -1.693 1.181 -11.830 1.00 2.34 O ATOM 787 OE2 GLU A 61 -1.549 -0.242 -10.167 1.00 2.33 O1- ATOM 788 H GLU A 61 3.536 1.981 -11.162 1.00 0.00 H ATOM 789 HA GLU A 61 1.747 3.610 -9.724 1.00 0.01 H ATOM 790 HB2 GLU A 61 1.092 2.045 -11.544 1.00 0.96 H ATOM 791 HB3 GLU A 61 1.429 0.693 -10.473 1.00 0.96 H ATOM 792 HG2 GLU A 61 -0.314 1.525 -8.938 1.00 1.97 H ATOM 793 HG3 GLU A 61 -0.691 2.795 -10.104 1.00 1.97 H ATOM 794 N GLU A 62 2.931 0.969 -8.116 1.00 0.00 N ATOM 795 CA GLU A 62 3.146 0.351 -6.797 1.00 0.00 C ATOM 796 C GLU A 62 4.058 1.211 -5.913 1.00 0.00 C ATOM 797 O GLU A 62 3.850 1.314 -4.702 1.00 0.00 O ATOM 798 CB GLU A 62 3.735 -1.049 -6.966 1.00 0.04 C ATOM 799 CG GLU A 62 2.801 -2.005 -7.690 1.00 0.47 C ATOM 800 CD GLU A 62 3.496 -3.272 -8.142 1.00 1.11 C ATOM 801 OE1 GLU A 62 4.367 -3.183 -9.031 1.00 1.65 O ATOM 802 OE2 GLU A 62 3.154 -4.359 -7.642 1.00 1.99 O1- ATOM 803 H GLU A 62 3.338 0.550 -8.903 1.00 0.00 H ATOM 804 HA GLU A 62 2.183 0.266 -6.316 1.00 0.02 H ATOM 805 HB2 GLU A 62 4.653 -0.977 -7.530 1.00 0.34 H ATOM 806 HB3 GLU A 62 3.950 -1.459 -5.991 1.00 0.34 H ATOM 807 HG2 GLU A 62 1.996 -2.274 -7.024 1.00 1.26 H ATOM 808 HG3 GLU A 62 2.396 -1.505 -8.558 1.00 1.27 H ATOM 809 N ILE A 63 5.067 1.826 -6.527 1.00 0.00 N ATOM 810 CA ILE A 63 6.011 2.688 -5.806 1.00 0.00 C ATOM 811 C ILE A 63 5.260 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 3.124 -6.708 1.00 0.02 C ATOM 814 CG1 ILE A 63 7.971 1.898 -7.189 1.00 0.04 C ATOM 815 CG2 ILE A 63 8.109 4.086 -5.965 1.00 0.06 C ATOM 816 CD1 ILE A 63 9.064 2.224 -8.188 1.00 0.07 C ATOM 817 H ILE A 63 5.178 1.708 -7.493 1.00 0.00 H ATOM 818 HA ILE A 63 6.401 2.135 -4.963 1.00 0.01 H ATOM 819 HB ILE A 63 6.784 3.642 -7.565 1.00 0.04 H ATOM 820 HG12 ILE A 63 8.434 1.418 -6.340 1.00 0.07 H ATOM 821 HG13 ILE A 63 7.287 1.205 -7.659 1.00 0.06 H ATOM 822 HG21 ILE A 63 8.505 3.599 -5.086 1.00 1.02 H ATOM 823 HG22 ILE A 63 8.923 4.379 -6.613 1.00 1.02 H ATOM 824 HG23 ILE A 63 7.551 4.962 -5.669 1.00 1.02 H ATOM 825 HD11 ILE A 63 9.779 2.892 -7.733 1.00 1.02 H ATOM 826 HD12 ILE A 63 9.562 1.313 -8.487 1.00 1.03 H ATOM 827 HD13 ILE A 63 8.629 2.699 -9.055 1.00 1.01 H ATOM 828 N ASP A 64 4.399 4.506 -6.143 1.00 0.00 N ATOM 829 CA ASP A 64 3.612 5.694 -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 2.706 6.090 -3.587 1.00 0.00 O ATOM 832 CB ASP A 64 2.706 6.104 -6.939 1.00 0.02 C ATOM 833 CG ASP A 64 1.698 7.163 -6.549 1.00 0.76 C ATOM 834 OD1 ASP A 64 2.041 8.363 -6.605 1.00 1.09 O1- ATOM 835 OD2 ASP A 64 0.566 6.799 -6.175 1.00 1.32 O ATOM 836 H ASP A 64 4.282 4.117 -7.032 1.00 0.00 H ATOM 837 HA ASP A 