USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 538 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 ASN : amide:sc= 1.27 X(o=-0.77,f=-1.2) USER MOD Set 1.2: A 62 GLN : amide:sc= -2.04 X(o=-0.77,f=-0.67) USER MOD Set 2.1: A 20 SER OG : rot 107:sc= 1.72 USER MOD Set 2.2: A 46 CYS SG : rot 67:sc= -0.944 USER MOD Set 3.1: A 31 GLN : amide:sc= 0.459 K(o=1.3,f=-0.97) USER MOD Set 3.2: A 35 SER OG : rot -125:sc= 0.801 USER MOD Single : A 15 LYS NZ :NH3+ -174:sc= -0.364 (180deg=-0.427) USER MOD Single : A 21 GLN : amide:sc= -0.63 K(o=-0.63,f=-0.1) USER MOD Single : A 22 GLN : amide:sc= -0.0175 K(o=-0.018,f=-1.2) USER MOD Single : A 26 GLN : amide:sc= -0.042 K(o=-0.042,f=-0.89) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -114:sc= -0.485 (180deg=-1.86) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 159:sc= 1.14 (180deg=0.652) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 96:sc= 0.507 USER MOD Single : A 53 GLN : amide:sc= -1.23 K(o=-1.2,f=-6.2!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0662 USER MOD Single : A 60 GLN : amide:sc=-0.00153 X(o=-0.0015,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.76) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -1.04 K(o=-1,f=-1.6) USER MOD Single : A 80 ASN : amide:sc= -0.0111 K(o=-0.011,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 270 N LYS A 15 -3.742 -1.977 6.795 1.00 0.00 N ATOM 271 CA LYS A 15 -2.739 -2.838 7.372 1.00 0.00 C ATOM 272 C LYS A 15 -3.133 -4.265 6.999 1.00 0.00 C ATOM 273 O LYS A 15 -4.325 -4.576 7.034 1.00 0.00 O ATOM 274 CB LYS A 15 -2.714 -2.612 8.884 1.00 0.00 C ATOM 275 CG LYS A 15 -4.102 -2.528 9.554 1.00 0.00 C ATOM 276 CD LYS A 15 -3.980 -1.861 10.933 1.00 0.00 C ATOM 277 CE LYS A 15 -4.163 -0.332 10.921 1.00 0.00 C ATOM 278 NZ LYS A 15 -3.180 0.395 10.089 1.00 0.00 N ATOM 0 HA LYS A 15 -1.734 -2.634 7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.152 -3.422 9.348 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.172 -1.689 9.089 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.785 -1.958 8.924 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.525 -3.527 9.660 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.722 -2.298 11.601 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.000 -2.094 11.350 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.166 -0.101 10.562 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.098 0.037 11.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.308 1.419 10.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.217 0.129 10.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.323 0.149 9.089 1.00 0.00 H new ATOM 292 N TRP A 16 -2.175 -5.103 6.611 1.00 0.00 N ATOM 293 CA TRP A 16 -2.424 -6.512 6.350 1.00 0.00 C ATOM 294 C TRP A 16 -2.436 -7.260 7.686 1.00 0.00 C ATOM 295 O TRP A 16 -1.761 -6.854 8.632 1.00 0.00 O ATOM 296 CB TRP A 16 -1.336 -7.068 5.426 1.00 0.00 C ATOM 297 CG TRP A 16 -1.271 -6.485 4.042 1.00 0.00 C ATOM 298 CD1 TRP A 16 -0.356 -5.595 3.589 1.00 0.00 C ATOM 299 CD2 TRP A 16 -1.996 -6.927 2.857 1.00 0.00 C ATOM 300 NE1 TRP A 16 -0.503 -5.419 2.230 1.00 0.00 N ATOM 301 CE2 TRP A 16 -1.452 -6.268 1.717 1.00 0.00 C ATOM 302 CE3 TRP A 16 -2.969 -7.914 2.613 1.00 0.00 C ATOM 303 CZ2 TRP A 16 -1.854 -6.567 0.412 1.00 0.00 C ATOM 304 CZ3 TRP A 16 -3.252 -8.336 1.302 1.00 0.00 C ATOM 305 CH2 TRP A 16 -2.731 -7.638 0.201 1.00 0.00 C ATOM 0 H TRP A 16 -1.205 -4.821 6.470 1.00 0.00 H new ATOM 0 HA TRP A 16 -3.387 -6.641 5.855 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -0.369 -6.916 5.906 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -1.481 -8.145 5.337 1.00 0.00 H new ATOM 0 HD1 TRP A 16 0.380 -5.097 4.202 1.00 0.00 H new ATOM 0 HE1 TRP A 16 0.025 -4.745 1.677 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -3.504 -8.352 3.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -1.494 -5.981 -0.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -3.875 -9.204 1.141 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -3.005 -7.926 -0.803 1.00 0.00 H new ATOM 316 N GLY A 17 -3.222 -8.323 7.794 1.00 0.00 N ATOM 317 CA GLY A 17 -3.302 -9.189 8.961 1.00 0.00 C ATOM 318 C GLY A 17 -2.487 -10.461 8.729 1.00 0.00 C ATOM 319 O GLY A 17 -2.062 -10.717 7.602 1.00 0.00 O ATOM 0 H GLY A 17 -3.845 -8.616 7.042 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.928 -8.663 9.840 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.342 -9.446 9.162 1.00 0.00 H new ATOM 323 N PRO A 18 -2.270 -11.269 9.774 1.00 0.00 N ATOM 324 CA PRO A 18 -1.419 -12.451 9.724 1.00 0.00 C ATOM 325 C PRO A 18 -1.893 -13.503 8.720 1.00 0.00 C ATOM 326 O PRO A 18 -1.086 -14.171 8.076 1.00 0.00 O ATOM 327 CB PRO A 18 -1.367 -12.992 11.156 1.00 0.00 C ATOM 328 CG PRO A 18 -2.590 -12.380 11.840 1.00 0.00 C ATOM 329 CD PRO A 18 -2.779 -11.051 11.117 1.00 0.00 C ATOM 0 HA PRO A 18 -0.426 -12.185 9.363 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -1.407 -14.081 11.171 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -0.444 -12.700 11.657 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -3.467 -13.019 11.739 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -2.422 -12.235 12.907 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.829 -10.760 11.097 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -2.236 -10.250 11.618 1.00 0.00 H new ATOM 337 N ALA A 19 -3.207 -13.636 8.569 1.00 0.00 N ATOM 338 CA ALA A 19 -3.789 -14.666 7.720 1.00 0.00 C ATOM 339 C ALA A 19 -3.488 -14.290 6.278 1.00 0.00 C ATOM 340 O ALA A 19 -2.853 -15.030 5.540 1.00 0.00 O ATOM 341 CB ALA A 19 -5.291 -14.784 7.984 1.00 0.00 C ATOM 0 H ALA A 19 -3.893 -13.037 9.029 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.360 -15.645 7.935 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.713 -15.558 7.343 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.457 -15.048 9.028 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.774 -13.831 7.769 1.00 0.00 H new ATOM 347 N SER A 20 -3.868 -13.072 5.905 1.00 0.00 N ATOM 348 CA SER A 20 -3.438 -12.475 4.657 1.00 0.00 C ATOM 349 C SER A 20 -1.917 -12.591 4.462 1.00 0.00 C ATOM 350 O SER A 20 -1.453 -12.903 3.367 1.00 0.00 O ATOM 351 CB SER A 20 -3.895 -11.020 4.642 1.00 0.00 C ATOM 352 OG SER A 20 -5.253 -10.930 4.242 1.00 0.00 O ATOM 0 H SER A 20 -4.481 -12.477 6.462 1.00 0.00 H new ATOM 0 HA SER A 20 -3.890 -13.012 3.823 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.772 -10.584 5.633 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.270 -10.443 3.960 1.00 0.00 H new ATOM 0 HG SER A 20 -5.809 -10.709 5.018 1.00 0.00 H new ATOM 358 N GLN A 21 -1.120 -12.336 5.504 1.00 0.00 N ATOM 359 CA GLN A 21 0.330 -12.466 5.422 1.00 0.00 C ATOM 360 C GLN A 21 0.730 -13.840 4.905 1.00 0.00 C ATOM 361 O GLN A 21 1.615 -13.952 4.061 1.00 0.00 O ATOM 362 CB GLN A 21 0.994 -12.229 6.779 1.00 0.00 C ATOM 363 CG GLN A 21 2.390 -11.633 6.573 1.00 0.00 C ATOM 364 CD GLN A 21 2.346 -10.141 6.245 1.00 0.00 C ATOM 365 OE1 GLN A 21 3.034 -9.650 5.351 1.00 0.00 O ATOM 366 NE2 GLN A 21 1.512 -9.387 6.949 1.00 0.00 N ATOM 0 H GLN A 21 -1.461 -12.037 6.417 1.00 0.00 H new ATOM 0 HA GLN A 21 0.674 -11.704 4.723 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.385 -11.554 7.380 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.066 -13.168 7.328 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.984 -11.786 7.474 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.893 -12.165 5.765 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.947 -9.805 7.688 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.436 -8.389 6.751 1.00 0.00 H new ATOM 375 N GLN A 22 0.065 -14.870 5.414 1.00 0.00 N ATOM 376 CA GLN A 22 0.322 -16.254 5.036 1.00 0.00 C ATOM 377 C GLN A 22 0.179 -16.476 3.523 1.00 0.00 C ATOM 378 O GLN A 22 0.639 -17.490 3.017 1.00 0.00 O ATOM 379 CB GLN A 22 -0.569 -17.210 5.856 1.00 0.00 C ATOM 380 CG GLN A 22 -1.757 -17.796 5.066 1.00 0.00 C ATOM 381 CD GLN A 22 -2.865 -18.361 5.950 1.00 0.00 C ATOM 382 OE1 GLN A 22 -2.864 -18.203 7.166 1.00 0.00 O ATOM 383 NE2 GLN A 22 -3.840 -19.027 5.343 1.00 0.00 N ATOM 0 H GLN A 22 -0.675 -14.767 6.108 1.00 0.00 H new ATOM 0 HA GLN A 22 1.361 -16.481 5.274 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.044 -18.030 6.230 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -0.953 -16.676 6.725 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.176 -17.018 4.427 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -1.391 -18.585 4.409 