USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 717 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: B 51 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: B 55 GLN : amide:sc= -0.242 K(o=-0.24,f=0.34) USER MOD Set 2.1: A 21 GLN : amide:sc= 0.506 K(o=1,f=-0.47) USER MOD Set 2.2: A 35 TYR OH : rot 180:sc= 0.5 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -64:sc= 1.2 USER MOD Single : A 47 ASN : amide:sc= 0.705! C(o=0.71!,f=-8!) USER MOD Single : A 51 TYR OH : rot -177:sc= 1.26 USER MOD Single : A 55 GLN : amide:sc= 0.975 K(o=0.97,f=-1.8!) USER MOD Single : A 61 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.018) USER MOD Single : A 62 ASN : amide:sc= -1.42! K(o=-1.4!,f=-0.03) USER MOD Single : B 21 GLN : amide:sc= -5.35! C(o=-5.4!,f=-9.9!) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 THR OG1 : rot -72:sc= 1.21 USER MOD Single : B 35 TYR OH : rot 180:sc=-0.00149 USER MOD Single : B 47 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : B 61 LYS NZ :NH3+ 175:sc= 1.23 (180deg=1.15) USER MOD Single : B 62 ASN : amide:sc= -0.966! K(o=-0.97!,f=-0.17) USER MOD Single : B 64 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 297 N ASP A 19 27.868 5.201 4.597 1.00 0.00 N ATOM 298 CA ASP A 19 26.987 6.226 4.037 1.00 0.00 C ATOM 299 C ASP A 19 27.174 6.274 2.523 1.00 0.00 C ATOM 300 O ASP A 19 27.022 7.312 1.881 1.00 0.00 O ATOM 301 CB ASP A 19 27.300 7.592 4.670 1.00 0.00 C ATOM 302 CG ASP A 19 26.254 8.654 4.363 1.00 0.00 C ATOM 303 OD1 ASP A 19 25.130 8.568 4.906 1.00 0.00 O ATOM 304 OD2 ASP A 19 26.553 9.587 3.586 1.00 0.00 O ATOM 0 HA ASP A 19 25.948 5.981 4.258 1.00 0.00 H new ATOM 0 HB2 ASP A 19 27.381 7.474 5.751 1.00 0.00 H new ATOM 0 HB3 ASP A 19 28.271 7.935 4.314 1.00 0.00 H new ATOM 309 N VAL A 20 27.505 5.123 1.953 1.00 0.00 N ATOM 310 CA VAL A 20 27.754 5.022 0.523 1.00 0.00 C ATOM 311 C VAL A 20 26.440 4.923 -0.242 1.00 0.00 C ATOM 312 O VAL A 20 25.796 3.875 -0.264 1.00 0.00 O ATOM 313 CB VAL A 20 28.644 3.806 0.181 1.00 0.00 C ATOM 314 CG1 VAL A 20 28.988 3.787 -1.303 1.00 0.00 C ATOM 315 CG2 VAL A 20 29.911 3.810 1.025 1.00 0.00 C ATOM 0 H VAL A 20 27.607 4.245 2.461 1.00 0.00 H new ATOM 0 HA VAL A 20 28.283 5.927 0.223 1.00 0.00 H new ATOM 0 HB VAL A 20 28.082 2.901 0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 20 29.615 2.922 -1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 20 28.071 3.726 -1.888 1.00 0.00 H new ATOM 0 HG13 VAL A 20 29.525 4.699 -1.564 1.00 0.00 H new ATOM 0 HG21 VAL A 20 30.522 2.945 0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 20 30.474 4.723 0.832 1.00 0.00 H new ATOM 0 HG23 VAL A 20 29.645 3.765 2.081 1.00 0.00 H new ATOM 325 N GLN A 21 26.045 6.031 -0.844 1.00 0.00 N ATOM 326 CA GLN A 21 24.813 6.101 -1.614 1.00 0.00 C ATOM 327 C GLN A 21 25.123 6.020 -3.105 1.00 0.00 C ATOM 328 O GLN A 21 26.180 6.462 -3.552 1.00 0.00 O ATOM 329 CB GLN A 21 24.066 7.399 -1.278 1.00 0.00 C ATOM 330 CG GLN A 21 24.965 8.624 -1.263 1.00 0.00 C ATOM 331 CD GLN A 21 24.271 9.860 -0.732 1.00 0.00 C ATOM 332 OE1 GLN A 21 23.351 9.775 0.084 1.00 0.00 O ATOM 333 NE2 GLN A 21 24.728 11.018 -1.170 1.00 0.00 N ATOM 0 H GLN A 21 26.567 6.907 -0.814 1.00 0.00 H new ATOM 0 HA GLN A 21 24.174 5.257 -1.354 1.00 0.00 H new ATOM 0 HB2 GLN A 21 23.270 7.550 -2.007 1.00 0.00 H new ATOM 0 HB3 GLN A 21 23.590 7.294 -0.303 1.00 0.00 H new ATOM 0 HG2 GLN A 21 25.843 8.416 -0.652 1.00 0.00 H new ATOM 0 HG3 GLN A 21 25.320 8.820 -2.275 1.00 0.00 H new ATOM 0 HE21 GLN A 21 25.492 11.042 -1.846 1.00 0.00 H new ATOM 0 HE22 GLN A 21 24.318 11.889 -0.833 1.00 0.00 H new ATOM 342 N ILE A 22 24.219 5.427 -3.865 1.00 0.00 N ATOM 343 CA ILE A 22 24.396 5.311 -5.305 1.00 0.00 C ATOM 344 C ILE A 22 23.213 5.945 -6.025 1.00 0.00 C ATOM 345 O ILE A 22 22.118 6.032 -5.470 1.00 0.00 O ATOM 346 CB ILE A 22 24.539 3.834 -5.756 1.00 0.00 C ATOM 347 CG1 ILE A 22 25.708 3.154 -5.043 1.00 0.00 C ATOM 348 CG2 ILE A 22 24.738 3.742 -7.265 1.00 0.00 C ATOM 349 CD1 ILE A 22 25.986 1.762 -5.560 1.00 0.00 C ATOM 0 H ILE A 22 23.354 5.018 -3.511 1.00 0.00 H new ATOM 0 HA ILE A 22 25.318 5.833 -5.563 1.00 0.00 H new ATOM 0 HB ILE A 22 23.616 3.320 -5.489 1.00 0.00 H new ATOM 0 HG12 ILE A 22 26.603 3.765 -5.161 1.00 0.00 H new ATOM 0 HG13 ILE A 22 25.495 3.103 -3.975 1.00 0.00 H new ATOM 0 HG21 ILE A 22 24.836 2.696 -7.556 1.00 0.00 H new ATOM 0 HG22 ILE A 22 23.879 4.181 -7.773 1.00 0.00 H new ATOM 0 HG23 ILE A 22 25.642 4.283 -7.546 1.00 0.00 H new ATOM 0 HD11 ILE A 22 26.826 1.332 -5.015 1.00 0.00 H new ATOM 0 HD12 ILE A 22 25.104 1.138 -5.418 1.00 0.00 H new ATOM 0 HD13 ILE A 22 26.229 1.810 -6.622 1.00 0.00 H new ATOM 361 N ASP A 23 23.444 6.403 -7.247 1.00 0.00 N ATOM 362 CA ASP A 23 22.398 6.991 -8.061 1.00 0.00 C ATOM 363 C ASP A 23 21.490 5.899 -8.639 1.00 0.00 C ATOM 364 O ASP A 23 21.518 4.745 -8.203 1.00 0.00 O ATOM 365 CB ASP A 23 23.024 7.798 -9.201 1.00 0.00 C ATOM 366 CG ASP A 23 23.647 6.910 -10.258 1.00 0.00 C ATOM 367 OD1 ASP A 23 24.659 6.244 -9.958 1.00 0.00 O ATOM 368 OD2 ASP A 23 23.105 6.859 -11.381 1.00 0.00 O ATOM 0 H ASP A 23 24.359 6.376 -7.698 1.00 0.00 H new ATOM 0 HA ASP A 23 21.797 7.651 -7.435 1.00 0.00 H new ATOM 0 HB2 ASP A 23 22.261 8.426 -9.661 1.00 0.00 H new ATOM 0 HB3 ASP A 23 23.784 8.466 -8.796 1.00 0.00 H new ATOM 373 N PHE A 24 20.701 6.272 -9.633 1.00 0.00 N ATOM 374 CA PHE A 24 19.713 5.381 -10.215 1.00 0.00 C ATOM 375 C PHE A 24 20.345 4.383 -11.187 1.00 0.00 C ATOM 376 O PHE A 24 19.860 3.264 -11.332 1.00 0.00 O ATOM 377 CB PHE A 24 18.636 6.209 -10.926 1.00 0.00 C ATOM 378 CG PHE A 24 17.571 5.380 -11.583 1.00 0.00 C ATOM 379 CD1 PHE A 24 16.632 4.708 -10.822 1.00 0.00 C ATOM 380 CD2 PHE A 24 17.520 5.265 -12.962 1.00 0.00 C ATOM 381 CE1 PHE A 24 15.657 3.937 -11.423 1.00 0.00 C ATOM 382 CE2 PHE A 24 16.549 4.495 -13.570 1.00 0.00 C ATOM 383 CZ PHE A 24 15.617 3.829 -12.800 1.00 0.00 C ATOM 0 H PHE A 24 20.728 7.199 -10.058 1.00 0.00 H new ATOM 0 HA PHE A 24 19.262 4.802 -9.409 1.00 0.00 H new ATOM 0 HB2 PHE A 24 18.169 6.878 -10.203 1.00 0.00 H new ATOM 0 HB3 PHE A 24 19.112 6.837 -11.680 1.00 0.00 H new ATOM 0 HD1 PHE A 24 16.662 4.787 -9.745 1.00 0.00 H new ATOM 0 HD2 PHE A 24 18.248 5.783 -13.568 1.00 0.00 H new ATOM 0 HE1 PHE A 24 14.927 3.419 -10.818 1.00 0.00 H new ATOM 0 HE2 PHE A 24 16.519 4.414 -14.647 1.00 0.00 H new ATOM 0 HZ PHE A 24 14.857 3.224 -13.273 1.00 0.00 H new ATOM 393 N TYR A 25 21.434 4.774 -11.836 1.00 0.00 N ATOM 394 CA TYR A 25 22.028 3.938 -12.872 1.00 0.00 C ATOM 395 C TYR A 25 23.174 3.079 -12.340 1.00 0.00 C ATOM 396 O TYR A 25 23.683 2.208 -13.050 1.00 0.00 O ATOM 397 CB TYR A 25 22.485 4.790 -14.057 1.00 0.00 C ATOM 398 CG TYR A 25 21.336 5.267 -14.919 1.00 0.00 C ATOM 399 CD1 TYR A 25 20.832 4.462 -15.931 1.00 0.00 C ATOM 400 CD2 TYR A 25 20.750 6.510 -14.719 1.00 0.00 C ATOM 401 CE1 TYR A 25 19.781 4.883 -16.720 1.00 0.00 C ATOM 402 CE2 TYR A 25 19.695 6.939 -15.505 1.00 0.00 C ATOM 403 CZ TYR A 25 19.216 6.121 -16.504 1.00 0.00 C ATOM 404 OH TYR A 25 18.163 6.533 -17.288 1.00 0.00 O ATOM 0 H TYR A 25 21.920 5.655 -11.667 1.00 0.00 H new ATOM 0 HA TYR A 25 21.254 3.252 -13.215 1.00 0.00 H new ATOM 0 HB2 TYR A 25 23.036 5.654 -13.685 1.00 0.00 H new ATOM 0 HB3 TYR A 25 23.176 4.210 -14.670 1.00 0.00 H new ATOM 0 HD1 TYR A 25 21.270 3.490 -16.104 1.00 0.00 H new ATOM 0 HD2 TYR A 25 21.124 7.153 -13.936 1.00 0.00 H new ATOM 0 HE1 TYR A 25 19.403 4.244 -17.504 1.00 0.00 H new ATOM 0 HE2 TYR A 25 19.250 7.909 -15.336 1.00 0.00 H new ATOM 0 HH TYR A 25 17.878 7.428 -17.008 1.00 0.00 H new ATOM 414 N GLY A 26 23.573 3.309 -11.095 1.00 0.00 N ATOM 415 CA GLY A 26 24.554 2.450 -10.475 1.00 0.00 C ATOM 416 C GLY A 26 25.979 2.843 -10.799 1.00 0.00 C ATOM 417 O GLY A 26 26.769 2.011 -11.245 1.00 0.00 O ATOM 0 H GLY A 26 23.235 4.072 -10.509 1.00 0.00 H new ATOM 0 HA2 GLY A 26 24.415 2.471 -9.394 1.00 0.00 H new ATOM 0 HA3 GLY A 26 24.385 1.423 -10.798 1.00 0.00 H new ATOM 421 N ASP A 27 26.307 4.113 -10.602 1.00 0.00 N ATOM 422 CA ASP A 27 27.694 4.551 -10.678 1.00 0.00 C ATOM 423 C ASP A 27 28.275 4.548 -9.270 1.00 0.00 C ATOM 424 O ASP A 27 28.858 3.550 -8.838 1.00 0.00 O ATOM 425 CB ASP A 27 27.801 5.950 -11.305 1.00 0.00 C ATOM 426 CG ASP A 27 29.238 6.395 -11.527 1.00 0.00 C ATOM 427 OD1 ASP A 27 29.790 6.121 -12.613 1.00 0.00 O ATOM 428 OD2 ASP A 27 29.819 7.038 -10.627 1.00 0.00 O ATOM 0 H ASP A 27 25.637 4.853 -10.390 1.00 0.00 H new ATOM 0 HA ASP A 27 28.256 3.869 -11.316 1.00 0.00 H new ATOM 0 HB2 ASP A 27 27.274 5.956 -12.259 1.00 0.00 H new ATOM 0 HB3 ASP A 27 27.299 6.671 -10.659 1.00 0.00 H new ATOM 433 N GLU A 28 28.076 5.665 -8.570 1.00 0.00 N ATOM 434 CA GLU A 28 28.373 5.809 -7.145 1.00 0.00 C ATOM 435 C GLU A 28 28.299 7.286 -6.791 1.00 0.00 C ATOM 436 O GLU A 28 28.798 8.129 -7.536 1.00 0.00 O ATOM 437 CB GLU A 28 29.755 5.259 -6.766 1.00 0.00 C ATOM 438 CG GLU A 28 29.953 5.129 -5.263 1.00 0.00 C ATOM 439 CD GLU A 28 31.306 4.562 -4.889 1.00 0.00 C ATOM 440 OE1 GLU A 28 32.269 5.343 -4.763 1.00 0.00 O ATOM 441 OE2 GLU A 28 31.409 3.330 -4.709 1.00 0.00 O ATOM 0 H GLU A 28 27.695 6.514 -8.988 1.00 0.00 H new ATOM 0 HA GLU A 28 27.640 5.227 -6.586 1.00 0.00 H new ATOM 0 HB2 GLU A 28 29.891 4.282 -7.230 1.00 0.00 H new ATOM 0 HB3 GLU A 28 30.525 5.915 -7.173 1.00 0.00 H new ATOM 0 HG2 GLU A 28 29.836 6.109 -4.801 1.00 0.00 H new ATOM 0 HG3 GLU A 28 29.172 4.489 -4.854 1.00 0.00 H new ATOM 448 N VAL A 29 27.658 7.607 -5.680 1.00 0.00 N ATOM 449 CA VAL A 29 27.526 8.993 -5.264 1.00 0.00 C ATOM 450 C VAL A 29 28.261 9.233 -3.954 1.00 0.00 C ATOM 451 O VAL A 29 27.807 8.825 -2.883 1.00 0.00 O ATOM 452 CB VAL A 29 26.046 9.407 -5.109 1.00 0.00 C ATOM 453 CG1 VAL A 29 25.937 10.861 -4.673 1.00 0.00 C ATOM 454 CG2 VAL A 29 25.288 9.184 -6.407 1.00 0.00 C ATOM 0 H VAL A 29 27.223 6.931 -5.053 1.00 0.00 H new ATOM 0 HA VAL A 29 27.972 9.606 -6.048 1.00 0.00 H new ATOM 0 HB VAL A 29 25.598 8.782 -4.337 1.00 0.00 H new ATOM 0 HG11 VAL A 29 24.886 11.132 -4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 29 26.441 10.993 -3.716 1.00 0.00 H new ATOM 0 HG13 VAL A 29 26.405 11.501 -5.421 1.00 0.00 H new ATOM 0 HG21 VAL A 29 24.248 9.482 -6.277 1.00 0.00 H new ATOM 0 HG22 VAL A 29 25.740 9.781 -7.199 1.00 0.00 H new ATOM 0 HG23 VAL A 29 25.332 8.129 -6.678 1.00 0.00 H new ATOM 464 N THR A 30 29.408 9.877 -4.048 1.00 0.00 N ATOM 465 CA THR A 30 30.179 10.228 -2.872 1.00 0.00 C ATOM 466 C THR A 30 29.859 11.666 -2.469 1.00 0.00 C ATOM 467 O THR A 30 29.136 12.355 -3.187 1.00 0.00 O ATOM 468 CB THR A 30 31.693 10.073 -3.138 1.00 0.00 C ATOM 469 OG1 THR A 30 32.115 10.958 -4.185 1.00 0.00 O ATOM 470 CG2 THR A 30 32.033 8.639 -3.516 1.00 0.00 C ATOM 0 H THR A 30 29.828 10.169 -4.931 1.00 0.00 H new ATOM 0 HA THR A 30 29.910 9.552 -2.060 1.00 0.00 H new ATOM 0 HB THR A 30 32.220 10.330 -2.219 1.00 0.00 H new ATOM 0 HG1 THR A 30 31.672 10.708 -5.023 1.00 0.00 H new ATOM 0 HG21 THR A 30 33.104 8.555 -3.698 1.00 0.00 H new ATOM 0 HG22 THR A 30 31.750 7.971 -2.702 1.00 0.00 H new ATOM 0 HG23 THR A 30 31.488 8.362 -4.419 1.00 0.00 H new ATOM 478 N PRO A 31 30.380 12.152 -1.326 1.00 0.00 N ATOM 479 CA PRO A 31 30.209 13.555 -0.923 1.00 0.00 C ATOM 480 C PRO A 31 30.923 14.525 -1.868 1.00 0.00 C ATOM 481 O PRO A 31 30.958 15.730 -1.632 1.00 0.00 O ATOM 482 CB PRO A 31 30.832 13.611 0.476 1.00 0.00 C ATOM 483 CG PRO A 31 31.760 12.446 0.531 1.00 0.00 C ATOM 484 CD PRO A 31 31.134 11.379 -0.322 1.00 0.00 C ATOM 0 HA PRO A 31 29.162 13.856 -0.946 1.00 0.00 H new ATOM 0 HB2 PRO A 31 31.365 14.548 0.633 1.00 0.00 H new ATOM 0 HB3 PRO A 31 30.069 13.545 1.251 1.00 0.00 H new ATOM 0 HG2 PRO A 31 32.748 12.716 0.157 1.00 0.00 H new ATOM 0 HG3 PRO A 31 31.891 12.099 1.556 1.00 0.00 H new ATOM 0 HD2 PRO A 31 31.886 10.741 -0.786 1.00 0.00 H new ATOM 0 HD3 PRO A 31 30.481 10.729 0.260 1.00 0.00 H new ATOM 492 N VAL A 32 31.500 13.978 -2.933 1.00 0.00 N ATOM 493 CA VAL A 32 32.170 14.771 -3.951 1.00 0.00 C ATOM 494 C VAL A 32 31.283 14.889 -5.197 1.00 0.00 C ATOM 495 O VAL A 32 31.463 15.784 -6.024 1.00 0.00 O ATOM 496 CB VAL A 32 33.527 14.136 -4.338 1.00 0.00 C ATOM 497 CG1 VAL A 32 34.311 15.035 -5.283 1.00 0.00 C ATOM 498 CG2 VAL A 32 34.346 13.825 -3.092 1.00 0.00 C ATOM 0 H VAL A 32 31.515 12.974 -3.112 1.00 0.00 H new ATOM 0 HA VAL A 32 32.353 15.764 -3.542 1.00 0.00 H new ATOM 0 HB VAL A 32 33.321 13.203 -4.862 1.00 0.00 H new ATOM 0 HG11 VAL A 32 35.259 14.559 -5.535 1.00 0.00 H new ATOM 0 HG12 VAL A 32 33.734 15.198 -6.193 1.00 0.00 H new ATOM 0 HG13 VAL A 32 34.503 15.992 -4.799 1.00 0.00 H new ATOM 0 HG21 VAL A 32 35.297 13.379 -3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 32 34.531 14.746 -2.539 1.00 0.00 H new ATOM 0 HG23 VAL A 32 33.797 13.127 -2.460 1.00 0.00 H new ATOM 508 N ASP A 33 30.302 13.996 -5.303 1.00 0.00 N ATOM 509 CA ASP A 33 29.418 13.958 -6.467 1.00 0.00 C ATOM 510 C ASP A 33 28.152 14.761 -6.198 1.00 0.00 C ATOM 511 O ASP A 33 27.410 14.457 -5.265 1.00 0.00 O ATOM 512 CB ASP A 33 29.021 12.513 -6.811 1.00 0.00 C ATOM 513 CG ASP A 33 30.195 11.628 -7.189 1.00 0.00 C ATOM 514 OD1 ASP A 33 30.633 11.676 -8.359 1.00 0.00 O ATOM 515 OD2 ASP A 33 30.670 10.859 -6.320 1.00 0.00 O ATOM 0 H ASP A 33 30.098 13.288 -4.597 1.00 0.00 H new ATOM 0 HA ASP A 33 29.961 14.391 -7.307 1.00 0.00 H new ATOM 0 HB2 ASP A 33 28.508 12.074 -5.956 1.00 0.00 H new ATOM 0 HB3 ASP A 33 28.309 12.528 -7.636 1.00 0.00 H new ATOM 520 N ASP A 34 27.907 15.788 -7.005 1.00 0.00 N ATOM 521 CA ASP A 34 26.689 16.582 -6.867 1.00 0.00 C ATOM 522 C ASP A 34 25.517 15.779 -7.400 1.00 0.00 C ATOM 523 O ASP A 34 25.634 15.113 -8.433 1.00 0.00 O ATOM 524 CB ASP A 34 26.799 17.906 -7.629 1.00 0.00 C ATOM 525 CG ASP A 34 26.085 19.048 -6.925 1.00 0.00 C ATOM 526 OD1 ASP A 34 26.476 19.390 -5.782 1.00 0.00 O ATOM 527 OD2 ASP A 34 25.138 19.612 -7.513 1.00 0.00 O ATOM 0 H ASP A 34 28.529 16.089 -7.755 1.00 0.00 H new ATOM 0 HA ASP A 34 26.540 16.815 -5.813 1.00 0.00 H new ATOM 0 HB2 ASP A 34 27.851 18.162 -7.754 1.00 0.00 H new ATOM 0 HB3 ASP A 34 26.380 17.782 -8.628 1.00 0.00 H new ATOM 532 N TYR A 35 24.393 15.825 -6.711 1.00 0.00 N ATOM 533 CA TYR A 35 23.266 14.986 -7.071 1.00 0.00 C ATOM 534 C TYR A 35 21.960 15.583 -6.579 1.00 0.00 C ATOM 535 O TYR A 35 21.947 16.492 -5.752 1.00 0.00 O ATOM 536 CB TYR A 35 23.447 13.581 -6.486 1.00 0.00 C ATOM 537 CG TYR A 35 23.361 13.534 -4.974 1.00 0.00 C ATOM 538 CD1 TYR A 35 24.402 13.999 -4.182 1.00 0.00 C ATOM 539 CD2 TYR A 35 22.230 13.030 -4.343 1.00 0.00 C ATOM 540 CE1 TYR A 35 24.321 13.962 -2.805 1.00 0.00 C ATOM 541 CE2 TYR A 35 22.142 12.991 -2.967 1.00 0.00 C ATOM 542 CZ TYR A 35 23.189 13.459 -2.202 1.00 0.00 C ATOM 543 OH TYR A 35 23.107 13.424 -0.829 1.00 0.00 O ATOM 0 H TYR A 35 24.236 16.430 -5.905 1.00 0.00 H new ATOM 0 HA TYR A 35 23.226 14.923 -8.158 1.00 0.00 H new ATOM 0 HB2 TYR A 35 22.686 12.922 -6.905 1.00 0.00 H new ATOM 0 HB3 TYR A 35 24.415 13.189 -6.798 1.00 0.00 H new ATOM 0 HD1 TYR A 35 25.290 14.396 -4.651 1.00 0.00 H new ATOM 0 HD2 TYR A 35 21.407 12.663 -4.939 1.00 0.00 H new ATOM 0 HE1 TYR A 35 25.141 14.325 -2.203 1.00 0.00 H new ATOM 0 HE2 TYR A 35 21.257 12.596 -2.491 1.00 0.00 H new ATOM 0 HH TYR A 35 22.245 13.042 -0.562 1.00 0.00 H new ATOM 553 N VAL A 36 20.868 15.054 -7.092 1.00 0.00 N ATOM 554 CA VAL A 36 19.536 15.471 -6.694 1.00 0.00 C ATOM 555 C VAL A 36 18.685 14.229 -6.479 1.00 0.00 C ATOM 556 O VAL A 36 18.881 13.220 -7.155 1.00 0.00 O ATOM 557 CB VAL A 36 18.895 16.387 -7.766 1.00 0.00 C ATOM 558 CG1 VAL A 36 17.446 16.710 -7.450 1.00 0.00 C ATOM 559 CG2 VAL A 36 19.687 17.672 -7.915 1.00 0.00 C ATOM 0 H VAL A 36 20.878 14.320 -7.800 1.00 0.00 H new ATOM 0 HA VAL A 36 19.598 16.045 -5.770 1.00 0.00 H new ATOM 0 HB VAL A 36 18.917 15.837 -8.707 1.00 0.00 H new ATOM 0 HG11 VAL A 36 17.039 17.354 -8.229 1.00 0.00 H new ATOM 0 HG12 VAL A 36 16.869 15.786 -7.405 1.00 0.00 H new ATOM 0 HG13 VAL A 36 17.388 17.221 -6.489 1.00 0.00 H new ATOM 0 HG21 VAL A 36 19.220 18.301 -8.673 1.00 0.00 H new ATOM 0 HG22 VAL A 36 19.703 18.202 -6.963 1.00 0.00 H new ATOM 0 HG23 VAL A 36 20.708 17.437 -8.217 1.00 0.00 H new ATOM 569 N ILE A 37 17.774 14.282 -5.524 1.00 0.00 N ATOM 570 CA ILE A 37 16.952 13.126 -5.221 1.00 0.00 C ATOM 571 C ILE A 37 15.552 13.293 -5.793 1.00 0.00 C ATOM 572 O ILE A 37 14.826 14.258 -5.482 1.00 0.00 O ATOM 573 CB ILE A 37 16.921 12.823 -3.705 1.00 0.00 C ATOM 574 CG1 ILE A 37 18.358 12.750 -3.168 1.00 0.00 C ATOM 575 CG2 ILE A 37 16.199 11.509 -3.441 1.00 0.00 C ATOM 576 CD1 ILE A 37 18.463 12.326 -1.716 1.00 0.00 C ATOM 0 H ILE A 37 17.586 15.104 -4.951 1.00 0.00 H new ATOM 0 HA ILE A 37 17.407 12.260 -5.703 1.00 0.00 H new ATOM 0 HB ILE A 37 16.383 13.622 -3.194 1.00 0.00 H new ATOM 0 HG12 ILE A 37 18.927 12.050 -3.780 1.00 0.00 H new ATOM 0 HG13 ILE A 37 18.826 13.728 -3.283 1.00 0.00 H new ATOM 0 HG21 ILE A 37 16.186 11.310 -2.369 1.00 0.00 H new ATOM 0 HG22 ILE A 37 15.176 11.576 -3.810 1.00 0.00 H new ATOM 0 HG23 ILE A 37 16.718 10.699 -3.954 1.00 0.00 H new ATOM 0 HD11 ILE A 37 19.512 12.301 -1.419 1.00 0.00 H new ATOM 0 HD12 ILE A 37 17.925 13.038 -1.089 1.00 0.00 H new ATOM 0 HD13 ILE A 37 18.028 11.334 -1.594 1.00 0.00 H new ATOM 588 N ASP A 38 15.217 12.347 -6.667 1.00 0.00 N ATOM 589 CA ASP A 38 13.959 12.338 -7.393 1.00 0.00 C ATOM 590 C ASP A 38 13.043 11.270 -6.814 1.00 0.00 C ATOM 591 O ASP A 38 13.112 10.097 -7.187 1.00 0.00 O ATOM 592 CB ASP A 38 14.212 12.052 -8.883 1.00 0.00 C ATOM 593 CG ASP A 38 12.987 12.220 -9.763 1.00 0.00 C ATOM 594 OD1 ASP A 38 11.889 11.804 -9.353 1.00 0.00 O ATOM 595 OD2 ASP A 38 13.122 12.775 -10.874 1.00 0.00 O ATOM 0 H ASP A 38 15.822 11.557 -6.891 1.00 0.00 H new ATOM 0 HA ASP A 38 13.484 13.314 -7.295 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.998 12.717 -9.241 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.585 11.033 -8.988 1.00 0.00 H new ATOM 600 N GLY A 39 12.253 11.669 -5.841 1.00 0.00 N ATOM 601 CA GLY A 39 11.208 10.805 -5.322 1.00 0.00 C ATOM 602 C GLY A 39 11.732 9.739 -4.384 1.00 0.00 C ATOM 603 O GLY A 39 11.068 8.735 -4.145 1.00 0.00 O ATOM 0 H GLY A 39 12.312 12.583 -5.392 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.470 11.412 -4.797 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.693 10.327 -6.155 1.00 0.00 H new ATOM 607 N GLY A 40 12.916 9.956 -3.839 1.00 0.00 N ATOM 608 CA GLY A 40 13.507 8.979 -2.950 1.00 0.00 C ATOM 609 C GLY A 40 14.646 8.239 -3.609 1.00 0.00 C ATOM 610 O GLY A 40 15.435 7.572 -2.942 1.00 0.00 O ATOM 0 H GLY A 40 13.480 10.791 -3.996 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.869 9.478 -2.051 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.745 8.267 -2.634 1.00 0.00 H new ATOM 614 N GLU A 41 14.727 8.350 -4.926 1.00 0.00 N ATOM 615 CA GLU A 41 15.815 7.746 -5.671 1.00 0.00 C ATOM 616 C GLU A 41 16.879 8.791 -5.976 1.00 0.00 C ATOM 617 O GLU A 41 16.563 9.932 -6.305 1.00 0.00 O ATOM 618 CB GLU A 41 15.298 7.114 -6.963 1.00 0.00 C ATOM 619 CG GLU A 41 14.248 6.040 -6.728 1.00 0.00 C ATOM 620 CD GLU A 41 13.972 5.214 -7.964 1.00 0.00 C ATOM 621 OE1 GLU A 41 14.656 4.189 -8.162 1.00 0.00 O ATOM 622 OE2 GLU A 41 13.068 5.579 -8.743 1.00 0.00 O ATOM 0 H GLU A 41 14.050 8.854 -5.499 1.00 0.00 H new ATOM 0 HA GLU A 41 16.260 6.958 -5.063 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.875 7.893 -7.597 1.00 0.00 H new ATOM 0 HB3 GLU A 41 16.136 6.680 -7.508 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.579 5.383 -5.924 1.00 0.00 H new ATOM 0 HG3 GLU A 41 13.322 6.509 -6.395 1.00 0.00 H new ATOM 629 N ILE A 42 18.134 8.398 -5.853 1.00 0.00 N ATOM 630 CA ILE A 42 19.249 9.308 -6.054 1.00 0.00 C ATOM 631 C ILE A 42 19.668 9.322 -7.514 1.00 0.00 C ATOM 632 O ILE A 42 19.673 8.286 -8.163 1.00 0.00 O ATOM 633 CB ILE A 42 20.453 8.893 -5.181 1.00 0.00 C ATOM 634 CG1 ILE A 42 20.058 8.931 -3.707 1.00 0.00 C ATOM 635 CG2 ILE A 42 21.652 9.799 -5.438 1.00 0.00 C ATOM 636 CD1 ILE A 42 21.115 8.389 -2.774 1.00 0.00 C ATOM 0 H ILE A 42 18.409 7.446 -5.613 1.00 0.00 H new ATOM 0 HA ILE A 42 18.924 10.307 -5.764 1.00 0.00 H new ATOM 0 HB ILE A 42 20.742 7.876 -5.446 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.835 9.961 -3.428 1.00 0.00 H new ATOM 0 HG13 ILE A 42 19.141 8.358 -3.572 1.00 0.00 H new ATOM 0 HG21 ILE A 42 22.486 9.485 -4.811 1.00 0.00 H new ATOM 0 HG22 ILE A 42 21.941 9.731 -6.487 1.00 0.00 H new ATOM 0 HG23 ILE A 42 21.387 10.829 -5.201 1.00 0.00 H new ATOM 0 HD11 ILE A 42 20.759 8.450 -1.746 1.00 0.00 H new ATOM 0 HD12 ILE A 42 21.323 7.349 -3.025 1.00 0.00 H new ATOM 0 HD13 ILE A 42 22.027 8.976 -2.878 1.00 0.00 H new ATOM 648 N ILE A 43 19.973 10.498 -8.042 1.00 0.00 N ATOM 649 CA ILE A 43 20.518 10.603 -9.386 1.00 0.00 C ATOM 650 C ILE A 43 21.614 11.655 -9.404 1.00 0.00 C ATOM 651 O ILE A 43 21.409 12.782 -8.945 1.00 0.00 O ATOM 652 CB ILE A 43 19.456 10.971 -10.458 1.00 0.00 C ATOM 653 CG1 ILE A 43 18.100 10.326 -10.168 1.00 0.00 C ATOM 654 CG2 ILE A 43 19.931 10.543 -11.835 1.00 0.00 C ATOM 655 CD1 ILE A 43 17.253 11.117 -9.202 1.00 0.00 C ATOM 0 H ILE A 43 19.853 11.390 -7.562 1.00 0.00 H new ATOM 0 HA ILE A 43 20.906 9.617 -9.642 1.00 0.00 H new ATOM 0 HB ILE A 43 19.329 12.053 -10.427 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.555 