64 4.289 6.500 -5.528 1.00 0.01 H ATOM 838 HB2 ASP A 64 3.315 6.495 -7.740 1.00 0.54 H ATOM 839 HB3 ASP A 64 2.170 5.235 -7.292 1.00 0.57 H ATOM 840 N MET A 65 2.124 4.149 -4.579 1.00 0.00 N ATOM 841 CA MET A 65 1.288 3.664 -3.459 1.00 0.00 C ATOM 842 C MET A 65 2.143 3.503 -2.178 1.00 0.00 C ATOM 843 O MET A 65 1.686 3.819 -1.075 1.00 0.00 O ATOM 844 CB MET A 65 0.600 2.345 -3.820 1.00 0.07 C ATOM 845 CG MET A 65 -0.410 1.891 -2.777 1.00 1.15 C ATOM 846 SD MET A 65 -1.383 0.474 -3.316 1.00 1.82 S ATOM 847 CE MET A 65 -2.404 0.198 -1.869 1.00 2.28 C ATOM 848 H MET A 65 2.222 3.585 -5.372 1.00 0.00 H ATOM 849 HA MET A 65 0.532 4.414 -3.271 1.00 0.03 H ATOM 850 HB2 MET A 65 0.087 2.463 -4.761 1.00 0.91 H ATOM 851 HB3 MET A 65 1.352 1.576 -3.921 1.00 0.91 H ATOM 852 HG2 MET A 65 0.121 1.621 -1.876 1.00 1.81 H ATOM 853 HG3 MET A 65 -1.079 2.711 -2.564 1.00 1.92 H ATOM 854 HE1 MET A 65 -2.999 1.078 -1.675 1.00 2.69 H ATOM 855 HE2 MET A 65 -3.055 -0.647 -2.043 1.00 2.74 H ATOM 856 HE3 MET A 65 -1.773 -0.006 -1.016 1.00 2.60 H ATOM 857 N ALA A 66 3.376 3.012 -2.330 1.00 0.00 N ATOM 858 CA ALA A 66 4.289 2.827 -1.191 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 4.392 0.649 1.00 0.00 O ATOM 861 CB ALA A 66 5.574 2.145 -1.632 1.00 0.00 C ATOM 862 H ALA A 66 3.689 2.783 -3.229 1.00 0.00 H ATOM 863 HA ALA A 66 3.795 2.206 -0.456 1.00 0.00 H ATOM 864 HB1 ALA A 66 6.068 2.753 -2.374 1.00 1.01 H ATOM 865 HB2 ALA A 66 6.225 2.019 -0.779 1.00 1.01 H ATOM 866 HB3 ALA A 66 5.342 1.179 -2.053 1.00 1.01 H ATOM 867 N PHE A 67 4.921 5.202 -1.418 1.00 0.00 N ATOM 868 CA PHE A 67 5.208 6.548 -0.923 1.00 0.00 C ATOM 869 C PHE A 67 3.954 7.122 -0.242 1.00 0.00 C ATOM 870 O PHE A 67 4.049 7.754 0.809 1.00 0.00 O ATOM 871 CB PHE A 67 5.655 7.450 -2.078 1.00 0.02 C ATOM 872 CG PHE A 67 6.127 8.809 -1.643 1.00 0.69 C ATOM 873 CD1 PHE A 67 7.385 8.977 -1.088 1.00 0.79 C ATOM 874 CD2 PHE A 67 5.308 9.917 -1.789 1.00 1.48 C ATOM 875 CE1 PHE A 67 7.818 10.226 -0.687 1.00 1.35 C ATOM 876 CE2 PHE A 67 5.736 11.168 -1.389 1.00 2.10 C ATOM 877 CZ PHE A 67 7.005 11.321 -0.842 1.00 1.97 C ATOM 878 H PHE A 67 4.974 5.019 -2.381 1.00 0.00 H ATOM 879 HA PHE A 67 6.003 6.476 -0.196 1.00 0.01 H ATOM 880 HB2 PHE A 67 6.468 6.971 -2.604 1.00 0.52 H ATOM 881 HB3 PHE A 67 4.826 7.587 -2.757 1.00 0.53 H ATOM 882 HD1 PHE A 67 8.032 8.120 -0.971 1.00 0.85 H ATOM 883 HD2 PHE A 67 4.326 9.797 -2.221 1.00 1.68 H ATOM 884 HE1 PHE A 67 8.801 10.344 -0.255 1.00 1.48 H ATOM 885 HE2 PHE A 67 5.089 12.025 -1.508 1.00 2.73 H ATOM 886 HZ PHE A 67 7.347 12.297 -0.530 1.00 2.47 H ATOM 887 N GLN A 68 2.788 6.894 -0.843 