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -3.822 -19.147 4.330 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -4.607 -19.418 5.889 1.00 0.00 H new ATOM 392 N ILE A 23 -0.454 -15.552 2.803 1.00 0.00 N ATOM 393 CA ILE A 23 -0.642 -15.606 1.363 1.00 0.00 C ATOM 394 C ILE A 23 0.282 -14.594 0.684 1.00 0.00 C ATOM 395 O ILE A 23 0.914 -14.903 -0.322 1.00 0.00 O ATOM 396 CB ILE A 23 -2.144 -15.429 1.103 1.00 0.00 C ATOM 397 CG1 ILE A 23 -2.784 -16.812 1.306 1.00 0.00 C ATOM 398 CG2 ILE A 23 -2.489 -14.862 -0.275 1.00 0.00 C ATOM 399 CD1 ILE A 23 -4.172 -16.692 1.909 1.00 0.00 C ATOM 0 H ILE A 23 -0.863 -14.718 3.225 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.355 -16.560 0.921 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.534 -14.684 1.796 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.844 -17.332 0.350 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -2.152 -17.416 1.958 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.571 -14.771 -0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.031 -13.880 -0.389 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.111 -15.531 -1.049 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.599 -17.686 2.041 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.107 -16.194 2.877 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.809 -16.109 1.243 1.00 0.00 H new ATOM 411 N LEU A 24 0.440 -13.400 1.254 1.00 0.00 N ATOM 412 CA LEU A 24 1.428 -12.442 0.773 1.00 0.00 C ATOM 413 C LEU A 24 2.796 -13.108 0.643 1.00 0.00 C ATOM 414 O LEU A 24 3.440 -13.068 -0.403 1.00 0.00 O ATOM 415 CB LEU A 24 1.563 -11.299 1.777 1.00 0.00 C ATOM 416 CG LEU A 24 0.385 -10.330 1.772 1.00 0.00 C ATOM 417 CD1 LEU A 24 0.736 -9.200 2.733 1.00 0.00 C ATOM 418 CD2 LEU A 24 0.149 -9.772 0.370 1.00 0.00 C ATOM 0 H LEU A 24 -0.106 -13.075 2.052 1.00 0.00 H new ATOM 0 HA LEU A 24 1.098 -12.071 -0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.672 -11.718 2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.477 -10.746 1.562 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.529 -10.838 2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.082 -8.480 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.896 -9.608 3.731 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.645 -8.703 2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.696 -9.083 0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.041 -9.243 0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.067 -10.591 -0.316 1.00 0.00 H new ATOM 430 N PHE A 25 3.251 -13.693 1.749 1.00 0.00 N ATOM 431 CA PHE A 25 4.524 -14.383 1.790 1.00 0.00 C ATOM 432 C PHE A 25 4.527 -15.495 0.746 1.00 0.00 C ATOM 433 O PHE A 25 5.546 -15.701 0.096 1.00 0.00 O ATOM 434 CB PHE A 25 4.834 -14.882 3.212 1.00 0.00 C ATOM 435 CG PHE A 25 4.879 -16.374 3.395 1.00 0.00 C ATOM 436 CD1 PHE A 25 3.670 -17.063 3.528 1.00 0.00 C ATOM 437 CD2 PHE A 25 6.085 -17.081 3.277 1.00 0.00 C ATOM 438 CE1 PHE A 25 3.645 -18.464 3.505 1.00 0.00 C ATOM 439 CE2 PHE A 25 6.066 -18.485 3.255 1.00 0.00 C ATOM 440 CZ PHE A 25 4.847 -19.178 3.367 1.00 0.00 C ATOM 0 H PHE A 25 2.745 -13.698 2.635 1.00 0.00 H new ATOM 0 HA PHE A 25 5.330 -13.694 1.538 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.795 -14.470 3.518 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.083 -14.476 3.889 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.749 -16.512 3.649 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.022 -16.549 3.204 1.00 0.00 H new ATOM 0 HE1 PHE A 25 2.707 -18.992 3.593 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.990 -19.034 3.152 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.835 -20.258 3.347 1.00 0.00 H new ATOM 450 N GLN A 26 3.395 -16.192 0.569 1.00 0.00 N ATOM 451 CA GLN A 26 3.410 -17.403 -0.228 1.00 0.00 C ATOM 452 C GLN A 26 3.757 -16.995 -1.667 1.00 0.00 C ATOM 453 O GLN A 26 4.573 -17.622 -2.338 1.00 0.00 O ATOM 454 CB GLN A 26 2.105 -18.226 -0.092 1.00 0.00 C ATOM 455 CG GLN A 26 1.032 -18.039 -1.169 1.00 0.00 C ATOM 456 CD GLN A 26 -0.267 -18.766 -0.812 1.00 0.00 C ATOM 457 OE1 GLN A 26 -0.327 -19.509 0.159 1.00 0.00 O ATOM 458 NE2 GLN A 26 -1.329 -18.561 -1.583 1.00 0.00 N ATOM 0 H GLN A 26 2.487 -15.939 0.959 1.00 0.00 H new ATOM 0 HA GLN A 26 4.171 -18.094 0.136 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.375 -19.282 -0.067 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.657 -17.988 0.873 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.829 -16.976 -1.299 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.406 -18.411 -2.123 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.262 -17.939 -2.388 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.211 -19.026 -1.370 1.00 0.00 H new ATOM 467 N ALA A 27 3.159 -15.891 -2.129 1.00 0.00 N ATOM 468 CA ALA A 27 3.485 -15.294 -3.412 1.00 0.00 C ATOM 469 C ALA A 27 4.947 -14.846 -3.448 1.00 0.00 C ATOM 470 O ALA A 27 5.649 -15.120 -4.416 1.00 0.00 O ATOM 471 CB ALA A 27 2.561 -14.116 -3.683 1.00 0.00 C ATOM 0 H ALA A 27 2.434 -15.391 -1.615 1.00 0.00 H new ATOM 0 HA ALA A 27 3.343 -16.043 -4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.810 -13.672 -4.647 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.527 -14.461 -3.699 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.683 -13.370 -2.898 1.00 0.00 H new ATOM 477 N TYR A 28 5.426 -14.165 -2.402 1.00 0.00 N ATOM 478 CA TYR A 28 6.825 -13.742 -2.341 1.00 0.00 C ATOM 479 C TYR A 28 7.755 -14.937 -2.580 1.00 0.00 C ATOM 480 O TYR A 28 8.754 -14.825 -3.292 1.00 0.00 O ATOM 481 CB TYR A 28 7.141 -13.055 -1.003 1.00 0.00 C ATOM 482 CG TYR A 28 8.146 -11.921 -1.104 1.00 0.00 C ATOM 483 CD1 TYR A 28 7.702 -10.632 -1.450 1.00 0.00 C ATOM 484 CD2 TYR A 28 9.501 -12.118 -0.775 1.00 0.00 C ATOM 485 CE1 TYR A 28 8.585 -9.541 -1.426 1.00 0.00 C ATOM 486 CE2 TYR A 28 10.377 -11.015 -0.714 1.00 0.00 C ATOM 487 CZ TYR A 28 9.919 -9.725 -1.034 1.00 0.00 C ATOM 488 OH TYR A 28 10.753 -8.647 -1.021 1.00 0.00 O ATOM 0 H TYR A 28 4.868 -13.897 -1.591 1.00 0.00 H new ATOM 0 HA TYR A 28 6.994 -13.011 -3.132 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.215 -12.667 -0.580 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.522 -13.801 -0.306 1.00 0.00 H new ATOM 0 HD1 TYR A 28 6.672 -10.480 -1.737 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.869 -13.113 -0.570 1.00 0.00 H new ATOM 0 HE1 TYR A 28 8.237 -8.559 -1.710 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.406 -11.162 -0.420 1.00 0.00 H new ATOM 0 HH TYR A 28 11.645 -8.927 -0.727 1.00 0.00 H new ATOM 498 N GLU A 29 7.420 -16.081 -1.981 1.00 0.00 N ATOM 499 CA GLU A 29 8.169 -17.307 -2.151 1.00 0.00 C ATOM 500 C GLU A 29 8.192 -17.688 -3.633 1.00 0.00 C ATOM 501 O GLU A 29 9.266 -17.809 -4.228 1.00 0.00 O ATOM 502 CB GLU A 29 7.583 -18.420 -1.267 1.00 0.00 C ATOM 503 CG GLU A 29 8.572 -19.575 -1.066 1.00 0.00 C ATOM 504 CD GLU A 29 9.717 -19.164 -0.161 1.00 0.00 C ATOM 505 OE1 GLU A 29 9.484 -18.955 1.045 1.00 0.00 O ATOM 506 OE2 GLU A 29 10.837 -18.967 -0.674 1.00 0.00 O ATOM 0 H GLU A 29 6.614 -16.174 -1.362 1.00 0.00 H new ATOM 0 HA GLU A 29 9.200 -17.161 -1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.308 -18.006 -0.297 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.669 -18.801 -1.722 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.053 -20.431 -0.635 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.964 -19.894 -2.032 1.00 0.00 H new ATOM 513 N ARG A 30 7.016 -17.859 -4.246 1.00 0.00 N ATOM 514 CA ARG A 30 6.947 -18.484 -5.561 1.00 0.00 C ATOM 515 C ARG A 30 7.460 -17.525 -6.645 1.00 0.00 C ATOM 516 O ARG A 30 8.170 -17.966 -7.553 1.00 0.00 O ATOM 517 CB ARG A 30 5.537 -19.024 -5.884 1.00 0.00 C ATOM 518 CG ARG A 30 4.399 -18.041 -5.576 1.00 0.00 C ATOM 519 CD ARG A 30 3.290 -18.007 -6.628 1.00 0.00 C ATOM 520 NE ARG A 30 2.603 -19.298 -6.790 1.00 0.00 N ATOM 521 CZ ARG A 30 1.303 -19.550 -6.563 1.00 0.00 C ATOM 522 NH1 ARG A 30 0.592 -18.769 -5.749 1.00 0.00 N ATOM 523 NH2 ARG A 30 0.743 -20.595 -7.164 1.00 0.00 N ATOM 0 H ARG A 30 6.116 -17.577 -3.857 1.00 0.00 H new ATOM 0 HA ARG A 30 7.604 -19.353 -5.545 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.496 -19.290 -6.940 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.373 -19.941 -5.318 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.961 -18.302 -4.613 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.818 -17.040 -5.475 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.560 -17.247 -6.352 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.716 -17.707 -7.585 1.00 0.00 H new ATOM 0 HE ARG A 30 3.172 -20.083 -7.107 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.035 -17.972 -5.292 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.394 -18.969 -5.583 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.299 -21.186 -7.782 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.242 -20.806 -7.007 1.00 0.00 H new ATOM 537 N GLN A 31 7.150 -16.229 -6.554 1.00 0.00 N ATOM 538 CA GLN A 31 7.709 -15.205 -7.424 1.00 0.00 C ATOM 539 C GLN A 31 7.649 -13.822 -6.770 1.00 0.00 C ATOM 540 O GLN A 31 6.700 -13.071 -6.939 1.00 0.00 O ATOM 541 CB GLN A 31 7.073 -15.223 -8.823 1.00 0.00 C ATOM 542 CG GLN A 31 5.540 -15.136 -8.878 1.00 0.00 C ATOM 543 CD GLN A 31 5.072 -15.113 -10.328 1.00 0.00 C ATOM 544 OE1 GLN A 31 5.661 -14.438 -11.171 1.00 0.00 O ATOM 545 NE2 GLN A 31 4.017 -15.843 -10.669 1.00 0.00 N ATOM 0 H GLN A 31 6.495 -15.862 -5.863 1.00 0.00 H new ATOM 0 HA GLN A 31 8.763 -15.442 -7.568 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.483 -14.391 -9.395 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.381 -16.139 -9.327 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.100 -15.987 -8.359 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.200 -14.238 -8.363 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.533 -16.400 -9.965 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.690 -15.847 -11.635 1.00 0.00 H new ATOM 554 N LYS A 32 8.717 -13.445 -6.074 1.00 0.00 N ATOM 555 CA LYS A 32 8.927 -12.102 -5.551 1.00 0.00 C ATOM 556 C LYS A 32 8.668 -11.002 -6.597 1.00 0.00 C ATOM 557 O LYS A 32 8.337 -9.874 -6.227 1.00 0.00 O ATOM 558 CB LYS A 32 10.350 -12.099 -4.991 1.00 0.00 C ATOM 559 CG LYS A 32 10.875 -10.803 -4.384 1.00 0.00 C ATOM 560 CD LYS A 32 12.322 -10.965 -3.879 1.00 0.00 C ATOM 561 CE LYS A 32 12.641 -12.271 -3.119 1.00 0.00 C ATOM 562 NZ LYS A 32 12.881 -13.441 -3.992 1.00 0.00 N ATOM 0 H LYS A 32 9.481 -14.084 -5.853 1.00 0.00 H new ATOM 0 HA LYS A 32 8.207 -11.862 -4.768 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.410 -12.874 -4.227 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.026 -12.390 -5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.835 -10.008 -5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.232 -10.499 -3.558 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.993 -10.895 -4.735 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.552 -10.124 -3.225 1.00 0.00 H new ATOM 0 HE2 LYS A 32 13.522 -12.110 -2.497 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.813 -12.498 -2.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.125 -14.141 -3.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.888 -13.137 -4.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.799 -13.869 -3.755 1.00 0.00 H new ATOM 576 N ASN A 33 8.856 -11.289 -7.886 1.00 0.00 N ATOM 577 CA ASN A 33 8.419 -10.446 -8.993 1.00 0.00 C ATOM 578 C ASN A 33 6.964 -10.765 -9.363 1.00 0.00 C ATOM 579 O ASN A 33 6.760 -11.687 -10.156 1.00 0.00 O ATOM 580 CB ASN A 33 9.276 -10.704 -10.240 1.00 0.00 C ATOM 581 CG ASN A 33 10.659 -10.088 -10.163 1.00 0.00 C ATOM 582 OD1 ASN A 33 10.827 -8.886 -10.344 1.00 0.00 O ATOM 583 ND2 ASN A 33 11.680 -10.891 -9.916 1.00 0.00 N ATOM 0 H ASN A 33 9.330 -12.138 -8.194 1.00 0.00 H new ATOM 0 HA ASN A 33 8.517 -9.409 -8.673 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.374 -11.780 -10.387 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.759 -10.308 -11.114 1.00 0.00 H new ATOM 0 HD21 ASN A 33 12.627 -10.514 -9.873 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.521 -11.888 -9.768 1.00 0.00 H new ATOM 590 N PRO A 34 5.963 -9.989 -8.909 1.00 0.00 N ATOM 591 CA PRO A 34 4.586 -10.173 -9.344 1.00 0.00 C ATOM 592 C PRO A 34 4.475 -10.069 -10.863 1.00 0.00 C ATOM 593 O PRO A 34 4.964 -9.102 -11.455 1.00 0.00 O ATOM 594 CB PRO A 34 3.773 -9.074 -8.646 1.00 0.00 C ATOM 595 CG PRO A 34 4.810 -8.022 -8.260 1.00 0.00 C ATOM 596 CD PRO A 34 6.033 -8.885 -7.964 1.00 0.00 C ATOM 0 HA PRO A 34 4.213 -11.163 -9.082 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.014 -8.659 -9.309 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.253 -9.460 -7.769 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.995 -7.314 -9.068 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.500 -7.441 -7.392 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.955 -8.317 -8.090 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.020 -9.246 -6.936 1.00 0.00 H new ATOM 604 N SER A 35 3.832 -11.047 -11.502 1.00 0.00 N ATOM 605 CA SER A 35 3.660 -11.099 -12.944 1.00 0.00 C ATOM 606 C SER A 35 2.202 -10.829 -13.307 1.00 0.00 C ATOM 607 O SER A 35 1.822 -9.683 -13.549 1.00 0.00 O ATOM 608 CB SER A 35 4.138 -12.459 -13.452 1.00 0.00 C ATOM 609 OG SER A 35 3.548 -13.485 -12.673 1.00 0.00 O ATOM 0 H SER A 35 3.410 -11.839 -11.017 1.00 0.00 H new ATOM 0 HA SER A 35 4.258 -10.326 -13.426 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.869 -12.583 -14.501 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.225 -12.521 -13.392 1.00 0.00 H new ATOM 0 HG SER A 35 4.250 -14.061 -12.305 1.00 0.00 H new ATOM 615 N LYS A 36 1.390 -11.884 -13.363 1.00 0.00 N ATOM 616 CA LYS A 36 -0.004 -11.845 -13.772 1.00 0.00 C ATOM 617 C LYS A 36 -0.810 -12.641 -12.744 1.00 0.00 C ATOM 618 O LYS A 36 -1.232 -12.019 -11.772 1.00 0.00 O ATOM 619 CB LYS A 36 -0.129 -12.271 -15.254 1.00 0.00 C ATOM 620 CG LYS A 36 -0.769 -11.198 -16.160 1.00 0.00 C ATOM 621 CD LYS A 36 -2.163 -11.603 -16.665 1.00 0.00 C ATOM 622 CE LYS A 36 -3.190 -11.851 -15.551 1.00 0.00 C ATOM 623 NZ LYS A 36 -3.801 -10.626 -15.007 1.00 0.00 N ATOM 0 H LYS A 36 1.702 -12.823 -13.114 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.432 -10.843 -13.767 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.862 -12.512 -15.638 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.724 -13.183 -15.311 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.845 -10.261 -15.608 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.117 -11.013 -17.014 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.540 -10.820 -17.323 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.070 -12.508 -17.266 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.979 -12.496 -15.937 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.705 -12.392 -14.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.701 -10.863 -14.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.157 -10.195 -14.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.977 -9.953 -15.780 1.00 0.00 H new ATOM 637 N GLU A 37 -0.971 -13.964 -12.920 1.00 0.00 N ATOM 638 CA GLU A 37 -1.659 -14.883 -12.003 1.00 0.00 C ATOM 639 C GLU A 37 -1.422 -14.465 -10.562 1.00 0.00 C ATOM 640 O GLU A 37 -2.378 -14.263 -9.832 1.00 0.00 O ATOM 641 CB GLU A 37 -1.140 -16.318 -12.218 1.00 0.00 C ATOM 642 CG GLU A 37 -1.916 -17.351 -11.371 1.00 0.00 C ATOM 643 CD GLU A 37 -1.126 -18.605 -11.046 1.00 0.00 C ATOM 644 OE1 GLU A 37 0.121 -18.550 -11.068 1.00 0.00 O ATOM 645 OE2 GLU A 37 -1.755 -19.640 -10.758 1.00 0.00 O ATOM 0 H GLU A 37 -0.607 -14.442 -13.745 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.729 -14.849 -12.209 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.224 -16.579 -13.273 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.081 -16.362 -11.962 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.228 -16.880 -10.439 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.823 -17.634 -11.905 1.00 0.00 H new ATOM 652 N GLU A 38 -0.165 -14.337 -10.153 1.00 0.00 N ATOM 653 CA GLU A 38 0.172 -14.067 -8.769 1.00 0.00 C ATOM 654 C GLU A 38 -0.658 -12.909 -8.181 1.00 0.00 C ATOM 655 O GLU A 38 -1.199 -13.042 -7.086 1.00 0.00 O ATOM 656 CB GLU A 38 1.691 -13.898 -8.684 1.00 0.00 C ATOM 657 CG GLU A 38 2.170 -13.576 -7.271 1.00 0.00 C ATOM 658 CD GLU A 38 2.513 -12.106 -7.155 1.00 0.00 C ATOM 659 OE1 GLU A 38 1.642 -11.271 -7.481 1.00 0.00 O ATOM 660 OE2 GLU A 38 3.675 -11.838 -6.812 1.00 0.00 O ATOM 0 H GLU A 38 0.642 -14.418 -10.771 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.102 -14.904 -8.127 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.174 -14.813 -9.027 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.002 -13.101 -9.359 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.395 -13.834 -6.549 1.00 0.00 H new ATOM 0 HG3 GLU A 38 3.044 -14.181 -7.029 1.00 0.00 H new ATOM 667 N ARG A 39 -0.861 -11.814 -8.916 1.00 0.00 N ATOM 668 CA ARG A 39 -1.650 -10.704 -8.396 1.00 0.00 C ATOM 669 C ARG A 39 -3.093 -11.178 -8.161 1.00 0.00 C ATOM 670 O ARG A 39 -3.676 -11.000 -7.093 1.00 0.00 O ATOM 671 CB ARG A 39 -1.679 -9.562 -9.422 1.00 0.00 C ATOM 672 CG ARG A 39 -0.311 -8.914 -9.691 1.00 0.00 C ATOM 673 CD ARG A 39 -0.074 -8.728 -11.199 1.00 0.00 C ATOM 674 NE ARG A 39 -1.255 -8.195 -11.910 1.00 0.00 N ATOM 675 CZ ARG A 39 -1.461 -6.944 -12.348 1.00 0.00 C ATOM 676 NH1 ARG A 39 -0.573 -5.976 -12.125 1.00 0.00 N ATOM 677 NH2 ARG A 39 -2.573 -6.674 -13.018 1.00 0.00 N ATOM 0 H ARG A 39 -0.495 -11.676 -9.858 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.205 -10.355 -7.464 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.077 -9.944 -10.362 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.369 -8.794 -9.073 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.258 -7.948 -9.189 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.479 -9.536 -9.269 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.768 -8.052 -11.348 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.205 -9.686 -11.638 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.006 -8.861 -12.090 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.285 -6.179 -11.612 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.751 -5.032 -12.468 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.255 -7.412 -13.193 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.746 -5.728 -13.359 1.00 0.00 H new ATOM 691 N GLU A 40 -3.685 -11.739 -9.216 1.00 0.00 N ATOM 692 CA GLU A 40 -4.976 -12.404 -9.207 1.00 0.00 C ATOM 693 C GLU A 40 -5.185 -13.364 -8.028 1.00 0.00 C ATOM 694 O GLU A 40 -6.067 -13.153 -7.195 1.00 0.00 O ATOM 695 CB GLU A 40 -5.335 -12.901 -10.623 1.00 0.00 C ATOM 696 CG GLU A 40 -4.409 -12.477 -11.773 1.00 0.00 C ATOM 697 CD GLU A 40 -4.926 -12.919 -13.124 1.00 0.00 C ATOM 698 OE1 GLU A 40 -5.675 -12.109 -13.710 1.00 0.00 O ATOM 699 OE2 GLU A 40 -4.578 -14.010 -13.615 1.00 0.00 O ATOM 0 H GLU A 40 -3.252 -11.739 -10.140 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.751 -11.674 -8.975 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.368 -13.990 -10.600 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.342 -12.557 -10.856 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.299 -11.393 -11.766 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.417 -12.899 -11.611 1.00 0.00 H new ATOM 706 N THR A 41 -4.341 -14.379 -7.937 1.00 0.00 N ATOM 707 CA THR A 41 -4.280 -15.333 -6.857 1.00 0.00 C ATOM 708 C THR A 41 -4.194 -14.609 -5.518 1.00 0.00 C ATOM 709 O THR A 41 -4.924 -14.957 -4.603 1.00 0.00 O ATOM 710 CB THR A 41 -3.121 -16.325 -7.122 1.00 0.00 C ATOM 711 OG1 THR A 41 -3.636 -17.641 -7.135 1.00 0.00 O ATOM 712 CG2 THR A 41 -1.938 -16.245 -6.152 1.00 0.00 C ATOM 0 H THR A 41 -3.644 -14.564 -8.658 1.00 0.00 H new ATOM 0 HA THR A 41 -5.193 -15.926 -6.807 1.00 0.00 H new ATOM 0 HB THR A 41 -2.707 -16.035 -8.088 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.908 -18.275 -7.304 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.187 -16.984 -6.432 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.500 -15.248 -6.194 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.284 -16.447 -5.138 1.00 0.00 H new ATOM 720 N LEU A 42 -3.332 -13.607 -5.364 1.00 0.00 N ATOM 721 CA LEU A 42 -3.181 -12.950 -4.087 1.00 0.00 C ATOM 722 C LEU A 42 -4.506 -12.345 -3.657 1.00 0.00 C ATOM 723 O LEU A 42 -4.940 -12.566 -2.531 1.00 0.00 O ATOM 724 CB LEU A 42 -2.090 -11.887 -4.174 1.00 0.00 C ATOM 725 CG LEU A 42 -0.690 -12.453 -3.920 1.00 0.00 C ATOM 726 CD1 LEU A 42 0.324 -11.344 -4.174 1.00 0.00 C ATOM 727 CD2 LEU A 42 -0.536 -12.935 -2.475 1.00 0.00 C ATOM 0 H LEU A 42 -2.736 -13.241 -6.106 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.882 -13.681 -3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.117 -11.425 -5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.296 -11.100 -3.448 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.529 -13.303 -4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.330 -11.724 -3.999 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.239 -11.003 -5.206 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.129 -10.511 -3.499 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.469 -13.331 -2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.700 -12.100 -1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.267 -13.718 -2.273 1.00 0.00 H new ATOM 739 N VAL A 43 -5.151 -11.569 -4.526 1.00 0.00 N ATOM 740 CA VAL A 43 -6.419 -10.963 -4.156 1.00 0.00 C ATOM 741 C VAL A 43 -7.469 -12.048 -3.875 1.00 0.00 C ATOM 742 O VAL A 43 -8.243 -11.912 -2.930 1.00 0.00 O ATOM 743 CB VAL A 43 -6.873 -9.940 -5.209 1.00 0.00 C ATOM 744 CG1 VAL A 43 -8.176 -9.295 -4.725 1.00 0.00 C ATOM 745 CG2 VAL A 43 -5.838 -8.818 -5.376 1.00 0.00 C ATOM 0 H VAL A 43 -4.824 -11.351 -5.467 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.289 -10.403 -3.230 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.000 -10.458 -6.160 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.515 -8.565 -5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.938 -10.064 -4.599 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.003 -8.797 -3.771 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.187 -8.110 -6.127 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.704 -8.302 -4.425 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.887 -9.245 -5.694 1.00 0.00 H new ATOM 755 N GLU A 44 -7.502 -13.108 -4.680 1.00 0.00 N ATOM 756 CA GLU A 44 -8.432 -14.222 -4.548 1.00 0.00 C ATOM 757 C GLU A 44 -8.258 -14.920 -3.190 1.00 0.00 C ATOM 758 O GLU A 44 -9.168 -14.953 -2.360 1.00 0.00 O ATOM 759 CB GLU A 44 -8.151 -15.164 -5.731 1.00 0.00 C ATOM 760 CG GLU A 44 -9.104 -16.353 -5.846 1.00 0.00 C ATOM 761 CD GLU A 44 -10.041 -16.228 -7.026 1.00 0.00 C ATOM 762 OE1 GLU A 44 -10.649 -15.150 -7.194 1.00 0.00 O ATOM 763 OE2 GLU A 44 -10.127 -17.201 -7.802 1.00 0.00 O ATOM 0 H GLU A 44 -6.861 -13.216 -5.466 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.469 -13.887 -4.575 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.199 -14.588 -6.655 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.132 -15.541 -5.643 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.525 -17.272 -5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.688 -16.437 -4.929 1.00 0.00 H new ATOM 770 N GLU A 45 -7.080 -15.496 -2.967 1.00 0.00 N ATOM 771 CA GLU A 45 -6.768 -16.250 -1.769 1.00 0.00 C ATOM 772 C GLU A 45 -6.936 -15.314 -0.573 1.00 0.00 C ATOM 773 O GLU A 45 -7.492 -15.693 0.453 1.00 0.00 O ATOM 774 CB GLU A 45 -5.346 -16.824 -1.848 1.00 0.00 C ATOM 775 CG GLU A 45 -5.298 -18.353 -1.926 1.00 0.00 C ATOM 776 CD GLU A 45 -5.679 -19.034 -0.627 1.00 0.00 C ATOM 777 OE1 GLU A 45 -6.771 -18.765 -0.089 1.00 0.00 O ATOM 778 OE2 GLU A 45 -4.962 -19.968 -0.222 1.00 0.00 O ATOM 0 H GLU A 45 -6.306 -15.448 -3.629 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.441 -17.100 -1.662 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.845 -16.409 -2.723 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.783 -16.497 -0.974 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.970 -18.690 -2.715 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.292 -18.664 -2.209 1.00 0.00 H new ATOM 785 N CYS A 46 -6.489 -14.061 -0.709 1.00 0.00 N ATOM 786 CA CYS A 46 -6.713 -13.073 0.334 1.00 0.00 C ATOM 787 C CYS A 46 -8.199 -12.961 0.648 1.00 0.00 C ATOM 788 O CYS A 46 -8.585 -13.093 1.800 1.00 0.00 O ATOM 789 CB CYS A 46 -6.196 -11.688 -0.047 1.00 0.00 C ATOM 790 SG CYS A 46 -6.593 -10.623 1.353 1.00 0.00 S ATOM 0 H CYS A 46 -5.978 -13.717 -1.522 1.00 0.00 H new ATOM 0 HA CYS A 46 -6.159 -13.419 1.207 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -5.122 -11.708 -0.233 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -6.671 -11.329 -0.960 1.00 0.00 H new ATOM 0 HG CYS A 46 -5.896 -10.988 2.388 1.00 0.00 H new ATOM 796 N ASN A 47 -9.037 -12.734 -0.365 1.00 0.00 N ATOM 797 CA ASN A 47 -10.487 -12.639 -0.208 1.00 0.00 C ATOM 798 C ASN A 47 -10.987 -13.821 0.618 1.00 0.00 C ATOM 799 O ASN A 47 -11.680 -13.637 1.620 1.00 0.00 O ATOM 800 CB ASN A 47 -11.193 -12.602 -1.577 1.00 0.00 C ATOM 801 CG ASN A 47 -11.616 -11.201 -1.990 1.00 0.00 C ATOM 802 OD1 ASN A 47 -12.754 -10.795 -1.776 1.00 0.00 O ATOM 803 ND2 ASN A 47 -10.713 -10.462 -2.617 1.00 0.00 N ATOM 0 H ASN A 47 -8.723 -12.610 -1.328 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.722 -11.709 0.310 