10.208 -11.104 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.261 9.326 -9.764 1.00 0.00 H new ATOM 0 HG21 ILE A 43 19.178 10.806 -12.578 1.00 0.00 H new ATOM 0 HG22 ILE A 43 20.867 11.050 -12.071 1.00 0.00 H new ATOM 0 HG23 ILE A 43 20.090 9.465 -11.846 1.00 0.00 H new ATOM 0 HD11 ILE A 43 16.306 10.602 -9.042 1.00 0.00 H new ATOM 0 HD12 ILE A 43 17.779 11.213 -8.252 1.00 0.00 H new ATOM 0 HD13 ILE A 43 17.062 12.108 -9.613 1.00 0.00 H new ATOM 667 N LEU A 44 22.781 11.279 -9.909 1.00 0.00 N ATOM 668 CA LEU A 44 23.901 12.201 -10.016 1.00 0.00 C ATOM 669 C LEU A 44 23.523 13.340 -10.960 1.00 0.00 C ATOM 670 O LEU A 44 22.746 13.148 -11.891 1.00 0.00 O ATOM 671 CB LEU A 44 25.145 11.451 -10.514 1.00 0.00 C ATOM 672 CG LEU A 44 26.502 12.057 -10.129 1.00 0.00 C ATOM 673 CD1 LEU A 44 27.572 10.978 -10.125 1.00 0.00 C ATOM 674 CD2 LEU A 44 26.899 13.169 -11.088 1.00 0.00 C ATOM 0 H LEU A 44 22.976 10.338 -10.252 1.00 0.00 H new ATOM 0 HA LEU A 44 24.134 12.624 -9.039 1.00 0.00 H new ATOM 0 HB2 LEU A 44 25.105 10.431 -10.133 1.00 0.00 H new ATOM 0 HB3 LEU A 44 25.094 11.387 -11.601 1.00 0.00 H new ATOM 0 HG LEU A 44 26.410 12.482 -9.130 1.00 0.00 H new ATOM 0 HD11 LEU A 44 28.531 11.418 -9.851 1.00 0.00 H new ATOM 0 HD12 LEU A 44 27.307 10.206 -9.403 1.00 0.00 H new ATOM 0 HD13 LEU A 44 27.646 10.536 -11.118 1.00 0.00 H new ATOM 0 HD21 LEU A 44 27.864 13.579 -10.790 1.00 0.00 H new ATOM 0 HD22 LEU A 44 26.971 12.769 -12.099 1.00 0.00 H new ATOM 0 HD23 LEU A 44 26.147 13.957 -11.063 1.00 0.00 H new ATOM 686 N ARG A 45 24.067 14.524 -10.712 1.00 0.00 N ATOM 687 CA ARG A 45 23.690 15.730 -11.454 1.00 0.00 C ATOM 688 C ARG A 45 23.993 15.643 -12.955 1.00 0.00 C ATOM 689 O ARG A 45 23.597 16.525 -13.718 1.00 0.00 O ATOM 690 CB ARG A 45 24.377 16.955 -10.837 1.00 0.00 C ATOM 691 CG ARG A 45 23.482 17.741 -9.891 1.00 0.00 C ATOM 692 CD ARG A 45 22.284 18.319 -10.628 1.00 0.00 C ATOM 693 NE ARG A 45 22.698 19.189 -11.727 1.00 0.00 N ATOM 694 CZ ARG A 45 22.005 19.379 -12.849 1.00 0.00 C ATOM 695 NH1 ARG A 45 20.845 18.759 -13.038 1.00 0.00 N ATOM 696 NH2 ARG A 45 22.477 20.197 -13.781 1.00 0.00 N ATOM 0 H ARG A 45 24.777 14.680 -9.997 1.00 0.00 H new ATOM 0 HA ARG A 45 22.608 15.827 -11.370 1.00 0.00 H new ATOM 0 HB2 ARG A 45 25.266 16.629 -10.297 1.00 0.00 H new ATOM 0 HB3 ARG A 45 24.714 17.614 -11.637 1.00 0.00 H new ATOM 0 HG2 ARG A 45 23.139 17.092 -9.085 1.00 0.00 H new ATOM 0 HG3 ARG A 45 24.053 18.547 -9.430 1.00 0.00 H new ATOM 0 HD2 ARG A 45 21.669 17.507 -11.017 1.00 0.00 H new ATOM 0 HD3 ARG A 45 21.664 18.882 -9.931 1.00 0.00 H new ATOM 0 HE ARG A 45 23.582 19.687 -11.628 1.00 0.00 H new ATOM 0 HH11 ARG A 45 20.479 18.132 -12.321 1.00 0.00 H new ATOM 0 HH12 ARG A 45 20.321 18.910 -13.900 1.00 0.00 H new ATOM 0 HH21 ARG A 45 23.366 20.676 -13.636 1.00 0.00 H new ATOM 0 HH22 ARG A 45 21.951 20.347 -14.642 1.00 0.00 H new ATOM 710 N GLU A 46 24.675 14.593 -13.386 1.00 0.00 N ATOM 711 CA GLU A 46 24.921 14.393 -14.808 1.00 0.00 C ATOM 712 C GLU A 46 23.751 13.662 -15.461 1.00 0.00 C ATOM 713 O GLU A 46 23.154 14.150 -16.418 1.00 0.00 O ATOM 714 CB GLU A 46 26.219 13.619 -15.038 1.00 0.00 C ATOM 715 CG GLU A 46 26.502 13.354 -16.506 1.00 0.00 C ATOM 716 CD GLU A 46 27.907 12.856 -16.750 1.00 0.00 C ATOM 717 OE1 GLU A 46 28.141 11.633 -16.640 1.00 0.00 O ATOM 718 OE2 GLU A 46 28.779 13.688 -17.070 1.00 0.00 O ATOM 0 H GLU A 46 25.065 13.872 -12.779 1.00 0.00 H new ATOM 0 HA GLU A 46 25.021 15.376 -15.269 1.00 0.00 H new ATOM 0 HB2 GLU A 46 27.050 14.179 -14.609 1.00 0.00 H new ATOM 0 HB3 GLU A 46 26.167 12.669 -14.507 1.00 0.00 H new ATOM 0 HG2 GLU A 46 25.790 12.619 -16.882 1.00 0.00 H new ATOM 0 HG3 GLU A 46 26.343 14.271 -17.073 1.00 0.00 H new ATOM 725 N ASN A 47 23.414 12.501 -14.920 1.00 0.00 N ATOM 726 CA ASN A 47 22.359 11.666 -15.484 1.00 0.00 C ATOM 727 C ASN A 47 20.998 12.014 -14.888 1.00 0.00 C ATOM 728 O ASN A 47 19.987 11.387 -15.207 1.00 0.00 O ATOM 729 CB ASN A 47 22.679 10.176 -15.288 1.00 0.00 C ATOM 730 CG ASN A 47 22.956 9.787 -13.844 1.00 0.00 C ATOM 731 OD1 ASN A 47 23.400 10.597 -13.034 1.00 0.00 O ATOM 732 ND2 ASN A 47 22.718 8.528 -13.524 1.00 0.00 N ATOM 0 H ASN A 47 23.857 12.113 -14.087 1.00 0.00 H new ATOM 0 HA ASN A 47 22.312 11.866 -16.554 1.00 0.00 H new ATOM 0 HB2 ASN A 47 21.843 9.584 -15.659 1.00 0.00 H new ATOM 0 HB3 ASN A 47 23.546 9.918 -15.896 1.00 0.00 H new ATOM 0 HD21 ASN A 47 22.903 8.199 -12.576 1.00 0.00 H new ATOM 0 HD22 ASN A 47 22.349 7.885 -14.224 1.00 0.00 H new ATOM 739 N LEU A 48 20.980 13.037 -14.039 1.00 0.00 N ATOM 740 CA LEU A 48 19.743 13.534 -13.437 1.00 0.00 C ATOM 741 C LEU A 48 18.777 14.031 -14.506 1.00 0.00 C ATOM 742 O LEU A 48 17.558 13.933 -14.351 1.00 0.00 O ATOM 743 CB LEU A 48 20.046 14.677 -12.465 1.00 0.00 C ATOM 744 CG LEU A 48 18.817 15.300 -11.805 1.00 0.00 C ATOM 745 CD1 LEU A 48 18.207 14.346 -10.793 1.00 0.00 C ATOM 746 CD2 LEU A 48 19.179 16.617 -11.151 1.00 0.00 C ATOM 0 H LEU A 48 21.816 13.544 -13.749 1.00 0.00 H new ATOM 0 HA LEU A 48 19.281 12.707 -12.898 1.00 0.00 H new ATOM 0 HB2 LEU A 48 20.711 14.305 -11.685 1.00 0.00 H new ATOM 0 HB3 LEU A 48 20.588 15.457 -13.001 1.00 0.00 H new ATOM 0 HG LEU A 48 18.073 15.493 -12.578 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.333 14.811 -10.336 1.00 0.00 H new ATOM 0 HD12 LEU A 48 17.908 13.426 -11.295 1.00 0.00 H new ATOM 0 HD13 LEU A 48 18.941 14.116 -10.021 1.00 0.00 H new ATOM 0 HD21 LEU A 48 18.293 17.048 -10.685 1.00 0.00 H new ATOM 0 HD22 LEU A 48 19.942 16.448 -10.391 1.00 0.00 H new ATOM 0 HD23 LEU A 48 19.563 17.304 -11.905 1.00 0.00 H new ATOM 758 N GLU A 49 19.347 14.567 -15.581 1.00 0.00 N ATOM 759 CA GLU A 49 18.578 15.117 -16.697 1.00 0.00 C ATOM 760 C GLU A 49 17.417 14.208 -17.106 1.00 0.00 C ATOM 761 O GLU A 49 16.267 14.638 -17.144 1.00 0.00 O ATOM 762 CB GLU A 49 19.489 15.331 -17.905 1.00 0.00 C ATOM 763 CG GLU A 49 18.747 15.807 -19.143 1.00 0.00 C ATOM 764 CD GLU A 49 19.547 15.616 -20.413 1.00 0.00 C ATOM 765 OE1 GLU A 49 19.580 14.480 -20.932 1.00 0.00 O ATOM 766 OE2 GLU A 49 20.125 16.600 -20.912 1.00 0.00 O ATOM 0 H GLU A 49 20.357 14.633 -15.705 1.00 0.00 H new ATOM 0 HA GLU A 49 18.162 16.067 -16.360 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.256 16.061 -17.647 1.00 0.00 H new ATOM 0 HB3 GLU A 49 20.002 14.397 -18.134 1.00 0.00 H new ATOM 0 HG2 GLU A 49 17.805 15.266 -19.227 1.00 0.00 H new ATOM 0 HG3 GLU A 49 18.499 16.862 -19.030 1.00 0.00 H new ATOM 773 N ARG A 50 17.724 12.949 -17.392 1.00 0.00 N ATOM 774 CA ARG A 50 16.737 12.032 -17.944 1.00 0.00 C ATOM 775 C ARG A 50 15.651 11.684 -16.926 1.00 0.00 C ATOM 776 O ARG A 50 14.494 11.493 -17.293 1.00 0.00 O ATOM 777 CB ARG A 50 17.417 10.757 -18.444 1.00 0.00 C ATOM 778 CG ARG A 50 16.473 9.793 -19.146 1.00 0.00 C ATOM 779 CD ARG A 50 16.739 9.725 -20.644 1.00 0.00 C ATOM 780 NE ARG A 50 16.327 10.935 -21.370 1.00 0.00 N ATOM 781 CZ ARG A 50 17.021 11.455 -22.384 1.00 0.00 C ATOM 782 NH1 ARG A 50 18.220 10.976 -22.684 1.00 0.00 N ATOM 783 NH2 ARG A 50 16.514 12.445 -23.108 1.00 0.00 N ATOM 0 H ARG A 50 18.648 12.541 -17.251 1.00 0.00 H new ATOM 0 HA ARG A 50 16.256 12.536 -18.782 1.00 0.00 H new ATOM 0 HB2 ARG A 50 18.219 11.029 -19.130 1.00 0.00 H new ATOM 0 HB3 ARG A 50 17.879 10.247 -17.599 1.00 0.00 H new ATOM 0 HG2 ARG A 50 16.582 8.799 -18.713 1.00 0.00 H new ATOM 0 HG3 ARG A 50 15.443 10.105 -18.974 1.00 0.00 H new ATOM 0 HD2 ARG A 50 17.803 9.557 -20.808 1.00 0.00 H new ATOM 0 HD3 ARG A 50 16.213 8.865 -21.059 1.00 0.00 H new ATOM 0 HE ARG A 50 15.466 11.401 -21.084 1.00 0.00 H new ATOM 0 HH11 ARG A 50 18.614 10.209 -22.139 1.00 0.00 H new ATOM 0 HH12 ARG A 50 18.749 11.375 -23.460 1.00 0.00 H new ATOM 0 HH21 ARG A 50 15.588 12.813 -22.891 1.00 0.00 H new ATOM 0 HH22 ARG A 50 17.050 12.838 -23.882 1.00 0.00 H new ATOM 797 N TYR A 51 16.003 11.624 -15.647 1.00 0.00 N ATOM 798 CA TYR A 51 15.027 11.225 -14.643 1.00 0.00 C ATOM 799 C TYR A 51 14.058 12.365 -14.350 1.00 0.00 C ATOM 800 O TYR A 51 12.853 12.141 -14.203 1.00 0.00 O ATOM 801 CB TYR A 51 15.690 10.732 -13.358 1.00 0.00 C ATOM 802 CG TYR A 51 14.980 9.525 -12.779 1.00 0.00 C ATOM 803 CD1 TYR A 51 13.911 8.950 -13.456 1.00 0.00 C ATOM 804 CD2 TYR A 51 15.374 8.954 -11.577 1.00 0.00 C ATOM 805 CE1 TYR A 51 13.256 7.846 -12.955 1.00 0.00 C ATOM 806 CE2 TYR A 51 14.725 7.843 -11.068 1.00 0.00 C ATOM 807 CZ TYR A 51 13.665 7.294 -11.763 1.00 0.00 C ATOM 808 OH TYR A 51 13.017 6.185 -11.272 1.00 0.00 O ATOM 0 H TYR A 51 16.933 11.841 -15.288 1.00 0.00 H new ATOM 0 HA TYR A 51 14.465 10.387 -15.055 1.00 0.00 H new ATOM 0 HB2 TYR A 51 16.730 10.477 -13.561 1.00 0.00 H new ATOM 0 HB3 TYR A 51 15.697 11.536 -12.622 1.00 0.00 H new ATOM 0 HD1 TYR A 51 13.587 9.377 -14.394 1.00 0.00 H new ATOM 0 HD2 TYR A 51 16.200 9.384 -11.030 1.00 0.00 H new ATOM 0 HE1 TYR A 51 12.426 7.416 -13.495 1.00 0.00 H new ATOM 0 HE2 TYR A 51 15.045 7.408 -10.133 1.00 0.00 H new ATOM 0 HH TYR A 51 13.394 5.945 -10.400 1.00 0.00 H new ATOM 818 N LEU A 52 14.575 13.590 -14.303 1.00 0.00 N ATOM 819 CA LEU A 52 13.716 14.766 -14.179 1.00 0.00 C ATOM 820 C LEU A 52 12.903 14.934 -15.455 1.00 0.00 C ATOM 821 O LEU A 52 11.851 15.566 -15.473 1.00 0.00 O ATOM 822 CB LEU A 52 14.537 16.030 -13.915 1.00 0.00 C ATOM 823 CG LEU A 52 15.257 16.082 -12.566 1.00 0.00 C ATOM 824 CD1 LEU A 52 15.844 17.464 -12.339 1.00 0.00 C ATOM 825 CD2 LEU A 52 14.312 15.711 -11.435 1.00 0.00 C ATOM 0 H LEU A 52 15.573 13.794 -14.348 1.00 0.00 H new ATOM 0 HA LEU A 52 13.049 14.617 -13.330 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.279 16.131 -14.707 1.00 0.00 H new ATOM 0 HB3 LEU A 52 13.875 16.893 -13.987 1.00 0.00 H new ATOM 0 HG LEU A 52 16.069 15.355 -12.580 1.00 0.00 H new ATOM 0 HD11 LEU A 52 16.354 17.489 -11.376 1.00 0.00 H new ATOM 0 HD12 LEU A 52 16.556 17.692 -13.132 1.00 0.00 H new ATOM 0 HD13 LEU A 52 15.044 18.205 -12.345 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.846 15.755 -10.486 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.477 16.411 -11.414 1.00 0.00 H new ATOM 0 HD23 LEU A 52 13.935 14.701 -11.593 1.00 0.00 H new ATOM 837 N ARG A 53 13.411 14.356 -16.523 1.00 0.00 N ATOM 838 CA ARG A 53 12.720 14.343 -17.796 1.00 0.00 C ATOM 839 C ARG A 53 11.593 13.311 -17.776 1.00 0.00 C ATOM 840 O ARG A 53 10.602 13.439 -18.499 1.00 0.00 O ATOM 841 CB ARG A 53 13.739 14.050 -18.902 1.00 0.00 C ATOM 842 CG ARG A 53 13.153 13.788 -20.274 1.00 0.00 C ATOM 843 CD ARG A 53 14.199 14.033 -21.347 1.00 0.00 C ATOM 844 NE ARG A 53 14.478 15.454 -21.476 1.00 0.00 N ATOM 845 CZ ARG A 53 15.629 