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 21 GLN : amide:sc= 0.878 K(o=0.53,f=-2.2!) USER MOD Set 1.2: B 35 TYR OH : rot 180:sc= -0.344 USER MOD Set 2.1: A 21 GLN : amide:sc= 0.631 K(o=0.9,f=-0.57) USER MOD Set 2.2: A 35 TYR OH : rot 180:sc= 0.265 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 8:sc= 0.924 USER MOD Single : A 47 ASN : amide:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 51 TYR OH : rot -148:sc= 0.735 USER MOD Single : A 55 GLN : amide:sc= -0.244 X(o=-0.24,f=-0.053) USER MOD Single : A 61 LYS NZ :NH3+ 147:sc= -3.01! (180deg=-4.41!) USER MOD Single : A 62 ASN : amide:sc= -0.288 X(o=-0.29,f=-0.7) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 ASN : amide:sc= 0.715 K(o=0.72,f=-0.2) USER MOD Single : B 51 TYR OH : rot -133:sc= 1.26 USER MOD Single : B 55 GLN : amide:sc= -0.325 K(o=-0.33,f=-0.98) USER MOD Single : B 61 LYS NZ :NH3+ 167:sc= 0.626 (180deg=0.211) USER MOD Single : B 62 ASN : amide:sc= -0.0084 K(o=-0.0084,f=-1.1) USER MOD Single : B 64 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD ----------------------------------------------------------------- ATOM 297 N ASP A 19 27.021 3.768 4.991 1.00 0.00 N ATOM 298 CA ASP A 19 26.035 4.587 4.299 1.00 0.00 C ATOM 299 C ASP A 19 26.612 5.124 2.994 1.00 0.00 C ATOM 300 O ASP A 19 27.162 6.222 2.940 1.00 0.00 O ATOM 301 CB ASP A 19 25.546 5.738 5.183 1.00 0.00 C ATOM 302 CG ASP A 19 24.439 6.541 4.523 1.00 0.00 C ATOM 303 OD1 ASP A 19 23.579 5.937 3.849 1.00 0.00 O ATOM 304 OD2 ASP A 19 24.415 7.781 4.682 1.00 0.00 O ATOM 0 HA ASP A 19 25.177 3.955 4.070 1.00 0.00 H new ATOM 0 HB2 ASP A 19 25.186 5.338 6.131 1.00 0.00 H new ATOM 0 HB3 ASP A 19 26.383 6.398 5.413 1.00 0.00 H new ATOM 309 N VAL A 20 26.526 4.304 1.960 1.00 0.00 N ATOM 310 CA VAL A 20 26.995 4.671 0.635 1.00 0.00 C ATOM 311 C VAL A 20 25.835 4.552 -0.350 1.00 0.00 C ATOM 312 O VAL A 20 24.980 3.679 -0.201 1.00 0.00 O ATOM 313 CB VAL A 20 28.172 3.772 0.181 1.00 0.00 C ATOM 314 CG1 VAL A 20 28.733 4.239 -1.156 1.00 0.00 C ATOM 315 CG2 VAL A 20 29.269 3.747 1.237 1.00 0.00 C ATOM 0 H VAL A 20 26.129 3.366 2.016 1.00 0.00 H new ATOM 0 HA VAL A 20 27.359 5.698 0.665 1.00 0.00 H new ATOM 0 HB VAL A 20 27.789 2.759 0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 20 29.558 3.590 -1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 