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.526 -13.012 -2.335 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -12.072 -13.246 -1.544 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -10.955 -9.525 -2.938 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -9.776 -10.830 -2.779 1.00 0.00 H new ATOM 810 N ARG A 48 -10.603 -15.034 0.219 1.00 0.00 N ATOM 811 CA ARG A 48 -10.987 -16.257 0.903 1.00 0.00 C ATOM 812 C ARG A 48 -10.560 -16.180 2.373 1.00 0.00 C ATOM 813 O ARG A 48 -11.390 -16.190 3.281 1.00 0.00 O ATOM 814 CB ARG A 48 -10.375 -17.460 0.158 1.00 0.00 C ATOM 815 CG ARG A 48 -10.882 -18.798 0.707 1.00 0.00 C ATOM 816 CD ARG A 48 -10.427 -19.990 -0.149 1.00 0.00 C ATOM 817 NE ARG A 48 -8.974 -20.238 -0.051 1.00 0.00 N ATOM 818 CZ ARG A 48 -8.368 -21.401 -0.339 1.00 0.00 C ATOM 819 NH1 ARG A 48 -9.077 -22.382 -0.910 1.00 0.00 N ATOM 820 NH2 ARG A 48 -7.084 -21.600 -0.050 1.00 0.00 N ATOM 0 H ARG A 48 -10.011 -15.191 -0.597 1.00 0.00 H new ATOM 0 HA ARG A 48 -12.069 -16.386 0.897 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.616 -17.389 -0.903 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.289 -17.423 0.241 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -10.523 -18.929 1.728 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -11.971 -18.781 0.752 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -10.966 -20.884 0.164 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -10.691 -19.806 -1.190 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.385 -19.465 0.260 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -10.065 -22.241 -1.121 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.629 -23.271 -1.134 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.542 -20.862 0.399 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.642 -22.491 -0.277 1.00 0.00 H new ATOM 834 N ALA A 49 -9.259 -16.083 2.613 1.00 0.00 N ATOM 835 CA ALA A 49 -8.683 -16.064 3.948 1.00 0.00 C ATOM 836 C ALA A 49 -9.291 -14.956 4.811 1.00 0.00 C ATOM 837 O ALA A 49 -9.527 -15.145 6.006 1.00 0.00 O ATOM 838 CB ALA A 49 -7.166 -15.893 3.840 1.00 0.00 C ATOM 0 H ALA A 49 -8.563 -16.014 1.871 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.911 -17.011 4.437 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.730 -15.878 4.839 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.746 -16.723 3.273 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.941 -14.955 3.332 1.00 0.00 H new ATOM 844 N GLU A 50 -9.536 -13.789 4.218 1.00 0.00 N ATOM 845 CA GLU A 50 -9.917 -12.591 4.933 1.00 0.00 C ATOM 846 C GLU A 50 -11.400 -12.695 5.306 1.00 0.00 C ATOM 847 O GLU A 50 -11.821 -12.168 6.338 1.00 0.00 O ATOM 848 CB GLU A 50 -9.502 -11.341 4.141 1.00 0.00 C ATOM 849 CG GLU A 50 -9.486 -10.051 4.981 1.00 0.00 C ATOM 850 CD GLU A 50 -8.106 -9.558 5.383 1.00 0.00 C ATOM 851 OE1 GLU A 50 -7.305 -10.336 5.958 1.00 0.00 O ATOM 852 OE2 GLU A 50 -7.868 -8.347 5.178 1.00 0.00 O ATOM 0 H GLU A 50 -9.472 -13.656 3.209 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.382 -12.489 5.877 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.510 -11.502 3.720 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.186 -11.209 3.303 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.986 -9.263 4.417 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.072 -10.218 5.885 1.00 0.00 H new ATOM 859 N CYS A 51 -12.184 -13.432 4.516 1.00 0.00 N ATOM 860 CA CYS A 51 -13.523 -13.839 4.923 1.00 0.00 C ATOM 861 C CYS A 51 -13.466 -14.877 6.052 1.00 0.00 C ATOM 862 O CYS A 51 -14.203 -14.757 7.033 1.00 0.00 O ATOM 863 CB CYS A 51 -14.371 -14.299 3.723 1.00 0.00 C ATOM 864 SG CYS A 51 -14.641 -16.089 3.681 1.00 0.00 S ATOM 0 H CYS A 51 -11.910 -13.758 3.589 1.00 0.00 H new ATOM 0 HA CYS A 51 -14.032 -12.965 5.329 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -15.336 -13.794 3.754 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -13.879 -13.991 2.800 1.00 0.00 H new ATOM 0 HG CYS A 51 -15.783 -16.369 4.236 1.00 0.00 H new ATOM 870 N ILE A 52 -12.572 -15.871 5.961 1.00 0.00 N ATOM 871 CA ILE A 52 -12.586 -17.025 6.856 1.00 0.00 C ATOM 872 C ILE A 52 -12.279 -16.550 8.268 1.00 0.00 C ATOM 873 O ILE A 52 -12.944 -16.946 9.220 1.00 0.00 O ATOM 874 CB ILE A 52 -11.612 -18.116 6.364 1.00 0.00 C ATOM 875 CG1 ILE A 52 -12.231 -18.824 5.145 1.00 0.00 C ATOM 876 CG2 ILE A 52 -11.315 -19.149 7.465 1.00 0.00 C ATOM 877 CD1 ILE A 52 -11.259 -19.766 4.428 1.00 0.00 C ATOM 0 H ILE A 52 -11.825 -15.894 5.267 1.00 0.00 H new ATOM 0 HA ILE A 52 -13.573 -17.488 6.860 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.670 -17.640 6.092 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -13.103 -19.392 5.469 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -12.584 -18.073 4.439 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.626 -19.901 7.082 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.865 -18.648 8.322 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -12.243 -19.630 7.772 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -11.762 -20.231 3.580 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.398 -19.199 4.074 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.925 -20.539 5.120 1.00 0.00 H new ATOM 889 N GLN A 53 -11.308 -15.648 8.396 1.00 0.00 N ATOM 890 CA GLN A 53 -10.938 -15.082 9.695 1.00 0.00 C ATOM 891 C GLN A 53 -12.114 -14.391 10.417 1.00 0.00 C ATOM 892 O GLN A 53 -11.965 -14.019 11.577 1.00 0.00 O ATOM 893 CB GLN A 53 -9.731 -14.135 9.557 1.00 0.00 C ATOM 894 CG GLN A 53 -10.076 -12.997 8.599 1.00 0.00 C ATOM 895 CD GLN A 53 -8.995 -11.943 8.415 1.00 0.00 C ATOM 896 OE1 GLN A 53 -9.197 -10.780 8.757 1.00 0.00 O ATOM 897 NE2 GLN A 53 -7.883 -12.298 7.794 1.00 0.00 N ATOM 0 H GLN A 53 -10.760 -15.291 7.613 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.651 -15.922 10.327 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.459 -13.732 10.533 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.866 -14.685 9.187 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.311 -13.425 7.624 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.980 -12.506 8.958 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.740 -13.270 7.521 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.169 -11.600 7.588 1.00 0.00 H new ATOM 906 N ARG A 54 -13.242 -14.137 9.741 1.00 0.00 N ATOM 907 CA ARG A 54 -14.437 -13.531 10.327 1.00 0.00 C ATOM 908 C ARG A 54 -15.656 -14.447 10.183 1.00 0.00 C ATOM 909 O ARG A 54 -16.763 -14.020 10.496 1.00 0.00 O ATOM 910 CB ARG A 54 -14.719 -12.208 9.604 1.00 0.00 C ATOM 911 CG ARG A 54 -13.625 -11.166 9.859 1.00 0.00 C ATOM 912 CD ARG A 54 -13.462 -10.239 8.646 1.00 0.00 C ATOM 913 NE ARG A 54 -12.092 -9.716 8.566 1.00 0.00 N ATOM 914 CZ ARG A 54 -11.586 -8.751 9.347 1.00 0.00 C ATOM 915 NH1 ARG A 54 -12.389 -8.129 10.217 1.00 0.00 N ATOM 916 NH2 ARG A 54 -10.294 -8.432 9.272 1.00 0.00 N ATOM 0 H ARG A 54 -13.348 -14.353 8.750 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.258 -13.366 11.390 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.801 -12.391 8.533 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -15.679 -11.813 9.934 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.876 -10.577 10.741 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.680 -11.668 10.069 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.702 -10.783 7.733 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.168 -9.411 8.718 1.00 0.00 H new ATOM 0 HE ARG A 54 -11.476 -10.119 7.860 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.373 -8.391 10.280 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.018 -7.393 10.818 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -9.685 -8.923 8.618 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.915 -7.697 9.869 1.00 0.00 H new ATOM 930 N GLY A 55 -15.485 -15.663 9.661 1.00 0.00 N ATOM 931 CA GLY A 55 -16.599 -16.519 9.279 1.00 0.00 C ATOM 932 C GLY A 55 -17.580 -15.797 8.352 1.00 0.00 C ATOM 933 O GLY A 55 -18.784 -16.032 8.413 1.00 0.00 O ATOM 0 H GLY A 55 -14.569 -16.078 9.493 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -16.218 -17.411 8.781 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -17.124 -16.853 10.174 1.00 0.00 H new ATOM 937 N VAL A 56 -17.082 -14.916 7.481 1.00 0.00 N ATOM 938 CA VAL A 56 -17.937 -14.257 6.507 1.00 0.00 C ATOM 939 C VAL A 56 -18.282 -15.278 5.426 1.00 0.00 C ATOM 940 O VAL A 56 -17.459 -16.107 5.051 1.00 0.00 O ATOM 941 CB VAL A 56 -17.247 -13.000 5.946 1.00 0.00 C ATOM 942 CG1 VAL A 56 -17.861 -12.462 4.650 1.00 0.00 C ATOM 943 CG2 VAL A 56 -17.336 -11.862 6.956 1.00 0.00 C ATOM 0 H VAL A 56 -16.099 -14.648 7.435 1.00 0.00 H new ATOM 0 HA VAL A 56 -18.862 -13.908 6.967 1.00 0.00 H new ATOM 0 HB VAL A 56 -16.224 -13.317 5.742 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -17.313 -11.577 4.328 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -17.804 -13.227 3.875 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -18.904 -12.199 4.824 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -16.845 -10.977 6.551 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -18.383 -11.636 7.158 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -16.843 -12.158 7.882 1.00 0.00 H new ATOM 953 N SER A 57 -19.505 -15.193 4.911 1.00 0.00 N ATOM 954 CA SER A 57 -19.955 -15.977 3.778 1.00 0.00 C ATOM 955 C SER A 57 -18.964 -15.741 2.632 1.00 0.00 C ATOM 956 O SER A 57 -18.838 -14.588 2.225 1.00 0.00 O ATOM 957 CB SER A 57 -21.353 -15.479 3.397 1.00 0.00 C ATOM 958 OG SER A 57 -22.314 -16.488 3.639 1.00 0.00 O ATOM 0 H SER A 57 -20.219 -14.565 5.280 1.00 0.00 H new ATOM 0 HA SER A 57 -20.001 -17.043 4.002 1.00 0.00 H new ATOM 0 HB2 SER A 57 -21.599 -14.587 3.973 1.00 0.00 H new ATOM 0 HB3 SER A 57 -21.371 -15.194 2.345 1.00 0.00 H new ATOM 0 HG SER A 57 -23.204 -16.158 3.394 1.00 0.00 H new ATOM 964 N PRO A 58 -18.270 -16.754 2.095 1.00 0.00 N ATOM 965 CA PRO A 58 -17.227 -16.541 1.099 1.00 0.00 C ATOM 966 C PRO A 58 -17.770 -15.841 -0.145 1.00 0.00 C ATOM 967 O PRO A 58 -17.139 -14.938 -0.691 1.00 0.00 O ATOM 968 CB PRO A 58 -16.640 -17.926 0.804 1.00 0.00 C ATOM 969 CG PRO A 58 -17.738 -18.899 1.242 1.00 0.00 C ATOM 970 CD PRO A 58 -18.420 -18.166 2.399 1.00 0.00 C ATOM 0 HA PRO A 58 -16.448 -15.872 1.465 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -16.404 -18.042 -0.254 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -15.716 -18.093 1.357 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -18.436 -19.108 0.432 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -17.324 -19.855 1.561 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -19.471 -18.443 2.476 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -17.954 -18.415 3.352 1.00 0.00 H new ATOM 978 N SER A 59 -18.979 -16.211 -0.560 1.00 0.00 N ATOM 979 CA SER A 59 -19.702 -15.550 -1.632 1.00 0.00 C ATOM 980 C SER A 59 -19.819 -14.047 -1.364 1.00 0.00 C ATOM 981 O SER A 59 -19.764 -13.237 -2.285 1.00 0.00 O ATOM 982 CB SER A 59 -21.084 -16.208 -1.717 1.00 0.00 C ATOM 983 OG SER A 59 -21.515 -16.580 -0.412 1.00 0.00 O ATOM 0 H SER A 59 -19.489 -16.994 -0.150 1.00 0.00 H new ATOM 0 HA SER A 59 -19.172 -15.657 -2.579 1.00 0.00 H new ATOM 0 HB2 SER A 59 -21.800 -15.519 -2.165 1.00 0.00 H new ATOM 0 HB3 SER A 59 -21.041 -17.086 -2.361 1.00 0.00 H new ATOM 0 HG SER A 59 -22.399 -16.999 -0.467 1.00 0.00 H new ATOM 989 N GLN A 60 -19.981 -13.676 -0.093 1.00 0.00 N ATOM 990 CA GLN A 60 -20.096 -12.307 0.364 1.00 0.00 C ATOM 991 C GLN A 60 -18.793 -11.837 1.007 1.00 0.00 C ATOM 992 O GLN A 60 -18.829 -10.977 1.891 1.00 0.00 O ATOM 993 CB GLN A 60 -21.262 -12.218 1.362 1.00 0.00 C ATOM 994 CG GLN A 60 -21.870 -10.809 1.414 1.00 0.00 C ATOM 995 CD GLN A 60 -22.750 -10.639 2.643 1.00 0.00 C ATOM 996 OE1 GLN A 60 -23.963 -10.521 2.543 1.00 0.00 O ATOM 997 NE2 GLN A 60 -22.142 -10.633 3.824 1.00 0.00 N ATOM 0 H GLN A 60 -20.037 -14.353 0.668 1.00 0.00 H new ATOM 0 HA GLN A 60 -20.292 -11.654 -0.486 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -22.034 -12.935 1.083 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -20.911 -12.498 2.355 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -21.073 -10.066 1.428 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -22.458 -10.629 0.514 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -21.128 -10.733 3.876 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -22.689 -10.528 4.679 1.00 0.00 H new ATOM 1006 N ALA A 61 -17.638 -12.343 0.561 1.00 0.00 N ATOM 1007 CA ALA A 61 -16.382 -11.952 1.197 1.00 0.00 C ATOM 1008 C ALA A 61 -16.202 -10.443 1.106 1.00 0.00 C ATOM 1009 O ALA A 61 -15.658 -9.818 2.003 1.00 0.00 O ATOM 1010 CB ALA A 61 -15.166 -12.677 0.598 1.00 0.00 C ATOM 0 H ALA A 61 -17.549 -13.002 -0.212 1.00 0.00 H new ATOM 0 HA ALA A 61 -16.441 -12.250 2.244 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -14.260 -12.349 1.107 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.285 -13.753 0.725 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -15.090 -12.444 -0.464 1.00 0.00 H new ATOM 1016 N GLN A 62 -16.793 -9.804 0.102 1.00 0.00 N ATOM 1017 CA GLN A 62 -16.624 -8.374 -0.086 1.00 0.00 C ATOM 1018 C GLN A 62 -17.213 -7.535 1.057 1.00 0.00 C ATOM 1019 O GLN A 62 -16.846 -6.368 1.187 1.00 0.00 O ATOM 1020 CB GLN A 62 -17.203 -7.966 -1.460 1.00 0.00 C ATOM 1021 CG GLN A 62 -16.248 -7.207 -2.397 1.00 0.00 C ATOM 1022 CD GLN A 62 -15.053 -8.017 -2.905 1.00 0.00 C ATOM 1023 OE1 GLN A 62 -14.183 -7.478 -3.584 1.00 0.00 O ATOM 1024 NE2 GLN A 62 -14.968 -9.294 -2.560 1.00 0.00 N ATOM 0 H GLN A 62 -17.391 -10.255 -0.590 1.00 0.00 H new ATOM 0 HA GLN A 62 -15.555 -8.161 -0.068 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -17.541 -8.867 -1.971 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -18.083 -7.346 -1.291 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -16.816 -6.849 -3.256 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -15.874 -6.327 -1.873 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -15.703 -9.720 -1.995 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -14.167 -9.851 -2.859 1.00 0.00 H new ATOM 1033 N GLY A 63 -18.063 -8.116 1.913 1.00 0.00 N ATOM 1034 CA GLY A 63 -18.489 -7.486 3.160 1.00 0.00 C ATOM 1035 C GLY A 63 -17.299 -6.919 3.946 1.00 0.00 C ATOM 1036 O GLY A 63 -17.424 -5.918 4.647 1.00 0.00 O ATOM 0 H GLY A 63 -18.473 -9.037 1.756 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -19.195 -6.685 2.940 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.016 -8.216 3.775 1.00 0.00 H new ATOM 1040 N LEU A 64 -16.129 -7.543 3.787 1.00 0.00 N ATOM 1041 CA LEU A 64 -14.821 -7.042 4.181 1.00 0.00 C ATOM 1042 C LEU A 64 -14.663 -5.518 4.120 1.00 0.00 C ATOM 1043 O LEU A 64 -14.022 -4.941 5.002 1.00 0.00 O ATOM 1044 CB LEU A 64 -13.784 -7.682 3.253 1.00 0.00 C ATOM 1045 CG LEU A 64 -13.453 -9.127 3.638 1.00 0.00 C ATOM 1046 CD1 LEU A 64 -12.640 -9.813 2.530 1.00 0.00 C ATOM 1047 CD2 LEU A 64 -12.643 -9.110 4.912 1.00 0.00 C ATOM 0 H LEU A 64 -16.072 -8.465 3.354 1.00 0.00 H new ATOM 0 HA LEU A 64 -14.685 -7.307 5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -14.157 -7.660 2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.871 -7.088 3.272 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.381 -9.682 3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.416 -10.838 2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.218 -9.819 1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.709 -9.269 2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.398 -10.132 5.201 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.723 -8.548 4.751 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.222 -8.637 5.705 1.00 0.00 H new ATOM 1059 N GLY A 65 -15.147 -4.890 3.044 1.00 0.00 N ATOM 1060 CA GLY A 65 -15.185 -3.447 2.831 1.00 0.00 C ATOM 1061 C GLY A 65 -13.934 -2.704 3.312 1.00 0.00 C ATOM 1062 O GLY A 65 -12.973 -2.547 2.563 1.00 0.00 O ATOM 0 H GLY A 65 -15.543 -5.406 2.258 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.322 -3.252 1.767 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -16.055 -3.039 3.345 1.00 0.00 H new ATOM 1066 N SER A 66 -13.950 -2.233 4.562 1.00 0.00 N ATOM 1067 CA SER A 66 -12.859 -1.489 5.182 1.00 0.00 C ATOM 1068 C SER A 66 -11.524 -2.219 4.998 1.00 0.00 C ATOM 1069 O SER A 66 -10.522 -1.636 4.578 1.00 0.00 O ATOM 1070 CB SER A 66 -13.169 -1.290 6.674 1.00 0.00 C ATOM 1071 OG SER A 66 -12.301 -0.332 7.252 1.00 0.00 O ATOM 0 H SER A 66 -14.747 -2.364 5.185 1.00 0.00 H new ATOM 0 HA SER A 66 -12.770 -0.516 4.699 1.00 0.00 H new ATOM 0 HB2 SER A 66 -14.203 -0.967 6.794 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.069 -2.240 7.199 1.00 0.00 H new ATOM 0 HG SER A 66 -12.520 -0.223 8.201 1.00 0.00 H new ATOM 1077 N ASN A 67 -11.502 -3.505 5.349 1.00 0.00 N ATOM 1078 CA ASN A 67 -10.288 -4.304 5.260 1.00 0.00 C ATOM 1079 C ASN A 67 -9.989 -4.569 3.790 1.00 0.00 C ATOM 1080 O ASN A 67 -8.837 -4.442 3.371 1.00 0.00 O ATOM 1081 CB ASN A 67 -10.448 -5.627 6.026 1.00 0.00 C ATOM 1082 CG