15.989 -21.886 1.00 0.00 C ATOM 846 NH1 ARG A 53 16.672 15.223 -22.187 1.00 0.00 N ATOM 847 NH2 ARG A 53 15.735 17.306 -21.966 1.00 0.00 N ATOM 0 H ARG A 53 14.314 13.882 -16.534 1.00 0.00 H new ATOM 0 HA ARG A 53 12.262 15.313 -17.988 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.424 14.894 -18.974 1.00 0.00 H new ATOM 0 HB3 ARG A 53 14.331 13.183 -18.607 1.00 0.00 H new ATOM 0 HG2 ARG A 53 12.794 12.761 -20.334 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.293 14.436 -20.440 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.116 13.498 -21.098 1.00 0.00 H new ATOM 0 HD3 ARG A 53 13.849 13.638 -22.301 1.00 0.00 H new ATOM 0 HE ARG A 53 13.727 16.099 -21.231 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.600 14.209 -22.106 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.545 15.649 -22.499 1.00 0.00 H new ATOM 0 HH21 ARG A 53 14.943 17.898 -21.716 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.609 17.729 -22.278 1.00 0.00 H new ATOM 861 N GLU A 54 11.737 12.302 -16.922 1.00 0.00 N ATOM 862 CA GLU A 54 10.741 11.249 -16.844 1.00 0.00 C ATOM 863 C GLU A 54 9.648 11.572 -15.819 1.00 0.00 C ATOM 864 O GLU A 54 8.506 11.830 -16.202 1.00 0.00 O ATOM 865 CB GLU A 54 11.422 9.921 -16.490 1.00 0.00 C ATOM 866 CG GLU A 54 10.489 8.724 -16.559 1.00 0.00 C ATOM 867 CD GLU A 54 9.789 8.619 -17.896 1.00 0.00 C ATOM 868 OE1 GLU A 54 10.481 8.476 -18.925 1.00 0.00 O ATOM 869 OE2 GLU A 54 8.544 8.686 -17.925 1.00 0.00 O ATOM 0 H GLU A 54 12.525 12.195 -16.283 1.00 0.00 H new ATOM 0 HA GLU A 54 10.260 11.168 -17.819 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.259 9.759 -17.169 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.836 9.991 -15.484 1.00 0.00 H new ATOM 0 HG2 GLU A 54 11.057 7.812 -16.376 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.745 8.800 -15.766 1.00 0.00 H new ATOM 876 N GLN A 55 9.977 11.562 -14.530 1.00 0.00 N ATOM 877 CA GLN A 55 8.977 11.834 -13.494 1.00 0.00 C ATOM 878 C GLN A 55 9.096 13.246 -12.917 1.00 0.00 C ATOM 879 O GLN A 55 8.185 13.722 -12.240 1.00 0.00 O ATOM 880 CB GLN A 55 8.992 10.760 -12.403 1.00 0.00 C ATOM 881 CG GLN A 55 10.313 10.600 -11.676 1.00 0.00 C ATOM 882 CD GLN A 55 10.335 9.345 -10.818 1.00 0.00 C ATOM 883 OE1 GLN A 55 9.699 8.341 -11.150 1.00 0.00 O ATOM 884 NE2 GLN A 55 11.040 9.396 -9.705 1.00 0.00 N ATOM 0 H GLN A 55 10.915 11.371 -14.178 1.00 0.00 H new ATOM 0 HA GLN A 55 8.002 11.789 -13.979 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.219 10.996 -11.672 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.724 9.804 -12.852 1.00 0.00 H new ATOM 0 HG2 GLN A 55 11.125 10.559 -12.402 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.491 11.473 -11.048 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.553 10.244 -9.465 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.073 8.587 -9.084 1.00 0.00 H new ATOM 893 N LEU A 56 10.241 13.890 -13.162 1.00 0.00 N ATOM 894 CA LEU A 56 10.439 15.313 -12.838 1.00 0.00 C ATOM 895 C LEU A 56 10.557 15.560 -11.326 1.00 0.00 C ATOM 896 O LEU A 56 10.244 16.644 -10.842 1.00 0.00 O ATOM 897 CB LEU A 56 9.302 16.161 -13.436 1.00 0.00 C ATOM 898 CG LEU A 56 9.492 17.683 -13.359 1.00 0.00 C ATOM 899 CD1 LEU A 56 10.657 18.131 -14.226 1.00 0.00 C ATOM 900 CD2 LEU A 56 8.216 18.400 -13.770 1.00 0.00 C ATOM 0 H LEU A 56 11.055 13.446 -13.588 1.00 0.00 H new ATOM 0 HA LEU A 56 11.386 15.616 -13.285 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.178 15.882 -14.482 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.374 15.903 -12.925 1.00 0.00 H new ATOM 0 HG LEU A 56 9.720 17.944 -12.325 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.770 19.213 -14.153 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.572 17.647 -13.884 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.466 17.855 -15.263 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.369 19.478 -13.710 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.959 18.127 -14.793 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.405 18.110 -13.102 1.00 0.00 H new ATOM 912 N GLY A 57 11.038 14.576 -10.588 1.00 0.00 N ATOM 913 CA GLY A 57 11.297 14.781 -9.173 1.00 0.00 C ATOM 914 C GLY A 57 10.195 14.268 -8.271 1.00 0.00 C ATOM 915 O GLY A 57 10.358 14.222 -7.049 1.00 0.00 O ATOM 0 H GLY A 57 11.254 13.642 -10.936 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.231 14.285 -8.908 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.438 15.846 -8.989 1.00 0.00 H new ATOM 919 N PHE A 58 9.078 13.866 -8.854 1.00 0.00 N ATOM 920 CA PHE A 58 7.921 13.486 -8.060 1.00 0.00 C ATOM 921 C PHE A 58 7.551 12.024 -8.256 1.00 0.00 C ATOM 922 O PHE A 58 7.410 11.552 -9.386 1.00 0.00 O ATOM 923 CB PHE A 58 6.705 14.334 -8.434 1.00 0.00 C ATOM 924 CG PHE A 58 6.984 15.796 -8.607 1.00 0.00 C ATOM 925 CD1 PHE A 58 6.988 16.648 -7.519 1.00 0.00 C ATOM 926 CD2 PHE A 58 7.227 16.316 -9.866 1.00 0.00 C ATOM 927 CE1 PHE A 58 7.231 17.996 -7.685 1.00 0.00 C ATOM 928 CE2 PHE A 58 7.474 17.663 -10.038 1.00 0.00 C ATOM 929 CZ PHE A 58 7.473 18.503 -8.946 1.00 0.00 C ATOM 0 H PHE A 58 8.948 13.795 -9.863 1.00 0.00 H new ATOM 0 HA PHE A 58 8.196 13.651 -7.018 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.282 13.948 -9.361 1.00 0.00 H new ATOM 0 HB3 PHE A 58 5.945 14.213 -7.662 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.799 16.256 -6.531 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.223 15.660 -10.724 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.232 18.654 -6.829 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.667 18.057 -11.025 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.662 19.558 -9.077 1.00 0.00 H new ATOM 939 N GLU A 59 7.381 11.309 -7.157 1.00 0.00 N ATOM 940 CA GLU A 59 6.719 10.020 -7.214 1.00 0.00 C ATOM 941 C GLU A 59 5.256 10.207 -6.854 1.00 0.00 C ATOM 942 O GLU A 59 4.907 10.358 -5.681 1.00 0.00 O ATOM 943 CB GLU A 59 7.357 8.994 -6.280 1.00 0.00 C ATOM 944 CG GLU A 59 8.639 8.377 -6.806 1.00 0.00 C ATOM 945 CD GLU A 59 8.845 6.969 -6.276 1.00 0.00 C ATOM 946 OE1 GLU A 59 8.930 6.793 -5.046 1.00 0.00 O ATOM 947 OE2 GLU A 59 8.894 6.024 -7.087 1.00 0.00 O ATOM 0 H GLU A 59 7.688 11.595 -6.227 1.00 0.00 H new ATOM 0 HA GLU A 59 6.821 9.632 -8.227 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.565 9.472 -5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.637 8.198 -6.089 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.612 8.355 -7.895 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.486 9.001 -6.521 1.00 0.00 H new ATOM 954 N PHE A 60 4.404 10.213 -7.865 1.00 0.00 N ATOM 955 CA PHE A 60 2.985 10.444 -7.661 1.00 0.00 C ATOM 956 C PHE A 60 2.286 9.170 -7.225 1.00 0.00 C ATOM 957 O PHE A 60 2.102 8.252 -8.025 1.00 0.00 O ATOM 958 CB PHE A 60 2.334 10.975 -8.939 1.00 0.00 C ATOM 959 CG PHE A 60 2.802 12.346 -9.343 1.00 0.00 C ATOM 960 CD1 PHE A 60 2.286 13.475 -8.727 1.00 0.00 C ATOM 961 CD2 PHE A 60 3.750 12.506 -10.340 1.00 0.00 C ATOM 962 CE1 PHE A 60 2.709 14.737 -9.098 1.00 0.00 C ATOM 963 CE2 PHE A 60 4.175 13.765 -10.716 1.00 0.00 C ATOM 964 CZ PHE A 60 3.653 14.881 -10.094 1.00 0.00 C ATOM 0 H PHE A 60 4.672 10.060 -8.837 1.00 0.00 H new ATOM 0 HA PHE A 60 2.881 11.190 -6.873 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.537 10.279 -9.753 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.253 10.998 -8.801 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.545 13.367 -7.949 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.162 11.636 -10.829 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.301 15.609 -8.609 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.914 13.876 -11.495 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.983 15.867 -10.387 1.00 0.00 H new ATOM 974 N LYS A 61 1.917 9.103 -5.956 1.00 0.00 N ATOM 975 CA LYS A 61 1.133 7.981 -5.462 1.00 0.00 C ATOM 976 C LYS A 61 -0.287 8.437 -5.165 1.00 0.00 C ATOM 977 O LYS A 61 -0.638 8.741 -4.025 1.00 0.00 O ATOM 978 CB LYS A 61 1.756 7.343 -4.214 1.00 0.00 C ATOM 979 CG LYS A 61 2.986 6.480 -4.478 1.00 0.00 C ATOM 980 CD LYS A 61 4.225 7.315 -4.743 1.00 0.00 C ATOM 981 CE LYS A 61 5.470 6.447 -4.836 1.00 0.00 C ATOM 982 NZ LYS A 61 5.432 5.520 -6.000 1.00 0.00 N ATOM 0 H LYS A 61 2.145 9.806 -5.253 1.00 0.00 H new ATOM 0 HA LYS A 61 1.120 7.219 -6.241 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.029 8.135 -3.517 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.000 6.731 -3.721 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.164 5.831 -3.620 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.796 5.832 -5.334 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.098 7.872 -5.671 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.349 8.048 -3.946 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.350 7.086 -4.913 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.575 5.869 -3.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.337 5.012 -6.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.659 4.836 -5.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.274 6.064 -6.872 1.00 0.00 H new ATOM 996 N ASN A 62 -1.086 8.523 -6.211 1.00 0.00 N ATOM 997 CA ASN A 62 -2.457 8.979 -6.080 1.00 0.00 C ATOM 998 C ASN A 62 -3.354 7.830 -5.667 1.00 0.00 C ATOM 999 O ASN A 62 -3.120 6.679 -6.043 1.00 0.00 O ATOM 1000 CB ASN A 62 -2.949 9.591 -7.393 1.00 0.00 C ATOM 1001 CG ASN A 62 -2.246 10.896 -7.729 1.00 0.00 C ATOM 1002 OD1 ASN A 62 -2.033 11.221 -8.897 1.00 0.00 O ATOM 1003 ND2 ASN A 62 -1.888 11.660 -6.706 1.00 0.00 N ATOM 0 H ASN A 62 -0.809 8.283 -7.163 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.493 9.747 -5.308 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.792 8.879 -8.203 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.023 9.767 -7.328 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.419 12.550 -6.874 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.081 11.357 -5.751 1.00 0.00 H new ATOM 1010 N ALA A 63 -4.370 8.143 -4.882 1.00 0.00 N ATOM 1011 CA ALA A 63 -5.313 7.146 -4.421 1.00 0.00 C ATOM 1012 C ALA A 63 -6.241 6.733 -5.553 1.00 0.00 C ATOM 1013 O ALA A 63 -7.370 7.217 -5.667 1.00 0.00 O ATOM 1014 CB ALA A 63 -6.108 7.669 -3.236 1.00 0.00 C ATOM 0 H ALA A 63 -4.562 9.088 -4.550 1.00 0.00 H new ATOM 0 HA ALA A 63 -4.757 6.267 -4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.811 6.905 -2.904 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.427 7.914 -2.421 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.657 8.563 -3.532 1.00 0.00 H new ATOM 1477 N ASP B 19 4.138 -1.486 4.617 1.00 0.00 N ATOM 1478 CA ASP B 19 3.153 -0.800 3.789 1.00 0.00 