20 27.950 4.198 -1.913 1.00 0.00 H new ATOM 0 HG13 VAL A 20 29.093 5.264 -1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 20 30.086 3.110 0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 20 29.641 4.759 1.399 1.00 0.00 H new ATOM 0 HG23 VAL A 20 28.866 3.355 2.171 1.00 0.00 H new ATOM 325 N GLN A 21 25.792 5.434 -1.335 1.00 0.00 N ATOM 326 CA GLN A 21 24.679 5.482 -2.269 1.00 0.00 C ATOM 327 C GLN A 21 25.181 5.590 -3.702 1.00 0.00 C ATOM 328 O GLN A 21 26.162 6.282 -3.979 1.00 0.00 O ATOM 329 CB GLN A 21 23.779 6.677 -1.931 1.00 0.00 C ATOM 330 CG GLN A 21 24.552 7.980 -1.832 1.00 0.00 C ATOM 331 CD GLN A 21 23.724 9.149 -1.348 1.00 0.00 C ATOM 332 OE1 GLN A 21 22.741 8.986 -0.628 1.00 0.00 O ATOM 333 NE2 GLN A 21 24.145 10.345 -1.720 1.00 0.00 N ATOM 0 H GLN A 21 26.518 6.129 -1.509 1.00 0.00 H new ATOM 0 HA GLN A 21 24.105 4.560 -2.180 1.00 0.00 H new ATOM 0 HB2 GLN A 21 23.007 6.774 -2.695 1.00 0.00 H new ATOM 0 HB3 GLN A 21 23.270 6.488 -0.986 1.00 0.00 H new ATOM 0 HG2 GLN A 21 25.395 7.840 -1.156 1.00 0.00 H new ATOM 0 HG3 GLN A 21 24.965 8.221 -2.811 1.00 0.00 H new ATOM 0 HE21 GLN A 21 24.966 10.433 -2.319 1.00 0.00 H new ATOM 0 HE22 GLN A 21 23.649 11.180 -1.408 1.00 0.00 H new ATOM 342 N ILE A 22 24.531 4.879 -4.605 1.00 0.00 N ATOM 343 CA ILE A 22 24.804 5.025 -6.021 1.00 0.00 C ATOM 344 C ILE A 22 23.588 5.639 -6.707 1.00 0.00 C ATOM 345 O ILE A 22 22.461 5.479 -6.239 1.00 0.00 O ATOM 346 CB ILE A 22 25.154 3.675 -6.692 1.00 0.00 C ATOM 347 CG1 ILE A 22 26.405 3.057 -6.073 1.00 0.00 C ATOM 348 CG2 ILE A 22 25.378 3.864 -8.179 1.00 0.00 C ATOM 349 CD1 ILE A 22 26.910 1.858 -6.846 1.00 0.00 C ATOM 0 H ILE A 22 23.809 4.194 -4.381 1.00 0.00 H new ATOM 0 HA ILE A 22 25.671 5.676 -6.128 1.00 0.00 H new ATOM 0 HB ILE A 22 24.312 3.002 -6.531 1.00 0.00 H new ATOM 0 HG12 ILE A 22 27.191 3.810 -6.025 1.00 0.00 H new ATOM 0 HG13 ILE A 22 26.188 2.757 -5.048 1.00 0.00 H new ATOM 0 HG21 ILE A 22 25.623 2.905 -8.635 1.00 0.00 H new ATOM 0 HG22 ILE A 22 24.472 4.262 -8.636 1.00 0.00 H new ATOM 0 HG23 ILE A 22 26.200 4.562 -8.337 1.00 0.00 H new ATOM 0 HD11 ILE A 22 27.801 1.460 -6.360 1.00 0.00 H new ATOM 0 HD12 ILE A 22 26.137 1.090 -6.872 1.00 0.00 H new ATOM 0 HD13 ILE A 22 27.156 2.159 -7.864 1.00 0.00 H new ATOM 361 N ASP A 23 23.815 6.350 -7.799 1.00 0.00 N ATOM 362 CA ASP A 23 