1.00 0.00 N ATOM 888 CA GLN A 68 1.538 7.392 -0.286 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 1.983 1.00 0.00 O ATOM 891 CB GLN A 68 0.401 6.968 -1.219 1.00 0.03 C ATOM 892 CG GLN A 68 -0.993 7.286 -0.714 1.00 1.08 C ATOM 893 CD GLN A 68 -2.065 6.814 -1.675 1.00 1.66 C ATOM 894 OE1 GLN A 68 -1.859 6.778 -2.890 1.00 2.38 O ATOM 895 NE2 GLN A 68 -3.205 6.419 -1.141 1.00 2.32 N ATOM 896 H GLN A 68 2.771 6.384 -1.678 1.00 0.00 H ATOM 897 HA GLN A 68 1.587 8.469 -0.266 1.00 0.01 H ATOM 898 HB2 GLN A 68 0.532 7.465 -2.168 1.00 0.82 H ATOM 899 HB3 GLN A 68 0.465 5.901 -1.375 1.00 0.83 H ATOM 900 HG2 GLN A 68 -1.140 6.799 0.239 1.00 1.81 H ATOM 901 HG3 GLN A 68 -1.084 8.356 -0.590 1.00 1.75 H ATOM 902 HE21 GLN A 68 -3.295 6.449 -0.155 1.00 2.52 H ATOM 903 HE22 GLN A 68 -3.923 6.121 -1.742 1.00 2.98 H ATOM 904 N GLN A 69 1.623 5.621 1.369 1.00 0.00 N ATOM 905 CA GLN A 69 1.409 5.012 2.684 1.00 0.00 C ATOM 906 C GLN A 69 2.560 5.101 3.662 1.00 0.00 C ATOM 907 O GLN A 69 2.438 4.636 4.798 1.00 0.00 O ATOM 908 CB GLN A 69 1.044 3.538 2.505 1.00 0.03 C ATOM 909 CG GLN A 69 -0.167 3.302 1.620 1.00 1.01 C ATOM 910 CD GLN A 69 -0.533 1.835 1.529 1.00 1.49 C ATOM 911 OE1 GLN A 69 -1.335 1.334 2.317 1.00 2.11 O ATOM 912 NE2 GLN A 69 0.054 1.134 0.573 1.00 2.22 N ATOM 913 H GLN A 69 2.016 5.084 0.651 1.00 0.00 H ATOM 914 HA GLN A 69 0.559 5.505 3.125 1.00 0.01 H ATOM 915 HB2 GLN A 69 1.887 3.023 2.068 1.00 0.77 H ATOM 916 HB3 GLN A 69 0.841 3.111 3.476 1.00 0.79 H ATOM 917 HG2 GLN A 69 -1.009 3.843 2.027 1.00 1.73 H ATOM 918 HG3 GLN A 69 0.050 3.667 0.627 1.00 1.67 H ATOM 919 HE21 GLN A 69 0.682 1.596 -0.021 1.00 2.53 H ATOM 920 HE22 GLN A 69 -0.157 0.172 0.505 1.00 2.80 H ATOM 921 N SER A 70 3.667 5.694 3.225 1.00 0.00 N ATOM 922 CA SER A 70 4.875 5.841 4.045 1.00 0.00 C ATOM 923 C SER A 70 4.821 6.861 5.153 1.00 0.00 C ATOM 924 O SER A 70 5.677 6.867 6.047 1.00 0.00 O ATOM 925 CB SER A 70 6.086 6.127 3.151 1.00 0.02 C ATOM 926 OG SER A 70 5.973 7.384 2.505 1.00 1.27 O ATOM 927 H SER A 70 3.683 6.032 2.305 1.00 0.00 H ATOM 928 HA SER A 70 5.044 4.881 4.506 1.00 0.01 H ATOM 929 HB2 SER A 70 6.982 6.128 3.754 1.00 1.00 H ATOM 930 HB3 SER A 70 6.162 5.356 2.398 1.00 1.00 H ATOM 931 HG SER A 70 5.261 7.349 1.851 1.00 1.94 H ATOM 932 N GLY A 71 3.865 7.777 5.074 1.00 0.04 N ATOM 933 CA GLY A 71 3.786 8.833 6.064 1.00 0.08 C ATOM 934 C GLY A 71 2.370 9.296 6.304 1.00 0.99 C ATOM 935 O GLY A 71 2.140 10.440 6.697 1.00 1.78 O ATOM 936 H GLY A 71 3.226 7.752 4.331 1.00 0.07 H ATOM 937 HA2 GLY A 71 4.196 8.471 6.994 1.00 0.70 H ATOM 938 HA3 GLY A 71 4.375 9.673 5.726 1.00 0.72 H