C ATOM 1479 C ASP B 19 2.602 0.414 4.523 1.00 0.00 C ATOM 1480 O ASP B 19 1.594 1.001 4.132 1.00 0.00 O ATOM 1481 CB ASP B 19 2.022 -1.756 3.404 1.00 0.00 C ATOM 1482 CG ASP B 19 1.247 -1.280 2.188 1.00 0.00 C ATOM 1483 OD1 ASP B 19 1.808 -1.326 1.070 1.00 0.00 O ATOM 1484 OD2 ASP B 19 0.080 -0.869 2.337 1.00 0.00 O ATOM 0 HA ASP B 19 3.640 -0.460 2.875 1.00 0.00 H new ATOM 0 HB2 ASP B 19 2.438 -2.743 3.202 1.00 0.00 H new ATOM 0 HB3 ASP B 19 1.339 -1.864 4.247 1.00 0.00 H new ATOM 1489 N VAL B 20 3.285 0.796 5.587 1.00 0.00 N ATOM 1490 CA VAL B 20 2.888 1.948 6.371 1.00 0.00 C ATOM 1491 C VAL B 20 3.878 3.079 6.147 1.00 0.00 C ATOM 1492 O VAL B 20 5.087 2.862 6.184 1.00 0.00 O ATOM 1493 CB VAL B 20 2.839 1.628 7.880 1.00 0.00 C ATOM 1494 CG1 VAL B 20 2.082 2.710 8.635 1.00 0.00 C ATOM 1495 CG2 VAL B 20 2.222 0.262 8.124 1.00 0.00 C ATOM 0 H VAL B 20 4.121 0.322 5.928 1.00 0.00 H new ATOM 0 HA VAL B 20 1.888 2.237 6.047 1.00 0.00 H new ATOM 0 HB VAL B 20 3.862 1.606 8.256 1.00 0.00 H new ATOM 0 HG11 VAL B 20 2.059 2.465 9.697 1.00 0.00 H new ATOM 0 HG12 VAL B 20 2.581 3.669 8.495 1.00 0.00 H new ATOM 0 HG13 VAL B 20 1.062 2.773 8.255 1.00 0.00 H new ATOM 0 HG21 VAL B 20 2.199 0.059 9.195 1.00 0.00 H new ATOM 0 HG22 VAL B 20 1.206 0.246 7.729 1.00 0.00 H new ATOM 0 HG23 VAL B 20 2.818 -0.501 7.623 1.00 0.00 H new ATOM 1505 N GLN B 21 3.368 4.265 5.862 1.00 0.00 N ATOM 1506 CA GLN B 21 4.204 5.451 5.754 1.00 0.00 C ATOM 1507 C GLN B 21 3.424 6.682 6.200 1.00 0.00 C ATOM 1508 O GLN B 21 2.198 6.639 6.311 1.00 0.00 O ATOM 1509 CB GLN B 21 4.772 5.603 4.332 1.00 0.00 C ATOM 1510 CG GLN B 21 3.774 5.353 3.207 1.00 0.00 C ATOM 1511 CD GLN B 21 2.834 6.516 2.976 1.00 0.00 C ATOM 1512 OE1 GLN B 21 3.178 7.666 3.224 1.00 0.00 O ATOM 1513 NE2 GLN B 21 1.647 6.223 2.485 1.00 0.00 N ATOM 0 H GLN B 21 2.375 4.434 5.700 1.00 0.00 H new ATOM 0 HA GLN B 21 5.060 5.342 6.419 1.00 0.00 H new ATOM 0 HB2 GLN B 21 5.173 6.611 4.224 1.00 0.00 H new ATOM 0 HB3 GLN B 21 5.608 4.913 4.216 1.00 0.00 H new ATOM 0 HG2 GLN B 21 4.319 5.146 2.286 1.00 0.00 H new ATOM 0 HG3 GLN B 21 3.190 4.462 3.439 1.00 0.00 H new ATOM 0 HE21 GLN B 21 1.400 5.252 2.293 1.00 0.00 H new ATOM 0 HE22 GLN B 21 0.975 6.967 2.297 1.00 0.00 H new ATOM 1522 N ILE B 22 4.132 7.767 6.476 1.00 0.00 N ATOM 1523 CA ILE B 22 3.503 8.966 7.017 1.00 0.00 C ATOM 1524 C ILE B 22 3.979 10.215 6.276 1.00 0.00 C ATOM 1525 O ILE B 22 5.100 10.255 5.768 1.00 0.00 O ATOM 1526 CB ILE B 22 3.801 9.125 8.528 1.00 0.00 C ATOM 1527 CG1 ILE B 22 3.414 7.860 9.300 1.00 0.00 C ATOM 1528 CG2 ILE B 22 3.050 10.316 9.089 1.00 0.00 C ATOM 1529 CD1 ILE B 22 3.646 7.968 10.792 1.00 0.00 C ATOM 0 H ILE B 22 5.139 7.844 6.335 1.00 0.00 H new ATOM 0 HA ILE B 22 2.428 8.854 6.879 1.00 0.00 H new ATOM 0 HB ILE B 22 4.873 9.288 8.644 1.00 0.00 H new ATOM 0 HG12 ILE B 22 2.362 7.641 9.119 1.00 0.00 H new ATOM 0 HG13 ILE B 22 3.986 7.018 8.911 1.00 0.00 H new ATOM 0 HG21 ILE B 22 3.269 10.416 10.152 1.00 0.00 H new ATOM 0 HG22 ILE B 22 3.362 11.221 8.568 1.00 0.00 H new ATOM 0 HG23 ILE B 22 1.979 10.169 8.951 1.00 0.00 H new ATOM 0 HD11 ILE B 22 3.350 7.037 11.275 1.00 0.00 H new ATOM 0 HD12 ILE B 22 4.702 8.156 10.983 1.00 0.00 H new ATOM 0 HD13 ILE B 22 3.053 8.789 11.194 1.00 0.00 H new ATOM 1541 N ASP B 23 3.118 11.228 6.218 1.00 0.00 N ATOM 1542 CA ASP B 23 3.434 12.483 5.562 1.00 0.00 C ATOM 1543 C ASP B 23 4.343 13.353 6.433 1.00 0.00 C ATOM 1544 O ASP B 23 4.890 12.902 7.442 1.00 0.00 O ATOM 1545 CB ASP B 23 2.143 13.241 5.252 1.00 0.00 C ATOM 1546 CG ASP B 23 1.513 13.834 6.496 1.00 0.00 C ATOM 1547 OD1 ASP B 23 1.078 13.060 7.376 1.00 0.00 O ATOM 1548 OD2 ASP B 23 1.482 15.077 6.602 1.00 0.00 O ATOM 0 H ASP B 23 2.184 11.197 6.626 1.00 0.00 H new ATOM 0 HA ASP B 23 3.964 12.258 4.636 1.00 0.00 H new ATOM 0 HB2 ASP B 23 2.354 14.038 4.539 1.00 0.00 H new ATOM 0 HB3 ASP B 23 1.433 12.566 4.774 1.00 0.00 H new ATOM 1553 N PHE B 24 4.483 14.608 6.030 1.00 0.00 N ATOM 1554 CA PHE B 24 5.367 15.553 6.694 1.00 0.00 C ATOM 1555 C PHE B 24 4.833 15.958 8.071 1.00 0.00 C ATOM 1556 O PHE B 24 5.609 16.268 8.974 1.00 0.00 O ATOM 1557 CB PHE B 24 5.541 16.788 5.802 1.00 0.00 C ATOM 1558 CG PHE B 24 6.492 17.819 6.344 1.00 0.00 C ATOM 1559 CD1 PHE B 24 7.861 17.626 6.269 1.00 0.00 C ATOM 1560 CD2 PHE B 24 6.014 18.987 6.921 1.00 0.00 C ATOM 1561 CE1 PHE B 24 8.737 18.575 6.760 1.00 0.00 C ATOM 1562 CE2 PHE B 24 6.885 19.939 7.413 1.00 0.00 C ATOM 1563 CZ PHE B 24 8.249 19.732 7.332 1.00 0.00 C ATOM 0 H PHE B 24 3.985 15.000 5.231 1.00 0.00 H new ATOM 0 HA PHE B 24 6.332 15.072 6.853 1.00 0.00 H new ATOM 0 HB2 PHE B 24 5.894 16.466 4.822 1.00 0.00 H new ATOM 0 HB3 PHE B 24 4.567 17.253 5.653 1.00 0.00 H new ATOM 0 HD1 PHE B 24 8.249 16.723 5.821 1.00 0.00 H new ATOM 0 HD2 PHE B 24 4.949 19.153 6.986 1.00 0.00 H new ATOM 0 HE1 PHE B 24 9.803 18.411 6.696 1.00 0.00 H new ATOM 0 HE2 PHE B 24 6.501 20.844 7.860 1.00 0.00 H new ATOM 0 HZ PHE B 24 8.932 20.475 7.716 1.00 0.00 H new ATOM 1573 N TYR B 25 3.514 15.940 8.241 1.00 0.00 N ATOM 1574 CA TYR B 25 2.906 16.406 9.482 1.00 0.00 C ATOM 1575 C TYR B 25 2.841 15.307 10.539 1.00 0.00 C ATOM 1576 O TYR B 25 2.496 15.571 11.692 1.00 0.00 O ATOM 1577 CB TYR B 25 1.522 17.002 9.215 1.00 0.00 C ATOM 1578 CG TYR B 25 1.592 18.356 8.541 1.00 0.00 C ATOM 1579 CD1 TYR B 25 1.651 19.519 9.295 1.00 0.00 C ATOM 1580 CD2 TYR B 25 1.618 18.470 7.157 1.00 0.00 C ATOM 1581 CE1 TYR B 25 1.734 20.759 8.692 1.00 0.00 C ATOM 1582 CE2 TYR B 25 1.698 19.708 6.545 1.00 0.00 C ATOM 1583 CZ TYR B 25 1.757 20.849 7.317 1.00 0.00 C ATOM 1584 OH TYR B 25 1.843 22.083 6.712 1.00 0.00 O ATOM 0 H TYR B 25 2.850 15.610 7.540 1.00 0.00 H new ATOM 0 HA TYR B 25 3.546 17.191 9.884 1.00 0.00 H new ATOM 0 HB2 TYR B 25 0.950 16.317 8.588 1.00 0.00 H new ATOM 0 HB3 TYR B 25 0.983 17.097 10.158 1.00 0.00 H new ATOM 0 HD1 TYR B 25 1.632 19.454 10.373 1.00 0.00 H new ATOM 0 HD2 TYR B 25 1.575 17.578 6.549 1.00 0.00 H new ATOM 0 HE1 TYR B 25 1.781 21.654 9.295 1.00 0.00 H new ATOM 0 HE2 TYR B 25 1.714 19.781 5.468 1.00 0.00 H new ATOM 0 HH TYR B 25 1.849 21.970 5.739 1.00 0.00 H new ATOM 1594 N GLY B 26 3.162 14.081 10.148 1.00 0.00 N ATOM 1595 CA GLY B 26 3.372 13.030 11.122 1.00 0.00 C ATOM 1596 C GLY B 26 2.094 12.415 11.660 1.00 0.00 C ATOM 1597 O GLY B 26 2.024 12.073 12.842 1.00 0.00 O ATOM 0 H GLY B 26 3.280 13.797 9.176 1.00 0.00 H new ATOM 0 HA2 GLY B 26 3.976 12.245 10.668 1.00 0.00 H new ATOM 0 HA3 GLY B 26 3.947 13.433 11.956 1.00 0.00 H new ATOM 1601 N ASP B 27 1.084 12.266 10.813 1.00 0.00 N ATOM 1602 CA ASP B 27 -0.121 11.543 11.207 1.00 0.00 C ATOM 1603 C ASP B 27 -0.069 10.105 10.704 1.00 0.00 C ATOM 1604 O ASP B 27 0.482 9.230 11.374 1.00 0.00 O ATOM 1605 CB ASP B 27 -1.391 12.242 10.710 1.00 0.00 C ATOM 1606 CG ASP B 27 -1.964 13.192 11.742 1.00 0.00 C ATOM 1607 OD1 ASP B 27 -2.618 12.713 12.693 1.00 0.00 O ATOM 1608 OD2 ASP B 27 -1.761 14.419 11.618 1.00 0.00 O ATOM 0 H ASP B 27 1.072 12.630 9.860 1.00 0.00 H new ATOM 0 HA ASP B 27 -0.158 11.533 12.296 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -1.166 12.793 9.797 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -2.140 11.492 10.454 1.00 0.00 H new ATOM 1613 N GLU B 28 -0.616 9.870 9.518 1.00 0.00 N ATOM 1614 CA GLU B 28 -0.566 8.557 8.885 1.00 0.00 C ATOM 1615 C GLU B 28 -1.132 8.648 7.478 1.00 0.00 C ATOM 1616 O GLU B 28 -2.151 9.304 7.256 1.00 0.00 O ATOM 1617 CB GLU B 28 -1.359 7.517 9.684 1.00 0.00 C ATOM 1618 CG GLU B 28 -1.065 6.083 9.268 1.00 0.00 C ATOM 1619 CD GLU B 28 -1.911 5.068 10.012 1.00 0.00 C ATOM 1620 OE1 GLU B 28 -1.819 5.010 11.257 1.00 0.00 O ATOM 1621 OE2 GLU B 28 -2.673 4.323 9.363 1.00 0.00 O ATOM 0 H GLU B 28 -1.104 10.579 8.970 1.00 0.00 H new ATOM 0 HA GLU B 28 0.476 8.240 8.852 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -1.132 7.634 10.744 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -2.425 7.712 9.563 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -1.238 5.978 8.197 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -0.011 5.868 9.443 1.00 0.00 H new ATOM 1628 N VAL B 29 -0.472 8.005 6.533 1.00 0.00 N ATOM 1629 CA VAL B 29 -0.943 7.995 5.165 1.00 0.00 C ATOM 1630 C VAL B 29 -1.233 6.571 4.722 1.00 0.00 C ATOM 1631 O VAL B 29 -0.356 5.706 4.751 1.00 0.00 O ATOM 1632 CB VAL B 29 0.077 8.628 4.201 1.00 0.00 C ATOM 1633 CG1 VAL B 29 -0.503 8.737 2.801 1.00 0.00 C ATOM 1634 CG2 VAL B 29 0.522 9.991 4.701 1.00 0.00 C ATOM 0 H VAL B 29 0.391 7.484 6.689 1.00 0.00 H new ATOM 0 HA VAL B 29 -1.856 8.590 5.133 1.00 0.00 H new ATOM 0 HB VAL B 29 0.951 7.978 4.162 1.00 0.00 H new ATOM 0 HG11 VAL B 29 0.234 9.187 2.136 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -0.762 7.743 2.436 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -1.398 9.359 2.825 1.00 0.00 H new ATOM 0 HG21 VAL B 29 1.242 10.417 4.003 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -0.343 10.650 4.778 1.00 0.00 H new ATOM 0 HG23 VAL B 29 0.986 9.885 5.682 1.00 0.00 H new ATOM 1644 N THR B 30 -2.467 6.326 4.328 1.00 0.00 N ATOM 1645 CA THR B 30 -2.872 5.008 3.882 1.00 0.00 C ATOM 1646 C THR B 30 -2.950 4.978 2.355 1.00 0.00 C ATOM 1647 O THR B 30 -2.885 6.028 1.713 1.00 0.00 O ATOM 1648 CB THR B 30 -4.239 4.624 4.492 1.00 0.00 C ATOM 1649 OG1 THR B 30 -5.262 5.495 3.997 1.00 0.00 O ATOM 1650 CG2 THR B 30 -4.197 4.706 6.014 1.00 0.00 C ATOM 0 H THR B 30 -3.209 7.026 4.308 1.00 0.00 H new ATOM 0 HA THR B 30 -2.130 4.283 4.217 1.00 0.00 H new ATOM 0 HB THR B 30 -4.462 3.597 4.201 1.00 0.00 H new ATOM 0 HG1 THR B 30 -5.157 6.383 4.398 1.00 0.00 H new ATOM 0 HG21 THR B 30 -5.170 4.431 6.420 1.00 0.00 H new ATOM 0 HG22 THR B 30 -3.439 4.022 6.394 1.00 0.00 H new ATOM 0 HG23 THR B 30 -3.952 5.724 6.317 1.00 0.00 H new ATOM 1658 N PRO B 31 -3.086 3.786 1.743 1.00 0.00 N ATOM 1659 CA PRO B 31 -3.216 3.655 0.282 1.00 0.00 C ATOM 1660 C PRO B 31 -4.503 4.288 -0.254 1.00 0.00 C ATOM 1661 O PRO B 31 -4.736 4.329 -1.462 1.00 0.00 O ATOM 1662 CB PRO B 31 -3.235 2.136 0.058 1.00 0.00 C ATOM 1663 CG PRO B 31 -3.659 1.560 1.365 1.00 0.00 C ATOM 1664 CD PRO B 31 -3.094 2.471 2.413 1.00 0.00 C ATOM 0 HA PRO B 31 -2.409 4.169 -0.241 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -3.928 1.863 -0.737 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -2.252 1.768 -0.236 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -4.745 1.508 1.436 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -3.283 0.544 1.485 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -3.709 2.481 3.313 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -2.092 2.166 2.715 1.00 0.00 H new ATOM 1672 N