22.737 7.002 -8.515 1.00 0.00 C ATOM 363 C ASP A 23 22.014 6.009 -9.430 1.00 0.00 C ATOM 364 O ASP A 23 22.364 4.827 -9.489 1.00 0.00 O ATOM 365 CB ASP A 23 23.284 8.171 -9.332 1.00 0.00 C ATOM 366 CG ASP A 23 23.669 7.787 -10.747 1.00 0.00 C ATOM 367 OD1 ASP A 23 24.547 6.915 -10.925 1.00 0.00 O ATOM 368 OD2 ASP A 23 23.057 8.341 -11.683 1.00 0.00 O ATOM 0 H ASP A 23 24.739 6.489 -8.208 1.00 0.00 H new ATOM 0 HA ASP A 23 22.019 7.381 -7.788 1.00 0.00 H new ATOM 0 HB2 ASP A 23 22.534 8.961 -9.369 1.00 0.00 H new ATOM 0 HB3 ASP A 23 24.157 8.583 -8.825 1.00 0.00 H new ATOM 373 N PHE A 24 21.005 6.509 -10.131 1.00 0.00 N ATOM 374 CA PHE A 24 20.212 5.726 -11.068 1.00 0.00 C ATOM 375 C PHE A 24 21.090 5.076 -12.137 1.00 0.00 C ATOM 376 O PHE A 24 20.838 3.944 -12.557 1.00 0.00 O ATOM 377 CB PHE A 24 19.172 6.642 -11.730 1.00 0.00 C ATOM 378 CG PHE A 24 18.236 5.947 -12.683 1.00 0.00 C ATOM 379 CD1 PHE A 24 17.072 5.358 -12.219 1.00 0.00 C ATOM 380 CD2 PHE A 24 18.512 5.897 -14.042 1.00 0.00 C ATOM 381 CE1 PHE A 24 16.203 4.729 -13.087 1.00 0.00 C ATOM 382 CE2 PHE A 24 17.643 5.269 -14.916 1.00 0.00 C ATOM 383 CZ PHE A 24 16.488 4.685 -14.437 1.00 0.00 C ATOM 0 H PHE A 24 20.711 7.483 -10.063 1.00 0.00 H new ATOM 0 HA PHE A 24 19.714 4.927 -10.519 1.00 0.00 H new ATOM 0 HB2 PHE A 24 18.583 7.123 -10.949 1.00 0.00 H new ATOM 0 HB3 PHE A 24 19.695 7.433 -12.268 1.00 0.00 H new ATOM 0 HD1 PHE A 24 16.841 5.391 -11.164 1.00 0.00 H new ATOM 0 HD2 PHE A 24 19.415 6.353 -14.421 1.00 0.00 H new ATOM 0 HE1 PHE A 24 15.300 4.271 -12.710 1.00 0.00 H new ATOM 0 HE2 PHE A 24 17.868 5.236 -15.972 1.00 0.00 H new ATOM 0 HZ PHE A 24 15.808 4.194 -15.117 1.00 0.00 H new ATOM 393 N TYR A 25 22.117 5.795 -12.572 1.00 0.00 N ATOM 394 CA TYR A 25 22.981 5.327 -13.642 1.00 0.00 C ATOM 395 C TYR A 25 23.858 4.163 -13.183 1.00 0.00 C ATOM 396 O TYR A 25 23.988 3.158 -13.886 1.00 0.00 O ATOM 397 CB TYR A 25 23.856 6.473 -14.153 1.00 0.00 C ATOM 398 CG TYR A 25 24.613 6.130 -15.410 1.00 0.00 C ATOM 399 CD1 TYR A 25 23.978 6.164 -16.641 1.00 0.00 C ATOM 400 CD2 TYR A 25 25.949 5.757 -15.367 1.00 0.00 C ATOM 401 CE1 TYR A 25 24.654 5.839 -17.800 1.00 0.00 C ATOM 402 CE2 TYR A 25 26.632 5.426 -16.519 1.00 0.00 C ATOM 403 CZ TYR A 25 25.980 5.469 -17.733 1.00 0.00 C ATOM 404 OH TYR A 25 26.656 5.128 -18.880 1.00 0.00 O ATOM 0 H