ASN A 67 -10.664 -5.426 7.524 1.00 0.00 C ATOM 1083 OD1 ASN A 67 -11.571 -5.999 8.119 1.00 0.00 O ATOM 1084 ND2 ASN A 67 -9.851 -4.600 8.174 1.00 0.00 N ATOM 0 H ASN A 67 -12.315 -4.013 5.698 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.459 -3.761 5.713 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -11.292 -6.180 5.614 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.560 -6.240 5.871 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.979 -4.440 9.173 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.099 -4.126 7.674 1.00 0.00 H new ATOM 1091 N LEU A 68 -11.036 -4.897 3.020 1.00 0.00 N ATOM 1092 CA LEU A 68 -10.971 -5.593 1.740 1.00 0.00 C ATOM 1093 C LEU A 68 -9.723 -5.237 0.956 1.00 0.00 C ATOM 1094 O LEU A 68 -9.484 -4.074 0.631 1.00 0.00 O ATOM 1095 CB LEU A 68 -12.179 -5.266 0.863 1.00 0.00 C ATOM 1096 CG LEU A 68 -12.102 -6.048 -0.460 1.00 0.00 C ATOM 1097 CD1 LEU A 68 -13.107 -7.182 -0.469 1.00 0.00 C ATOM 1098 CD2 LEU A 68 -12.296 -5.117 -1.653 1.00 0.00 C ATOM 0 H LEU A 68 -11.993 -4.671 3.291 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.957 -6.655 1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -13.099 -5.518 1.390 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -12.211 -4.196 0.660 1.00 0.00 H new ATOM 0 HG LEU A 68 -11.107 -6.486 -0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -13.037 -7.723 -1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -12.895 -7.862 0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -14.113 -6.778 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.237 -5.692 -2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.273 -4.638 -1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.517 -4.355 -1.650 1.00 0.00 H new ATOM 1110 N VAL A 69 -8.933 -6.258 0.674 1.00 0.00 N ATOM 1111 CA VAL A 69 -7.744 -6.197 -0.136 1.00 0.00 C ATOM 1112 C VAL A 69 -8.138 -5.995 -1.596 1.00 0.00 C ATOM 1113 O VAL A 69 -9.258 -6.265 -2.002 1.00 0.00 O ATOM 1114 CB VAL A 69 -6.939 -7.463 0.158 1.00 0.00 C ATOM 1115 CG1 VAL A 69 -5.822 -7.716 -0.854 1.00 0.00 C ATOM 1116 CG2 VAL A 69 -6.367 -7.280 1.573 1.00 0.00 C ATOM 0 H VAL A 69 -9.119 -7.197 1.025 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.102 -5.347 0.097 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.584 -8.338 0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.290 -8.629 -0.588 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.251 -7.823 -1.850 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.127 -6.876 -0.847 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.778 -8.156 1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.732 -6.394 1.597 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.185 -7.159 2.283 1.00 0.00 H new ATOM 1126 N THR A 70 -7.230 -5.393 -2.351 1.00 0.00 N ATOM 1127 CA THR A 70 -7.457 -4.924 -3.703 1.00 0.00 C ATOM 1128 C THR A 70 -6.124 -5.005 -4.444 1.00 0.00 C ATOM 1129 O THR A 70 -5.081 -5.249 -3.828 1.00 0.00 O ATOM 1130 CB THR A 70 -7.982 -3.479 -3.655 1.00 0.00 C ATOM 1131 OG1 THR A 70 -7.087 -2.681 -2.905 1.00 0.00 O ATOM 1132 CG2 THR A 70 -9.320 -3.363 -2.930 1.00 0.00 C ATOM 0 H THR A 70 -6.281 -5.213 -2.023 1.00 0.00 H new ATOM 0 HA THR A 70 -8.200 -5.531 -4.220 1.00 0.00 H new ATOM 0 HB THR A 70 -8.086 -3.160 -4.692 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.418 -1.759 -2.874 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.643 -2.322 -2.926 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.065 -3.972 -3.442 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.209 -3.712 -1.903 1.00 0.00 H new ATOM 1140 N GLU A 71 -6.136 -4.721 -5.740 1.00 0.00 N ATOM 1141 CA GLU A 71 -5.033 -5.010 -6.635 1.00 0.00 C ATOM 1142 C GLU A 71 -3.899 -4.070 -6.222 1.00 0.00 C ATOM 1143 O GLU A 71 -2.773 -4.478 -5.959 1.00 0.00 O ATOM 1144 CB GLU A 71 -5.495 -4.694 -8.064 1.00 0.00 C ATOM 1145 CG GLU A 71 -6.489 -5.762 -8.558 1.00 0.00 C ATOM 1146 CD GLU A 71 -7.837 -5.584 -7.881 1.00 0.00 C ATOM 1147 OE1 GLU A 71 -8.183 -4.410 -7.615 1.00 0.00 O ATOM 1148 OE2 GLU A 71 -8.523 -6.573 -7.580 1.00 0.00 O ATOM 0 H GLU A 71 -6.928 -4.276 -6.203 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.706 -6.049 -6.590 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.965 -3.711 -8.092 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.634 -4.654 -8.731 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.605 -5.687 -9.639 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.098 -6.757 -8.347 1.00 0.00 H new ATOM 1155 N VAL A 72 -4.236 -2.788 -6.083 1.00 0.00 N ATOM 1156 CA VAL A 72 -3.336 -1.766 -5.574 1.00 0.00 C ATOM 1157 C VAL A 72 -2.791 -2.125 -4.187 1.00 0.00 C ATOM 1158 O VAL A 72 -1.733 -1.639 -3.787 1.00 0.00 O ATOM 1159 CB VAL A 72 -4.064 -0.413 -5.552 1.00 0.00 C ATOM 1160 CG1 VAL A 72 -5.222 -0.382 -4.544 1.00 0.00 C ATOM 1161 CG2 VAL A 72 -3.089 0.726 -5.242 1.00 0.00 C ATOM 0 H VAL A 72 -5.159 -2.429 -6.327 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.475 -1.700 -6.239 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.484 -0.276 -6.548 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.701 0.597 -4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.951 -1.150 -4.803 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.837 -0.571 -3.542 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.628 1.674 -5.232 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.632 0.558 -4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.312 0.758 -6.006 1.00 0.00 H new ATOM 1171 N ARG A 73 -3.535 -2.904 -3.401 1.00 0.00 N ATOM 1172 CA ARG A 73 -3.080 -3.299 -2.084 1.00 0.00 C ATOM 1173 C ARG A 73 -1.869 -4.206 -2.254 1.00 0.00 C ATOM 1174 O ARG A 73 -0.803 -3.912 -1.717 1.00 0.00 O ATOM 1175 CB ARG A 73 -4.212 -3.962 -1.293 1.00 0.00 C ATOM 1176 CG ARG A 73 -4.240 -3.564 0.183 1.00 0.00 C ATOM 1177 CD ARG A 73 -4.706 -2.114 0.428 1.00 0.00 C ATOM 1178 NE ARG A 73 -6.058 -1.814 -0.078 1.00 0.00 N ATOM 1179 CZ ARG A 73 -7.203 -2.212 0.499 1.00 0.00 C ATOM 1180 NH1 ARG A 73 -7.174 -3.007 1.567 1.00 0.00 N ATOM 1181 NH2 ARG A 73 -8.358 -1.810 -0.020 1.00 0.00 N ATOM 0 H ARG A 73 -4.452 -3.269 -3.660 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.783 -2.427 -1.502 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.166 -3.699 -1.750 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.111 -5.045 -1.367 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.901 -4.244 0.721 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.242 -3.691 0.603 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.679 -1.913 1.499 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.996 -1.433 -0.042 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.129 -1.261 -0.932 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.280 -3.315 1.949 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.046 -3.307 2.003 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -8.365 -1.209 -0.844 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.238 -2.103 0.405 1.00 0.00 H new ATOM 1195 N VAL A 74 -2.034 -5.268 -3.043 1.00 0.00 N ATOM 1196 CA VAL A 74 -0.956 -6.182 -3.389 1.00 0.00 C ATOM 1197 C VAL A 74 0.195 -5.358 -3.965 1.00 0.00 C ATOM 1198 O VAL A 74 1.328 -5.425 -3.493 1.00 0.00 O ATOM 1199 CB VAL A 74 -1.486 -7.227 -4.390 1.00 0.00 C ATOM 1200 CG1 VAL A 74 -0.352 -8.031 -5.029 1.00 0.00 C ATOM 1201 CG2 VAL A 74 -2.462 -8.183 -3.694 1.00 0.00 C ATOM 0 H VAL A 74 -2.930 -5.516 -3.462 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.589 -6.723 -2.517 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.003 -6.684 -5.181 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.769 -8.756 -5.728 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.317 -7.356 -5.563 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.205 -8.555 -4.252 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.829 -8.916 -4.413 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.950 -8.697 -2.881 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.302 -7.617 -3.293 1.00 0.00 H new ATOM 1211 N TYR A 75 -0.114 -4.519 -4.953 1.00 0.00 N ATOM 1212 CA TYR A 75 0.878 -3.682 -5.594 1.00 0.00 C ATOM 1213 C TYR A 75 1.688 -2.912 -4.552 1.00 0.00 C ATOM 1214 O TYR A 75 2.914 -2.925 -4.598 1.00 0.00 O ATOM 1215 CB TYR A 75 0.220 -2.747 -6.614 1.00 0.00 C ATOM 1216 CG TYR A 75 1.159 -2.368 -7.737 1.00 0.00 C ATOM 1217 CD1 TYR A 75 1.282 -3.226 -8.844 1.00 0.00 C ATOM 1218 CD2 TYR A 75 2.037 -1.278 -7.594 1.00 0.00 C ATOM 1219 CE1 TYR A 75 2.290 -3.007 -9.794 1.00 0.00 C ATOM 1220 CE2 TYR A 75 3.026 -1.041 -8.563 1.00 0.00 C ATOM 1221 CZ TYR A 75 3.173 -1.927 -9.643 1.00 0.00 C ATOM 1222 OH TYR A 75 4.269 -1.844 -10.444 1.00 0.00 O ATOM 0 H TYR A 75 -1.057 -4.407 -5.324 1.00 0.00 H new ATOM 0 HA TYR A 75 1.573 -4.320 -6.140 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.663 -3.231 -7.030 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -0.121 -1.844 -6.108 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.600 -4.055 -8.963 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.951 -0.624 -6.739 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.387 -3.669 -10.642 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.672 -0.180 -8.478 1.00 0.00 H new ATOM 0 HH TYR A 75 4.780 -1.039 -10.217 1.00 0.00 H new ATOM 1232 N ASN A 76 1.021 -2.244 -3.605 1.00 0.00 N ATOM 1233 CA ASN A 76 1.722 -1.492 -2.571 1.00 0.00 C ATOM 1234 C ASN A 76 2.515 -2.396 -1.635 1.00 0.00 C ATOM 1235 O ASN A 76 3.612 -2.013 -1.247 1.00 0.00 O ATOM 1236 CB ASN A 76 0.840 -0.476 -1.829 1.00 0.00 C ATOM 1237 CG ASN A 76 0.158 -0.984 -0.559 1.00 0.00 C ATOM 1238 OD1 ASN A 76 0.789 -1.354 0.427 1.00 0.00 O ATOM 1239 ND2 ASN A 76 -1.164 -0.905 -0.530 1.00 0.00 N ATOM 0 H ASN A 76 0.004 -2.211 -3.537 1.00 0.00 H new ATOM 0 HA ASN A 76 2.452 -0.880 -3.101 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.454 0.386 -1.568 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.070 -0.123 -2.515 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.671 -1.153 0.319 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.675 -0.596 -1.357 1.00 0.00 H new ATOM 1246 N TRP A 77 2.000 -3.574 -1.279 1.00 0.00 N ATOM 1247 CA TRP A 77 2.735 -4.491 -0.416 1.00 0.00 C ATOM 1248 C TRP A 77 4.085 -4.813 -1.057 1.00 0.00 C ATOM 1249 O TRP A 77 5.125 -4.606 -0.434 1.00 0.00 O ATOM 1250 CB TRP A 77 1.906 -5.745 -0.079 1.00 0.00 C ATOM 1251 CG TRP A 77 2.515 -7.070 -0.418 1.00 0.00 C ATOM 1252 CD1 TRP A 77 2.316 -7.760 -1.562 1.00 0.00 C ATOM 1253 CD2 TRP A 77 3.442 -7.876 0.370 1.00 0.00 C ATOM 1254 NE1 TRP A 77 3.096 -8.890 -1.566 1.00 0.00 N ATOM 1255 CE2 TRP A 77 3.789 -9.031 -0.389 1.00 0.00 C ATOM 1256 CE3 TRP A 77 4.001 -7.769 1.662 1.00 0.00 C ATOM 1257 CZ2 TRP A 77 4.642 -10.023 0.098 1.00 0.00 C ATOM 1258 CZ3 TRP A 77 4.823 -8.787 2.180 1.00 0.00 C ATOM 1259 CH2 TRP A 77 5.173 -9.893 1.387 1.00 0.00 C ATOM 0 H TRP A 77 1.084 -3.911 -1.574 1.00 0.00 H new ATOM 0 HA TRP A 77 2.928 -4.012 0.544 1.00 0.00 H new ATOM 0 HB2 TRP A 77 1.692 -5.733 0.990 1.00 0.00 H new ATOM 0 HB3 TRP A 77 0.950 -5.669 -0.596 1.00 0.00 H new ATOM 0 HD1 TRP A 77 1.644 -7.467 -2.355 1.00 0.00 H new ATOM 0 HE1 TRP A 77 3.154 -9.544 -2.347 1.00 0.00 H new ATOM 0 HE3 TRP A 77 3.795 -6.894 2.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 4.889 -10.880 -0.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 5.187 -8.718 3.194 1.00 0.00 H new ATOM 0 HH2 TRP A 77 5.850 -10.641 1.771 1.00 0.00 H new ATOM 1270 N PHE A 78 4.073 -5.276 -2.308 1.00 0.00 N ATOM 1271 CA PHE A 78 5.296 -5.611 -3.022 1.00 0.00 C ATOM 1272 C PHE A 78 6.163 -4.369 -3.165 1.00 0.00 C ATOM 1273 O PHE A 78 7.344 -4.377 -2.831 1.00 0.00 O ATOM 1274 CB PHE A 78 4.974 -6.198 -4.399 1.00 0.00 C ATOM 1275 CG PHE A 78 4.566 -7.653 -4.355 1.00 0.00 C ATOM 1276 CD1 PHE A 78 5.525 -8.612 -3.974 1.00 0.00 C ATOM 1277 CD2 PHE A 78 3.303 -8.065 -4.809 1.00 0.00 C ATOM 1278 CE1 PHE A 78 5.198 -9.975 -3.986 1.00 0.00 C ATOM 1279 CE2 PHE A 78 2.987 -9.432 -4.825 1.00 0.00 C ATOM 1280 CZ PHE A 78 3.903 -10.377 -4.332 1.00 0.00 C ATOM 0 H PHE A 78 3.220 -5.427 -2.847 1.00 0.00 H new ATOM 0 HA PHE A 78 5.841 -6.363 -2.452 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.171 -5.618 -4.854 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.847 -6.093 -5.043 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.513 -8.297 -3.672 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.580 -7.335 -5.143 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.943 -10.713 -3.729 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.036 -9.759 -5.218 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.608 -11.410 -4.221 1.00 0.00 H new ATOM 1290 N ALA A 79 5.563 -3.288 -3.653 1.00 0.00 N ATOM 1291 CA ALA A 79 6.250 -2.032 -3.889 1.00 0.00 C ATOM 1292 C ALA A 79 6.857 -1.458 -2.600 1.00 0.00 C ATOM 1293 O ALA A 79 7.772 -0.641 -2.666 1.00 0.00 O ATOM 1294 CB ALA A 79 5.284 -1.061 -4.560 1.00 0.00 C ATOM 0 H ALA A 79 4.573 -3.264 -3.897 1.00 0.00 H new ATOM 0 HA ALA A 79 7.095 -2.204 -4.556 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.789 -0.113 -4.742 1.00 0.00 H new ATOM 0 HB2 ALA A 79 4.946 -1.480 -5.508 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.425 -0.895 -3.910 1.00 0.00 H new ATOM 1300 N ASN A 80 6.352 -1.865 -1.433 1.00 0.00 N ATOM 1301 CA ASN A 80 6.895 -1.488 -0.135 1.00 0.00 C ATOM 1302 C ASN A 80 7.966 -2.480 0.306 1.00 0.00 C ATOM 1303 O ASN A 80 9.021 -2.056 0.771 1.00 0.00 O ATOM 1304 CB ASN A 80 5.786 -1.379 0.925 1.00 0.00 C ATOM 1305 CG ASN A 80 4.961 -0.100 0.817 1.00 0.00 C ATOM 1306 OD1 ASN A 80 5.309 0.829 0.094 1.00 0.00 O ATOM 1307 ND2 ASN A 80 3.858 -0.004 1.551 1.00 0.00 N ATOM 0 H ASN A 80 5.539 -2.477 -1.367 1.00 0.00 H new ATOM 0 HA ASN A 80 7.354 -0.505 -0.237 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.122 -2.239 0.834 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.236 -1.428 1.916 1.00 0.00 H new ATOM 0 HD21 ASN A 80 3.294 0.845 1.516 1.00 0.00 H new ATOM 0 HD22 ASN A 80 3.575 -0.780 2.150 1.00 0.00 H new ATOM 1314 N ARG A 81 7.735 -3.788 0.155 1.00 0.00 N ATOM 1315 CA ARG A 81 8.746 -4.800 0.452 1.00 0.00 C ATOM 1316 C ARG A 81 10.028 -4.482 -0.305 1.00 0.00 C ATOM 1317 O ARG A 81 11.097 -4.479 0.294 1.00 0.00 O ATOM 1318 CB ARG A 81 8.270 -6.216 0.099 1.00 0.00 C ATOM 1319 CG ARG A 81 7.307 -6.827 1.124 1.00 0.00 C ATOM 1320 CD ARG A 81 7.978 -7.179 2.464 1.00 0.00 C ATOM 1321 NE ARG A 81 8.925 -8.301 2.341 1.00 0.00 N ATOM 1322 CZ ARG A 81 10.267 -8.256 2.325 1.00 0.00 C ATOM 1323 NH1 ARG A 81 10.933 -7.143 2.631 1.00 0.00 N ATOM 1324 NH2 ARG A 81 10.923 -9.355 1.974 1.00 0.00 N ATOM 0 H ARG A 81 6.848 -4.170 -0.174 1.00 0.00 H new ATOM 0 HA ARG A 81 8.931 -4.776 1.526 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.780 -6.191 -0.874 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.139 -6.866 0.001 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.492 -6.127 1.308 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.863 -7.728 0.701 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.504 -6.303 2.845 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.211 -7.433 3.195 1.00 0.00 H new ATOM 0 HE ARG A 81 8.509 -9.229 2.258 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.423 -6.297 2.886 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.953 -7.137 2.611 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.407 -10.200 1.727 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.943 -9.355 1.951 1.00 0.00 H new ATOM 1338 N ARG A 82 9.907 -4.147 -1.593 1.00 0.00 N ATOM 1339 CA ARG A 82 10.997 -3.614 -2.400 1.00 0.00 C ATOM 1340 C ARG A 82 11.852 -2.660 -1.570 1.00 0.00 C ATOM 1341 O ARG A 82 13.068 -2.801 -1.496 1.00 0.00 O ATOM 1342 CB ARG A 82 10.431 -2.830 -3.591 1.00 0.00 C ATOM 1343 CG ARG A 82 9.853 -3.724 -4.692 1.00 0.00 C ATOM 1344 CD ARG A 82 10.802 -3.744 -5.896 1.00 0.00 C ATOM 1345 NE ARG A 82 10.234 -4.479 -7.031 1.00 0.00 N ATOM 1346 CZ ARG A 82 10.824 -4.684 -8.217 1.00 0.00 C ATOM 1347 NH1 ARG A 82 12.054 -4.229 -8.459 1.00 0.00 N ATOM 1348 NH2 ARG A 82 10.135 -5.332 -9.152 1.00 0.00 N ATOM 0 H ARG A 82 9.032 -4.242 -2.108 1.00 0.00 H new ATOM 0 HA ARG A 82 11.602 -4.451 -2.749 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.652 -2.156 -3.235 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.220 -2.209 -4.015 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.710 -4.736 -4.314 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.873 -3.355 -4.996 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.023 -2.721 -6.201 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.748 -4.201 -5.605 1.00 0.00 H new ATOM 0 HE ARG A 82 9.301 -4.872 -6.906 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.560 -3.717 -7.736 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.489 -4.393 -9.367 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.188 -5.656 -8.955 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.554 -5.505 -10.066 1.00 0.00 H new