VAL B 32 -5.337 4.776 0.655 1.00 0.00 N ATOM 1673 CA VAL B 32 -6.591 5.415 0.284 1.00 0.00 C ATOM 1674 C VAL B 32 -6.428 6.937 0.287 1.00 0.00 C ATOM 1675 O VAL B 32 -7.345 7.679 -0.064 1.00 0.00 O ATOM 1676 CB VAL B 32 -7.732 5.006 1.249 1.00 0.00 C ATOM 1677 CG1 VAL B 32 -9.093 5.404 0.691 1.00 0.00 C ATOM 1678 CG2 VAL B 32 -7.686 3.511 1.529 1.00 0.00 C ATOM 0 H VAL B 32 -5.165 4.741 1.660 1.00 0.00 H new ATOM 0 HA VAL B 32 -6.855 5.083 -0.720 1.00 0.00 H new ATOM 0 HB VAL B 32 -7.584 5.539 2.188 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -9.874 5.104 1.389 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -9.127 6.484 0.550 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -9.253 4.908 -0.267 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -8.495 3.243 2.209 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -7.800 2.962 0.594 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -6.730 3.255 1.985 1.00 0.00 H new ATOM 1688 N ASP B 33 -5.240 7.393 0.666 1.00 0.00 N ATOM 1689 CA ASP B 33 -4.955 8.820 0.744 1.00 0.00 C ATOM 1690 C ASP B 33 -4.034 9.241 -0.390 1.00 0.00 C ATOM 1691 O ASP B 33 -3.071 8.544 -0.704 1.00 0.00 O ATOM 1692 CB ASP B 33 -4.290 9.183 2.078 1.00 0.00 C ATOM 1693 CG ASP B 33 -5.125 8.825 3.290 1.00 0.00 C ATOM 1694 OD1 ASP B 33 -6.221 9.401 3.464 1.00 0.00 O ATOM 1695 OD2 ASP B 33 -4.681 7.980 4.092 1.00 0.00 O ATOM 0 H ASP B 33 -4.457 6.793 0.925 1.00 0.00 H new ATOM 0 HA ASP B 33 -5.907 9.345 0.665 1.00 0.00 H new ATOM 0 HB2 ASP B 33 -3.329 8.673 2.146 1.00 0.00 H new ATOM 0 HB3 ASP B 33 -4.084 10.253 2.092 1.00 0.00 H new ATOM 1700 N ASP B 34 -4.339 10.376 -1.008 1.00 0.00 N ATOM 1701 CA ASP B 34 -3.459 10.954 -2.020 1.00 0.00 C ATOM 1702 C ASP B 34 -2.181 11.462 -1.378 1.00 0.00 C ATOM 1703 O ASP B 34 -2.221 12.384 -0.560 1.00 0.00 O ATOM 1704 CB ASP B 34 -4.130 12.126 -2.746 1.00 0.00 C ATOM 1705 CG ASP B 34 -5.000 11.711 -3.913 1.00 0.00 C ATOM 1706 OD1 ASP B 34 -4.639 10.750 -4.616 1.00 0.00 O ATOM 1707 OD2 ASP B 34 -6.015 12.388 -4.164 1.00 0.00 O ATOM 0 H ASP B 34 -5.186 10.914 -0.828 1.00 0.00 H new ATOM 0 HA ASP B 34 -3.237 10.166 -2.740 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -4.738 12.682 -2.032 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -3.358 12.807 -3.105 1.00 0.00 H new ATOM 1712 N TYR B 35 -1.053 10.874 -1.738 1.00 0.00 N ATOM 1713 CA TYR B 35 0.225 11.362 -1.253 1.00 0.00 C ATOM 1714 C TYR B 35 1.269 11.313 -2.356 1.00 0.00 C ATOM 1715 O TYR B 35 1.323 10.374 -3.146 1.00 0.00 O ATOM 1716 CB TYR B 35 0.700 10.569 -0.027 1.00 0.00 C ATOM 1717 CG TYR B 35 1.282 9.202 -0.329 1.00 0.00 C ATOM 1718 CD1 TYR B 35 0.464 8.098 -0.528 1.00 0.00 C ATOM 1719 CD2 TYR B 35 2.657 9.021 -0.395 1.00 0.00 C ATOM 1720 CE1 TYR B 35 1.003 6.852 -0.785 1.00 0.00 C ATOM 1721 CE2 TYR B 35 3.203 7.781 -0.650 1.00 0.00 C ATOM 1722 CZ TYR B 35 2.373 6.700 -0.845 1.00 0.00 C ATOM 1723 OH TYR B 35 2.916 5.461 -1.100 1.00 0.00 O ATOM 0 H TYR B 35 -0.996 10.066 -2.358 1.00 0.00 H new ATOM 0 HA TYR B 35 0.089 12.399 -0.946 1.00 0.00 H new ATOM 0 HB2 TYR B 35 1.452 11.158 0.498 1.00 0.00 H new ATOM 0 HB3 TYR B 35 -0.142 10.446 0.654 1.00 0.00 H new ATOM 0 HD1 TYR B 35 -0.609 8.215 -0.481 1.00 0.00 H new ATOM 0 HD2 TYR B 35 3.311 9.867 -0.244 1.00 0.00 H new ATOM 0 HE1 TYR B 35 0.355 6.001 -0.938 1.00 0.00 H new ATOM 0 HE2 TYR B 35 4.275 7.658 -0.696 1.00 0.00 H new ATOM 0 HH TYR B 35 3.894 5.528 -1.110 1.00 0.00 H new ATOM 1733 N VAL B 36 2.084 12.339 -2.422 1.00 0.00 N ATOM 1734 CA VAL B 36 3.162 12.381 -3.385 1.00 0.00 C ATOM 1735 C VAL B 36 4.486 12.431 -2.649 1.00 0.00 C ATOM 1736 O VAL B 36 4.604 13.090 -1.614 1.00 0.00 O ATOM 1737 CB VAL B 36 3.035 13.595 -4.332 1.00 0.00 C ATOM 1738 CG1 VAL B 36 4.177 13.635 -5.341 1.00 0.00 C ATOM 1739 CG2 VAL B 36 1.692 13.574 -5.047 1.00 0.00 C ATOM 0 H VAL B 36 2.022 13.159 -1.819 1.00 0.00 H new ATOM 0 HA VAL B 36 3.110 11.481 -3.998 1.00 0.00 H new ATOM 0 HB VAL B 36 3.095 14.499 -3.726 1.00 0.00 H new ATOM 0 HG11 VAL B 36 4.057 14.501 -5.992 1.00 0.00 H new ATOM 0 HG12 VAL B 36 5.127 13.707 -4.812 1.00 0.00 H new ATOM 0 HG13 VAL B 36 4.164 12.725 -5.941 1.00 0.00 H new ATOM 0 HG21 VAL B 36 1.619 14.436 -5.710 1.00 0.00 H new ATOM 0 HG22 VAL B 36 1.605 12.658 -5.632 1.00 0.00 H new ATOM 0 HG23 VAL B 36 0.888 13.613 -4.312 1.00 0.00 H new ATOM 1749 N ILE B 37 5.462 11.697 -3.144 1.00 0.00 N ATOM 1750 CA ILE B 37 6.782 11.733 -2.563 1.00 0.00 C ATOM 1751 C ILE B 37 7.607 12.796 -3.262 1.00 0.00 C ATOM 1752 O ILE B 37 8.162 12.562 -4.341 1.00 0.00 O ATOM 1753 CB ILE B 37 7.496 10.370 -2.638 1.00 0.00 C ATOM 1754 CG1 ILE B 37 6.674 9.302 -1.918 1.00 0.00 C ATOM 1755 CG2 ILE B 37 8.886 10.463 -2.034 1.00 0.00 C ATOM 1756 CD1 ILE B 37 7.369 7.962 -1.838 1.00 0.00 C ATOM 0 H ILE B 37 5.364 11.072 -3.944 1.00 0.00 H new ATOM 0 HA ILE B 37 6.675 11.975 -1.506 1.00 0.00 H new ATOM 0 HB ILE B 37 7.594 10.088 -3.686 1.00 0.00 H new ATOM 0 HG12 ILE B 37 6.448 9.647 -0.909 1.00 0.00 H new ATOM 0 HG13 ILE B 37 5.721 9.179 -2.433 1.00 0.00 H new ATOM 0 HG21 ILE B 37 9.375 9.491 -2.096 1.00 0.00 H new ATOM 0 HG22 ILE B 37 9.473 11.200 -2.583 1.00 0.00 H new ATOM 0 HG23 ILE B 37 8.809 10.765 -0.989 1.00 0.00 H new ATOM 0 HD11 ILE B 37 6.730 7.251 -1.315 1.00 0.00 H new ATOM 0 HD12 ILE B 37 7.571 7.596 -2.845 1.00 0.00 H new ATOM 0 HD13 ILE B 37 8.309 8.071 -1.297 1.00 0.00 H new ATOM 1768 N ASP B 38 7.653 13.967 -2.651 1.00 0.00 N ATOM 1769 CA ASP B 38 8.361 15.099 -3.217 1.00 0.00 C ATOM 1770 C ASP B 38 9.845 14.961 -2.963 1.00 0.00 C ATOM 1771 O ASP B 38 10.351 15.356 -1.911 1.00 0.00 O ATOM 1772 CB ASP B 38 7.858 16.425 -2.637 1.00 0.00 C ATOM 1773 CG ASP B 38 6.483 16.819 -3.144 1.00 0.00 C ATOM 1774 OD1 ASP B 38 6.068 16.313 -4.208 1.00 0.00 O ATOM 1775 OD2 ASP B 38 5.826 17.645 -2.477 1.00 0.00 O ATOM 0 H ASP B 38 7.204 14.158 -1.755 1.00 0.00 H new ATOM 0 HA ASP B 38 8.172 15.106 -4.290 1.00 0.00 H new ATOM 0 HB2 ASP B 38 7.829 16.350 -1.550 1.00 0.00 H new ATOM 0 HB3 ASP B 38 8.568 17.214 -2.884 1.00 0.00 H new ATOM 1780 N GLY B 39 10.527 14.331 -3.901 1.00 0.00 N ATOM 1781 CA GLY B 39 11.963 14.192 -3.813 1.00 0.00 C ATOM 1782 C GLY B 39 12.394 13.104 -2.850 1.00 0.00 C ATOM 1783 O GLY B 39 13.514 12.621 -2.926 1.00 0.00 O ATOM 0 H GLY B 39 10.108 13.909 -4.730 1.00 0.00 H new ATOM 0 HA2 GLY B 39 12.363 13.973 -4.803 1.00 0.00 H new ATOM 0 HA3 GLY B 39 12.396 15.141 -3.498 1.00 0.00 H new ATOM 1787 N GLY B 40 11.493 12.689 -1.975 1.00 0.00 N ATOM 1788 CA GLY B 40 11.844 11.747 -0.934 1.00 0.00 C ATOM 1789 C GLY B 40 10.975 11.934 0.288 1.00 0.00 C ATOM 1790 O GLY B 40 10.855 11.038 1.124 1.00 0.00 O ATOM 0 H GLY B 40 10.518 12.990 -1.967 1.00 0.00 H new ATOM 0 HA2 GLY B 40 11.735 10.729 -1.309 1.00 0.00 H new ATOM 0 HA3 GLY B 40 12.892 11.876 -0.662 1.00 0.00 H new ATOM 1794 N GLU B 41 10.358 13.103 0.389 1.00 0.00 N ATOM 1795 CA GLU B 41 9.458 13.394 1.491 1.00 0.00 C ATOM 1796 C GLU B 41 8.024 13.053 1.096 1.00 0.00 C ATOM 1797 O GLU B 41 7.640 13.219 -0.053 1.00 0.00 O ATOM 1798 CB GLU B 41 9.564 14.869 1.887 1.00 0.00 C ATOM 1799 CG GLU B 41 8.861 15.194 3.196 1.00 0.00 C ATOM 1800 CD GLU B 41 9.385 14.360 4.347 1.00 0.00 C ATOM 1801 OE1 GLU B 41 8.878 13.235 4.549 1.00 0.00 O ATOM 1802 OE2 GLU B 41 10.319 14.812 5.041 1.00 0.00 O ATOM 0 H GLU B 41 10.466 13.865 -0.281 1.00 0.00 H new ATOM 0 HA GLU B 41 9.741 12.784 2.349 1.00 0.00 H new ATOM 0 HB2 GLU B 41 10.616 15.140 1.971 1.00 0.00 H new ATOM 0 HB3 GLU B 41 9.139 15.482 1.093 1.00 0.00 H new ATOM 0 HG2 GLU B 41 8.994 16.251 3.425 1.00 0.00 H new ATOM 0 HG3 GLU B 41 7.790 15.024 3.084 1.00 0.00 H new ATOM 1809 N ILE B 42 7.249 12.570 2.050 1.00 0.00 N ATOM 1810 CA ILE B 42 5.867 12.187 1.797 1.00 0.00 C ATOM 1811 C ILE B 42 4.924 13.288 2.262 1.00 0.00 C ATOM 1812 O ILE B 42 5.051 13.782 3.378 1.00 0.00 O ATOM 1813 CB ILE B 42 5.514 10.870 2.527 1.00 0.00 C ATOM 1814 CG1 ILE B 42 6.315 9.706 1.939 1.00 0.00 C ATOM 1815 CG2 ILE B 42 4.020 10.591 2.434 1.00 0.00 C ATOM 1816 CD1 ILE B 42 6.335 8.474 2.816 1.00 0.00 C ATOM 0 H ILE B 42 7.553 12.432 3.014 1.00 0.00 H new ATOM 0 HA ILE B 42 5.753 12.035 0.724 1.00 0.00 H new ATOM 0 HB ILE B 42 5.777 10.976 3.579 1.00 0.00 H new ATOM 0 HG12 ILE B 42 5.896 9.443 0.968 1.00 0.00 H new ATOM 0 HG13 ILE B 42 7.340 10.034 1.765 1.00 0.00 H new ATOM 0 HG21 ILE B 42 3.791 9.660 2.953 1.00 0.00 H new ATOM 0 HG22 ILE B 42 3.468 11.410 2.895 1.00 0.00 H new ATOM 0 HG23 ILE B 42 3.731 10.503 1.387 1.00 0.00 H new ATOM 0 HD11 ILE B 42 6.922 7.693 2.333 1.00 0.00 H new ATOM 0 HD12 ILE B 42 6.782 8.720 3.779 1.00 0.00 H new ATOM 0 HD13 ILE B 42 5.316 8.120 2.969 1.00 0.00 H new ATOM 1828 N ILE B 43 4.003 13.698 1.401 1.00 0.00 N ATOM 1829 CA ILE B 43 3.033 14.716 1.774 1.00 0.00 C ATOM 1830 C ILE B 43 1.649 14.350 1.253 1.00 0.00 C ATOM 1831 O ILE B 43 1.493 14.012 0.075 1.00 0.00 O ATOM 1832 CB ILE B 43 3.395 16.121 1.220 1.00 0.00 C ATOM 1833 CG1 ILE B 43 4.876 16.457 1.423 1.00 0.00 C ATOM 1834 CG2 ILE B 43 2.537 17.185 1.884 1.00 0.00 C ATOM 1835 CD1 ILE B 43 5.769 15.953 0.310 1.00 0.00 C ATOM 0 H ILE B 43 3.908 13.345 0.449 1.00 0.00 H new ATOM 0 HA ILE B 43 3.043 14.756 2.863 1.00 0.00 H new ATOM 0 HB ILE B 43 3.199 16.104 0.148 1.00 0.00 H new ATOM 0 HG12 ILE B 43 4.987 17.538 1.505 1.00 0.00 H new ATOM 0 HG13 ILE B 43 5.211 16.030 2.368 1.00 0.00 H new ATOM 0 HG21 ILE B 43 2.801 18.165 1.487 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.485 16.983 1.682 1.00 0.00 H new ATOM 0 HG23 ILE B 43 2.709 17.171 2.960 1.00 0.00 H new ATOM 0 HD11 ILE B 43 6.803 16.227 0.521 1.00 0.00 H new ATOM 0 HD12 ILE B 43 5.688 14.868 0.241 1.00 0.00 H new ATOM 0 HD13 ILE B 43 5.460 16.400 -0.635 1.00 0.00 H new ATOM 1847 N LEU B 44 0.652 14.376 2.137 1.00 0.00 N ATOM 1848 CA LEU B 44 -0.743 14.304 1.706 1.00 0.00 C ATOM 1849 C LEU B 44 -1.020 15.394 0.691 1.00 0.00 C ATOM 1850 O LEU B 44 -0.547 16.517 0.840 1.00 0.00 O ATOM 1851 CB LEU B 44 -1.699 14.500 2.884 1.00 0.00 C ATOM 1852 CG LEU B 44 -1.620 13.437 3.962 1.00 0.00 C ATOM 1853 CD1 LEU B 44 -2.417 13.854 5.187 1.00 0.00 C ATOM 1854 CD2 LEU B 44 -2.113 12.100 3.429 1.00 0.00 C ATOM 0 H LEU B 44 0.782 14.446 3.146 1.00 0.00 H new ATOM 0 HA LEU B 44 -0.904 13.317 1.272 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -1.497 15.470 3.337 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -2.719 14.532 2.502 1.00 0.00 H new ATOM 0 HG LEU B 44 -0.577 13.325 4.258 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -2.347 13.077 5.948 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -2.015 14.787 5.582 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -3.461 13.997 4.910 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -2.049 11.349 4.216 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.149 12.198 3.104 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -1.495 11.794 2.585 1.00 0.00 H new ATOM 1866 N ARG B 45 -1.808 15.088 -0.321 1.00 0.00 N ATOM 1867 CA ARG B 45 -2.151 16.088 -1.315 1.00 0.00 C ATOM 1868 C ARG B 45 -3.105 17.126 -0.756 1.00 0.00 C ATOM 1869 O ARG B 45 -3.487 18.058 -1.456 1.00 0.00 O ATOM 1870 CB ARG B 45 -2.712 15.470 -2.586 1.00 0.00 C ATOM 1871 CG ARG B 45 -1.649 14.812 -3.451 1.00 0.00 C ATOM 1872 CD ARG B 45 -2.038 14.862 -4.917 1.00 0.00 C ATOM 1873 NE ARG B 45 -3.395 14.392 -5.111 1.00 0.00 N ATOM 1874 CZ ARG B 45 -3.987 14.254 -6.301 1.00 0.00 C ATOM 1875 NH1 ARG B 45 -3.359 14.622 -7.412 1.00 0.00 N ATOM 1876 NH2 ARG B 45 -5.212 13.751 -6.378 1.00 0.00 N ATOM 0 H ARG B 45 -2.219 14.167 -0.477 1.00 0.00 H new ATOM 0 HA ARG B 45 -1.221 16.590 -1.581 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -3.465 14.728 -2.320 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -3.216 16.243 -3.166 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -0.693 15.316 -3.307 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -1.513 13.776 -3.142 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -1.947 15.883 -5.286 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -1.350 14.250 -5.500 1.00 0.00 H new ATOM 0 HE ARG B 45 -3.936 14.150 -4.281 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -2.418 15.013 -7.360 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -3.817 14.514 -8.317 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -5.702 13.470 -5.529 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -5.664 13.646 -7.286 1.00 0.00 H new ATOM 1890 N GLU B 46 -3.469 16.987 0.514 1.00 0.00 N ATOM 1891 CA GLU B 46 -4.238 18.030 1.169 1.00 0.00 C ATOM 1892 C GLU B 46 -3.298 19.138 1.620 1.00 0.00 C ATOM 1893 O GLU B 46 -3.725 20.234 1.970 1.00 0.00 O ATOM 1894 CB GLU B 46 -5.031 17.480 2.353 1.00 0.00 C ATOM 1895 CG GLU B 46 -6.201 16.600 1.945 1.00 0.00 C ATOM 1896 CD GLU B 46 -7.195 16.403 3.069 1.00 0.00 C ATOM 1897 OE1 GLU B 46 -7.940 17.358 3.377 1.00 0.00 O ATOM 1898 OE2 GLU B 46 -7.239 15.299 3.646 1.00 0.00 O ATOM 0 H GLU B 46 -3.248 16.180 1.097 1.00 0.00 H new ATOM 0 HA GLU B 46 -4.959 18.432 0.457 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -4.361 16.906 2.993 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -5.404 18.313 2.948 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -6.708 17.048 1.090 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -5.826 15.629 1.621 1.00 0.00 H new ATOM 1905 N ASN B 47 -2.003 18.832 1.588 1.00 0.00 N ATOM 1906 CA ASN B 47 -0.971 19.778 1.994 1.00 0.00 C ATOM 1907 C ASN B 47 0.093 19.897 0.903 1.00 0.00 C ATOM 1908 O ASN B 47 1.044 20.669 1.029 1.00 0.00 O ATOM 1909 CB ASN B 47 -0.318 19.315 3.305 1.00 0.00 C ATOM 1910 CG ASN B 47 -1.318 19.136 4.435 1.00 0.00 C ATOM 1911 OD1 ASN B 47 -2.300 19.870 4.538 1.00 0.00 O ATOM 1912 ND2 ASN B 47 -1.082 18.150 5.286 1.00 0.00 N ATOM 0 H ASN B 47 -1.643 17.928 1.282 1.00 0.00 H new ATOM 0 HA ASN B 47 -1.433 20.753 2.149 1.00 0.00 H new ATOM 0 HB2 ASN B 47 0.200 18.372 3.133 1.00 0.00 H new ATOM 0 HB3 ASN B 47 0.436 20.043 3.606 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -1.725 17.979 6.059 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -0.257 17.562 5.169 1.00 0.00 H new ATOM 1919 N LEU B 48 -0.094 19.135 -0.181 1.00 0.00 N ATOM 1920 CA LEU B 48 0.906 19.035 -1.248 1.00 0.00 C ATOM 1921 C LEU B 48 1.187 20.390 -1.891 1.00 0.00 C ATOM 1922 O LEU B 48 2.339 20.713 -2.177 1.00 0.00 O ATOM 1923 CB LEU B 48 0.474 18.023 -2.325 1.00 0.00 C ATOM 1924 CG LEU B 48 1.384 17.967 -3.553 1.00 0.00 C ATOM 1925 CD1 LEU B 48 2.720 17.336 -3.198 1.00 0.00 C ATOM 1926 CD2 LEU B 48 0.718 17.205 -4.686 1.00 0.00 C ATOM 0 H LEU B 48 -0.933 18.577 -0.342 1.00 0.00 H new ATOM 0 HA LEU B 48 1.827 18.682 -0.783 1.00 0.00 H new ATOM 0 HB2 LEU B 48 0.432 17.031 -1.876 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -0.537 18.269 -2.650 1.00 0.00 H new ATOM 0 HG LEU B 48 1.563 18.988 -3.890 1.00 0.00 H new ATOM 0 HD11 LEU B 48 3.354 17.305 -4.084 1.00 0.00 H new ATOM 0 HD12 LEU B 48 3.208 17.928 -2.423 1.00 0.00 H new ATOM 0 HD13 LEU B 48 2.558 16.322 -2.832 1.00 0.00 H new ATOM 0 HD21 LEU B 48 1.385 17.179 -5.548 1.00 0.00 H new ATOM 0 HD22 LEU B 48 0.503 16.187 -4.362 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -0.212 17.702 -4.962 1.00 0.00 H new ATOM 1938 N GLU B 49 0.141 21.188 -2.101 1.00 0.00 N ATOM 1939 CA GLU B 49 0.292 22.475 -2.775 1.00 0.00 C ATOM 1940 C GLU B 49 1.362 23.327 -2.097 1.00 0.00 C ATOM 1941 O GLU B 49 2.284 23.807 -2.750 1.00 0.00 O ATOM 1942 CB GLU B 49 -1.024 23.255 -2.801 1.00 0.00 C ATOM 1943 CG GLU B 49 -0.913 24.549 -3.589 1.00 0.00 C ATOM 1944 CD GLU B 49 -2.075 25.494 -3.369 1.00 0.00 C ATOM 1945 OE1 GLU B 49 -2.009 26.306 -2.425 1.00 0.00 O ATOM 1946 OE2 GLU B 49 -3.042 25.449 -4.156 1.00 0.00 O ATOM 0 H GLU B 49 -0.813 20.968 -1.816 1.00 0.00 H new ATOM 0 HA GLU B 49 0.595 22.260 -3.800 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -1.804 22.632 -3.238 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -1.331 23.480 -1.779 1.00 0.00 H new ATOM 0 HG2 GLU B 49 0.013 25.054 -3.313 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -0.843 24.313 -4.651 1.00 0.00 H new ATOM 1953 N ARG B 50 1.250 23.491 -0.783 1.00 0.00 N ATOM 1954 CA ARG B 50 2.168 24.349 -0.044 1.00 0.00 C ATOM 1955 C ARG B 50 3.600 23.847 -0.147 1.00 0.00 C ATOM 1956 O ARG B 50 4.529 24.641 -0.244 1.00 0.00 O ATOM 1957 CB ARG B 50 1.757 24.461 1.425 1.00 0.00 C ATOM 1958 CG ARG B 50 0.443 25.196 1.626 1.00 0.00 C ATOM 1959 CD ARG B 50 0.500 26.617 1.080 1.00 0.00 C ATOM 1960 NE ARG B 50 1.256 27.520 1.949 1.00 0.00 N ATOM 1961 CZ ARG B 50 2.445 28.038 1.648 1.00 0.00 C ATOM 1962 NH1 ARG B 50 3.062 27.693 0.527 1.00 0.00 N ATOM 1963 NH2 ARG B 50 3.023 28.893 2.479 1.00 0.00 N ATOM 0 H ARG B 50 0.535 23.043 -0.210 1.00 0.00 H new ATOM 0 HA ARG B 50 2.118 25.340 -0.496 1.00 0.00 H new ATOM 0 HB2 ARG B 50 1.674 23.460 1.849 1.00 0.00 H new ATOM 0 HB3 ARG B 50 2.542 24.977 1.977 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -0.359 24.648 1.131 1.00 0.00 H new ATOM 0 HG3 ARG B 50 0.201 25.224 2.688 1.00 0.00 H new ATOM 0 HD2 ARG B 50 0.955 26.605 0.090 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -0.514 26.998 0.960 1.00 0.00 H new ATOM 0 HE ARG B 50 0.843 27.770 2.848 1.00 0.00 H new ATOM 0 HH11 ARG B 50 2.626 27.027 -0.111 1.00 0.00 H new ATOM 0 HH12 ARG B 50 3.973 28.093 0.302 1.00 0.00 H new ATOM 0 HH21 ARG B 50 2.557 29.154 3.348 1.00 0.00 H new ATOM 0 HH22 ARG B 50 3.934 29.291 2.250 1.00 0.00 H new ATOM 1977 N TYR B 51 3.774 22.534 -0.159 1.00 0.00 N ATOM 1978 CA TYR B 51 5.107 21.952 -0.232 1.00 0.00 C ATOM 1979 C TYR B 51 5.755 22.293 -1.571 1.00 0.00 C ATOM 1980 O TYR B 51 6.929 22.675 -1.630 1.00 0.00 O ATOM 1981 CB TYR B 51 5.042 20.436 -0.032 1.00 0.00 C ATOM 1982 CG TYR B 51 6.344 19.834 0.453 1.00 0.00 C ATOM 1983 CD1 TYR B 51 7.361 19.504 -0.434 1.00 0.00 C ATOM 1984 CD2 TYR B 51 6.553 19.597 1.806 1.00 0.00 C ATOM 1985 CE1 TYR B 51 8.547 18.954 0.012 1.00 0.00 C ATOM 1986 CE2 TYR B 51 7.737 19.047 2.261 1.00 0.00 C ATOM 1987 CZ TYR B 51 8.731 18.727 1.361 1.00 0.00 C ATOM 1988 OH TYR B 51 9.915 18.184 1.810 1.00 0.00 O ATOM 0 H TYR B 51 3.014 21.854 -0.119 1.00 0.00 H new ATOM 0 HA TYR B 51 5.718 22.373 0.566 1.00 0.00 H new ATOM 0 HB2 TYR B 51 4.255 20.206 0.686 1.00 0.00 H new ATOM 0 HB3 TYR B 51 4.762 19.965 -0.974 1.00 0.00 H new ATOM 0 HD1 TYR B 51 7.222 19.681 -1.490 1.00 0.00 H new ATOM 0 HD2 TYR B 51 5.777 19.847 2.515 1.00 0.00 H new ATOM 0 HE1 TYR B 51 9.327 18.703 -0.692 1.00 0.00 H new ATOM 0 HE2 TYR B 51 7.882 18.869 3.316 1.00 0.00 H new ATOM 0 HH TYR B 51 9.985 18.308 2.780 1.00 0.00 H new ATOM 1998 N LEU B 52 4.979 22.182 -2.643 1.00 0.00 N ATOM 1999 CA LEU B 52 5.463 22.524 -3.976 1.00 0.00 C ATOM 2000 C LEU B 52 5.613 24.037 -4.123 1.00 0.00 C ATOM 2001 O LEU B 52 6.469 24.519 -4.862 1.00 0.00 O ATOM 2002 CB LEU B 52 4.501 22.005 -5.048 1.00 0.00 C ATOM 2003 CG LEU B 52 4.217 20.503 -5.015 1.00 0.00 C ATOM 2004 CD1 LEU B 52 3.285 20.117 -6.151 1.00 0.00 C ATOM 2005 CD2 LEU B 52 5.511 19.715 -5.104 1.00 0.00 C ATOM 0 H LEU B 52 4.012 21.858 -2.616 1.00 0.00 H new ATOM 0 HA LEU B 52 6.437 22.053 -4.109 1.00 0.00 H new ATOM 0 HB2 LEU B 52 3.555 22.537 -4.949 1.00 0.00 H new ATOM 0 HB3 LEU B 52 4.907 22.258 -6.027 1.00 0.00 H new ATOM 0 HG LEU B 52 3.731 20.264 -4.069 1.00 0.00 H new ATOM 0 HD11 LEU B 52 3.092 19.045 -6.115 1.00 0.00 H new ATOM 0 HD12 LEU B 52 2.345 20.659 -6.050 1.00 0.00 H new ATOM 0 HD13 LEU B 52 3.749 20.370 -7.104 1.00 0.00 H new ATOM 0 HD21 LEU B 52 5.290 18.648 -5.079 1.00 0.00 H new ATOM 0 HD22 LEU B 52 6.022 19.958 -6.036 1.00 0.00 H new ATOM 0 HD23 LEU B 52 6.152 19.972 -4.261 1.00 0.00 H new ATOM 2017 N ARG B 53 4.769 24.782 -3.428 1.00 0.00 N ATOM 2018 CA ARG B 53 4.846 26.239 -3.443 1.00 0.00 C ATOM 2019 C ARG B 53 6.161 26.716 -2.836 1.00 0.00 C ATOM 2020 O ARG B 53 6.722 27.724 -3.264 1.00 0.00 O ATOM 2021 CB ARG B 53 3.671 26.847 -2.677 1.00 0.00 C ATOM 2022 CG ARG B 53 2.339 26.723 -3.398 1.00 0.00 C ATOM 2023 CD ARG B 53 1.175 27.157 -2.518 1.00 0.00 C ATOM 2024 NE ARG B 53 1.252 28.564 -2.135 1.00 0.00 N ATOM 2025 CZ ARG B 53 0.200 29.386 -2.118 1.00 0.00 C ATOM 2026 NH1 ARG B 53 -1.020 28.924 -2.379 1.00 0.00 N ATOM 2027 NH2 ARG B 53 0.364 30.663 -1.808 1.00 0.00 N ATOM 0 H ARG B 53 4.022 24.405 -2.845 1.00 0.00 H new ATOM 0 HA ARG B 53 4.799 26.568 -4.481 1.00 0.00 H new ATOM 0 HB2 ARG B 53 3.593 26.362 -1.704 1.00 0.00 H new ATOM 0 HB3 ARG B 53 3.877 27.901 -2.492 1.00 0.00 H new ATOM 0 HG2 ARG B 53 2.357 27.332 -4.302 1.00 0.00 H new ATOM 0 HG3 ARG B 53 2.191 25.690 -3.712 1.00 0.00 H new ATOM 0 HD2 ARG B 53 0.239 26.980 -3.047 1.00 0.00 H new ATOM 0 HD3 ARG B 53 1.155 26.541 -1.619 1.00 0.00 H new ATOM 0 HE ARG B 53 2.161 28.940 -1.865 1.00 0.00 H new ATOM 0 HH11 ARG B 53 -1.156 27.936 -2.594 1.00 0.00 H new ATOM 0 HH12 ARG B 53 -1.819 29.558 -2.364 1.00 0.00 H new ATOM 0 HH21 ARG B 53 1.293 31.018 -1.583 1.00 0.00 H new ATOM 0 HH22 ARG B 53 -0.439 31.292 -1.795 1.00 0.00 H new ATOM 2041 N GLU B 54 6.650 25.974 -1.851 1.00 0.00 N ATOM 2042 CA GLU B 54 7.874 26.341 -1.153 1.00 0.00 C ATOM 2043 C GLU B 54 9.101 25.686 -1.800 1.00 0.00 C ATOM 2044 O GLU B 54 9.990 26.375 -2.305 1.00 0.00 O ATOM 2045 CB GLU B 54 7.778 25.946 0.326 1.00 0.00 C ATOM 2046 CG GLU B 54 6.547 26.503 1.036 1.00 0.00 C ATOM 2047 CD GLU B 54 6.447 28.012 0.950 1.00 0.00 C ATOM 2048 OE1 GLU B 54 7.213 28.705 1.650 1.00 0.00 O ATOM 2049 OE2 GLU B 54 5.582 28.516 0.198 1.00 0.00 O ATOM 0 H GLU B 54 6.217 25.113 -1.517 1.00 0.00 H new ATOM 0 HA GLU B 54 7.993 27.422 -1.226 1.00 0.00 H new ATOM 0 HB2 GLU B 54 7.768 24.859 0.402 1.00 0.00 H new ATOM 0 HB3 GLU B 54 8.672 26.293 0.844 1.00 0.00 H new ATOM 0 HG2 GLU B 54 5.651 26.060 0.601 1.00 0.00 H new ATOM 0 HG3 GLU B 54 6.573 26.205 2.084 1.00 0.00 H new ATOM 2056 N GLN B 55 9.139 24.355 -1.800 1.00 0.00 N ATOM 2057 CA GLN B 55 10.310 23.619 -2.280 1.00 0.00 C ATOM 2058 C GLN B 55 10.134 23.141 -3.723 1.00 0.00 C ATOM 2059 O GLN B 55 11.112 22.995 -4.455 1.00 0.00 O ATOM 2060 CB GLN B 55 10.601 22.433 -1.355 1.00 0.00 C ATOM 2061 CG GLN B 55 11.725 21.537 -1.849 1.00 0.00 C ATOM 2062 CD GLN B 55 12.309 20.656 -0.758 1.00 0.00 C ATOM 2063 OE1 GLN B 55 13.492 20.319 -0.785 1.00 0.00 O ATOM 2064 NE2 GLN B 55 11.492 20.280 0.212 1.00 0.00 N ATOM 0 H GLN B 55 8.375 23.764 -1.474 1.00 0.00 H new ATOM 0 HA GLN B 55 11.159 24.303 -2.267 1.00 0.00 H new ATOM 0 HB2 GLN B 55 10.857 22.810 -0.365 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.695 21.838 -1.245 1.00 0.00 H new ATOM 0 HG2 GLN B 55 11.351 20.906 -2.655 1.00 0.00 H new ATOM 0 HG3 GLN B 55 12.517 22.156 -2.270 1.00 0.00 H new ATOM 0 HE21 GLN B 55 10.517 20.579 0.202 1.00 0.00 H new ATOM 0 HE22 GLN B 55 11.837 19.691 0.970 1.00 0.00 H new ATOM 2073 N LEU B 56 8.884 22.896 -4.106 1.00 0.00 N ATOM 2074 CA LEU B 56 8.519 22.491 -5.472 1.00 0.00 C ATOM 2075 C LEU B 56 8.759 20.996 -5.709 1.00 0.00 C ATOM 2076 O LEU B 56 8.637 20.518 -6.831 1.00 0.00 O ATOM 2077 CB LEU B 56 9.238 23.341 -6.533 1.00 0.00 C ATOM 2078 CG LEU B 56 8.690 23.214 -7.958 1.00 0.00 C ATOM 2079 CD1 LEU B 56 7.277 23.771 -8.046 1.00 0.00 C ATOM 2080 CD2 LEU B 56 9.604 23.920 -8.942 1.00 0.00 C ATOM 0 H LEU B 56 8.085 22.972 -3.476 1.00 0.00 H new ATOM 0 HA LEU B 56 7.449 22.672 -5.575 1.00 0.00 H new ATOM 0 HB2 LEU B 56 9.184 24.388 -6.233 1.00 0.00 H new ATOM 0 HB3 LEU B 56 10.293 23.065 -6.541 1.00 0.00 H new ATOM 0 HG LEU B 56 8.654 22.156 -8.217 1.00 0.00 H new ATOM 0 HD11 LEU B 56 6.909 23.670 -9.067 1.00 0.00 H new ATOM 0 HD12 LEU B 56 6.625 23.219 -7.369 1.00 0.00 H new ATOM 0 HD13 LEU B 56 7.283 24.824 -7.765 1.00 0.00 H new ATOM 0 HD21 LEU B 56 9.200 23.820 -9.950 1.00 0.00 H new ATOM 0 HD22 LEU B 56 9.673 24.976 -8.682 1.00 0.00 H new ATOM 0 HD23 LEU B 56 10.597 23.471 -8.903 1.00 0.00 H new ATOM 2092 N GLY B 57 9.101 20.265 -4.655 1.00 0.00 N ATOM 2093 CA GLY B 57 9.070 18.811 -4.725 1.00 0.00 C ATOM 2094 C GLY B 57 10.375 18.157 -5.145 1.00 0.00 C ATOM 2095 O GLY B 57 10.443 16.939 -5.267 1.00 0.00 O ATOM 0 H GLY B 57 9.398 20.647 -3.757 1.00 0.00 H new ATOM 0 HA2 GLY B 57 8.785 18.422 -3.748 1.00 0.00 H new ATOM 0 HA3 GLY B 57 8.290 18.513 -5.426 1.00 0.00 H new ATOM 2099 N PHE B 58 11.409 18.941 -5.374 1.00 0.00 N ATOM 2100 CA PHE B 58 12.708 18.379 -5.730 1.00 0.00 C ATOM 2101 C PHE B 58 13.599 18.326 -4.499 1.00 0.00 C ATOM 2102 O PHE B 58 13.666 19.308 -3.759 1.00 0.00 O ATOM 2103 CB PHE B 58 13.404 19.244 -6.789 1.00 0.00 C ATOM 2104 CG PHE B 58 12.664 19.387 -8.090 1.00 0.00 C ATOM 2105 CD1 PHE B 58 11.602 20.268 -8.209 1.00 0.00 C ATOM 2106 CD2 PHE B 58 13.051 18.657 -9.200 1.00 0.00 C ATOM 2107 CE1 PHE B 58 10.937 20.415 -9.410 1.00 0.00 C ATOM 2108 CE2 PHE B 58 12.390 18.798 -10.403 1.00 0.00 C ATOM 2109 CZ PHE B 58 11.331 19.678 -10.509 1.00 0.00 C ATOM 0 H PHE B 58 11.383 19.959 -5.322 1.00 0.00 H new ATOM 0 HA PHE B 58 12.544 17.378 -6.128 1.00 0.00 H new ATOM 0 HB2 PHE B 58 13.568 20.238 -6.372 1.00 0.00 H new ATOM 0 HB3 PHE B 58 14.386 18.818 -6.994 1.00 0.00 H new ATOM 0 HD1 PHE B 58 11.290 20.847 -7.352 1.00 0.00 H new ATOM 0 HD2 PHE B 58 13.880 17.969 -9.124 1.00 0.00 H new ATOM 0 HE1 PHE B 58 10.110 21.105 -9.490 1.00 0.00 H new ATOM 0 HE2 PHE B 58 12.701 18.221 -11.261 1.00 0.00 H new ATOM 0 HZ PHE B 58 10.812 19.789 -11.450 1.00 0.00 H new ATOM 2119 N GLU B 59 14.303 17.217 -4.258 1.00 0.00 N ATOM 2120 CA GLU B 59 15.297 17.246 -3.198 1.00 0.00 C ATOM 2121 C GLU B 59 16.642 17.627 -3.780 1.00 0.00 C ATOM 2122 O GLU B 59 17.334 16.801 -4.379 1.00 0.00 O ATOM 2123 CB GLU B 59 15.408 15.912 -2.452 1.00 0.00 C ATOM 2124 CG GLU B 59 14.360 15.728 -1.369 1.00 0.00 C ATOM 2125 CD GLU B 59 14.876 14.936 -0.186 1.00 0.00 C ATOM 2126 OE1 GLU B 59 14.778 13.693 -0.198 1.00 0.00 O ATOM 2127 OE2 GLU B 59 15.395 15.560 0.766 1.00 0.00 O ATOM 0 H GLU B 59 14.208 16.333 -4.757 1.00 0.00 H new ATOM 0 HA GLU B 59 14.975 17.989 -2.469 1.00 0.00 H new ATOM 0 HB2 GLU B 59 15.322 15.096 -3.170 1.00 0.00 H new ATOM 0 HB3 GLU B 59 16.398 15.839 -2.003 1.00 0.00 H new ATOM 0 HG2 GLU B 59 14.021 16.706 -1.027 1.00 0.00 H new ATOM 0 HG3 GLU B 59 13.493 15.220 -1.791 1.00 0.00 H new ATOM 2134 N PHE B 60 17.014 18.881 -3.591 1.00 0.00 N ATOM 2135 CA PHE B 60 18.270 19.387 -4.108 1.00 0.00 C ATOM 2136 C PHE B 60 19.381 19.136 -3.113 1.00 0.00 C ATOM 2137 O PHE B 60 19.299 19.556 -1.955 1.00 0.00 O ATOM 2138 CB PHE B 60 18.173 20.881 -4.428 1.00 0.00 C ATOM 2139 CG PHE B 60 17.336 21.190 -5.635 1.00 0.00 C ATOM 2140 CD1 PHE B 60 17.730 20.757 -6.890 1.00 0.00 C ATOM 2141 CD2 PHE B 60 16.158 21.911 -5.517 1.00 0.00 C ATOM 2142 CE1 PHE B 60 16.965 21.035 -8.007 1.00 0.00 C ATOM 2143 CE2 PHE B 60 15.390 22.194 -6.631 1.00 0.00 C ATOM 2144 CZ PHE B 60 15.795 21.756 -7.878 1.00 0.00 C ATOM 0 H PHE B 60 16.460 19.569 -3.081 1.00 0.00 H new ATOM 0 HA PHE B 60 18.494 18.857 -5.034 1.00 0.00 H new ATOM 0 HB2 PHE B 60 17.756 21.401 -3.566 1.00 0.00 H new ATOM 0 HB3 PHE B 60 19.177 21.276 -4.583 1.00 0.00 H new ATOM 0 HD1 PHE B 60 18.646 20.195 -6.997 1.00 0.00 H new ATOM 0 HD2 PHE B 60 15.837 22.255 -4.545 1.00 0.00 H new ATOM 0 HE1 PHE B 60 17.282 20.689 -8.980 1.00 0.00 H new ATOM 0 HE2 PHE B 60 14.474 22.757 -6.527 1.00 0.00 H new ATOM 0 HZ PHE B 60 15.197 21.978 -8.750 1.00 0.00 H new ATOM 2154 N LYS B 61 20.401 18.428 -3.553 1.00 0.00 N ATOM 2155 CA LYS B 61 21.530 18.128 -2.700 1.00 0.00 C ATOM 2156 C LYS B 61 22.791 18.722 -3.304 1.00 0.00 C ATOM 2157 O LYS B 61 22.841 18.991 -4.504 1.00 0.00 O ATOM 2158 CB LYS B 61 21.684 16.614 -2.533 1.00 0.00 C ATOM 2159 CG LYS B 61 20.395 15.899 -2.151 1.00 0.00 C ATOM 2160 CD LYS B 61 19.882 16.341 -0.790 1.00 0.00 C ATOM 2161 CE LYS B 61 18.519 15.735 -0.494 1.00 0.00 C ATOM 2162 NZ LYS B 61 17.981 16.174 0.822 1.00 0.00 N ATOM 0 H LYS B 61 20.470 18.050 -4.498 1.00 0.00 H new ATOM 0 HA LYS B 61 21.362 18.566 -1.716 1.00 0.00 H new ATOM 0 HB2 LYS B 61 22.059 16.192 -3.466 1.00 0.00 H new ATOM 0 HB3 LYS B 61 22.436 16.418 -1.769 1.00 0.00 H new ATOM 0 HG2 LYS B 61 19.634 16.095 -2.907 1.00 0.00 H new ATOM 0 HG3 LYS B 61 20.566 14.823 -2.142 1.00 0.00 H new ATOM 0 HD2 LYS B 61 20.591 16.044 -0.017 1.00 0.00 H new ATOM 0 HD3 LYS B 61 19.814 17.428 -0.759 1.00 0.00 H new ATOM 0 HE2 LYS B 61 17.820 16.016 -1.282 1.00 0.00 H new ATOM 0 HE3 LYS B 61 18.596 14.648 -0.508 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 17.016 15.805 0.943 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 18.589 15.811 1.584 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 17.961 17.213 0.860 1.00 0.00 H new ATOM 2176 N ASN B 62 23.794 18.944 -2.479 1.00 0.00 N ATOM 2177 CA ASN B 62 25.053 19.498 -2.951 1.00 0.00 C ATOM 2178 C ASN B 62 26.221 18.752 -2.351 1.00 0.00 C ATOM 2179 O ASN B 62 26.216 18.410 -1.167 1.00 0.00 O ATOM 2180 CB ASN B 62 25.167 20.988 -2.614 1.00 0.00 C ATOM 2181 CG ASN B 62 24.493 21.881 -3.638 1.00 0.00 C ATOM 2182 OD1 ASN B 62 23.933 22.923 -3.295 1.00 0.00 O ATOM 2183 ND2 ASN B 62 24.564 21.498 -4.906 1.00 0.00 N ATOM 0 H ASN B 62 23.765 18.750 -1.478 1.00 0.00 H new ATOM 0 HA ASN B 62 25.074 19.386 -4.035 1.00 0.00 H new ATOM 0 HB2 ASN B 62 24.723 21.168 -1.635 1.00 0.00 H new ATOM 0 HB3 ASN B 62 26.220 21.259 -2.541 1.00 0.00 H new ATOM 0 HD21 ASN B 62 24.146 22.074 -5.637 1.00 0.00 H new ATOM 0 HD22 ASN B 62 25.037 20.628 -5.150 1.00 0.00 H new ATOM 2190 N ALA B 63 27.212 18.485 -3.179 1.00 0.00 N ATOM 2191 CA ALA B 63 28.437 17.857 -2.725 1.00 0.00 C ATOM 2192 C ALA B 63 29.382 18.909 -2.168 1.00 0.00 C ATOM 2193 O ALA B 63 29.904 18.780 -1.060 1.00 0.00 O ATOM 2194 CB ALA B 63 29.093 17.108 -3.870 1.00 0.00 C ATOM 0 H ALA B 63 27.192 18.695 -4.177 1.00 0.00 H new ATOM 0 HA ALA B 63 28.201 17.145 -1.934 1.00 0.00 H new ATOM 0 HB1 ALA B 63 30.013 16.640 -3.519 1.00 0.00 H new ATOM 0 HB2 ALA B 63 28.413 16.340 -4.240 1.00 0.00 H new ATOM 0 HB3 ALA B 63 29.325 17.805 -4.675 1.00 0.00 H new ATOM 2200 N GLN B 64 29.576 19.963 -2.945 1.00 0.00 N ATOM 2201 CA GLN B 64 30.497 21.035 -2.587 1.00 0.00 C ATOM 2202 C GLN B 64 30.231 22.272 -3.437 1.00 0.00 C ATOM 2203 O GLN B 64 30.929 23.278 -3.327 1.00 0.00 O ATOM 2204 CB GLN B 64 31.943 20.573 -2.796 1.00 0.00 C ATOM 2205 CG GLN B 64 32.200 20.035 -4.195 1.00 0.00 C ATOM 2206 CD GLN B 64 33.649 19.667 -4.439 1.00 0.00 C ATOM 2207 OE1 GLN B 64 34.563 20.270 -3.875 1.00 0.00 O ATOM 2208 NE2 GLN B 64 33.868 18.669 -5.279 1.00 0.00 N ATOM 0 H GLN B 64 29.103 20.101 -3.838 1.00 0.00 H new ATOM 0 HA GLN B 64 30.343 21.287 -1.538 1.00 0.00 H new ATOM 0 HB2 GLN B 64 32.616 21.408 -2.605 1.00 0.00 H new ATOM 0 HB3 GLN B 64 32.180 19.799 -2.066 1.00 0.00 H new ATOM 0 HG2 GLN B 64 31.577 19.156 -4.359 1.00 0.00 H new ATOM 0 HG3 GLN B 64 31.894 20.783 -4.926 1.00 0.00 H new ATOM 0 HE21 GLN B 64 33.082 18.196 -5.725 1.00 0.00 H new ATOM 0 HE22 GLN B 64 34.823 18.372 -5.481 1.00 0.00 H new ATOM 2217 N LEU B 65 29.215 22.196 -4.283 1.00 0.00 N ATOM 2218 CA LEU B 65 28.975 23.242 -5.261 1.00 0.00 C ATOM 2219 C LEU B 65 27.788 24.111 -4.879 1.00 0.00 C ATOM 2220 O LEU B 65 26.643 23.774 -5.176 1.00 0.00 O ATOM 2221 CB LEU B 65 28.742 22.632 -6.645 1.00 0.00 C ATOM 2222 CG LEU B 65 29.920 21.848 -7.226 1.00 0.00 C ATOM 2223 CD1 LEU B 65 29.540 21.232 -8.563 1.00 0.00 C ATOM 2224 CD2 LEU B 65 31.136 22.750 -7.384 1.00 0.00 C ATOM 0 H LEU B 65 28.548 21.425 -4.311 1.00 0.00 H new ATOM 0 HA LEU B 65 29.862 23.874 -5.285 1.00 0.00 H new ATOM 0 HB2 LEU B 65 27.879 21.969 -6.590 1.00 0.00 H new ATOM 0 HB3 LEU B 65 28.485 23.433 -7.337 1.00 0.00 H new ATOM 0 HG LEU B 65 30.174 21.045 -6.534 1.00 0.00 H new ATOM 0 HD11 LEU B 65 30.389 20.678 -8.963 1.00 0.00 H new ATOM 0 HD12 LEU B 65 28.697 20.555 -8.425 1.00 0.00 H new ATOM 0 HD13 LEU B 65 29.261 22.021 -9.261 1.00 0.00 H new ATOM 0 HD21 LEU B 65 31.964 22.175 -7.799 1.00 0.00 H new ATOM 0 HD22 LEU B 65 30.894 23.573 -8.056 1.00 0.00 H new ATOM 0 HD23 LEU B 65 31.422 23.148 -6.411 1.00 0.00 H new