TYR A 25 22.371 6.709 -12.196 1.00 0.00 H new ATOM 0 HA TYR A 25 22.345 4.970 -14.452 1.00 0.00 H new ATOM 0 HB2 TYR A 25 23.228 7.344 -14.341 1.00 0.00 H new ATOM 0 HB3 TYR A 25 24.566 6.754 -13.375 1.00 0.00 H new ATOM 0 HD1 TYR A 25 22.938 6.449 -16.695 1.00 0.00 H new ATOM 0 HD2 TYR A 25 26.462 5.725 -14.417 1.00 0.00 H new ATOM 0 HE1 TYR A 25 24.147 5.874 -18.753 1.00 0.00 H new ATOM 0 HE2 TYR A 25 27.671 5.135 -16.470 1.00 0.00 H new ATOM 0 HH TYR A 25 27.581 4.894 -18.657 1.00 0.00 H new ATOM 414 N GLY A 26 24.451 4.287 -12.004 1.00 0.00 N ATOM 415 CA GLY A 26 25.354 3.265 -11.528 1.00 0.00 C ATOM 416 C GLY A 26 26.719 3.829 -11.215 1.00 0.00 C ATOM 417 O GLY A 26 27.690 3.085 -11.076 1.00 0.00 O ATOM 0 H GLY A 26 24.322 5.077 -11.371 1.00 0.00 H new ATOM 0 HA2 GLY A 26 24.939 2.800 -10.634 1.00 0.00 H new ATOM 0 HA3 GLY A 26 25.447 2.482 -12.281 1.00 0.00 H new ATOM 421 N ASP A 27 26.794 5.145 -11.102 1.00 0.00 N ATOM 422 CA ASP A 27 28.024 5.798 -10.695 1.00 0.00 C ATOM 423 C ASP A 27 27.929 6.117 -9.210 1.00 0.00 C ATOM 424 O ASP A 27 26.907 6.630 -8.747 1.00 0.00 O ATOM 425 CB ASP A 27 28.261 7.075 -11.508 1.00 0.00 C ATOM 426 CG ASP A 27 29.711 7.524 -11.468 1.00 0.00 C ATOM 427 OD1 ASP A 27 30.251 7.729 -10.363 1.00 0.00 O ATOM 428 OD2 ASP A 27 30.325 7.664 -12.548 1.00 0.00 O ATOM 0 H ASP A 27 26.018 5.780 -11.287 1.00 0.00 H new ATOM 0 HA ASP A 27 28.869 5.135 -10.879 1.00 0.00 H new ATOM 0 HB2 ASP A 27 27.964 6.904 -12.543 1.00 0.00 H new ATOM 0 HB3 ASP A 27 27.626 7.872 -11.122 1.00 0.00 H new ATOM 433 N GLU A 28 28.969 5.792 -8.461 1.00 0.00 N ATOM 434 CA GLU A 28 28.928 5.950 -7.016 1.00 0.00 C ATOM 435 C GLU A 28 28.891 7.426 -6.639 1.00 0.00 C ATOM 436 O GLU A 28 29.766 8.202 -7.028 1.00 0.00 O ATOM 437 CB GLU A 28 30.128 5.275 -6.365 1.00 0.00 C ATOM 438 CG GLU A 28 29.970 5.110 -4.865 1.00 0.00 C ATOM 439 CD GLU A 28 31.262 4.709 -4.188 1.00 0.00 C ATOM 440 OE1 GLU A 28 31.533 3.492 -4.088 1.00 0.00 O ATOM 441 OE2 GLU A 28 32.015 5.606 -3.761 1.00 0.00 O ATOM 0 H GLU A 28 29.846 5.420 -8.825 1.00 0.00 H new ATOM 0 HA GLU A 28 28.019 5.472 -6.650 1.00 0.00 H new ATOM 0 HB2 GLU A 28 30.279 4.296 -6.819 1.00 0.00 H new ATOM 0 HB3 GLU A 28 31.024 5.862 -6.569 1.00 0.00 H new ATOM 0 HG2 GLU A 28 29.613 6.046 -4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 28 29.209 4.356 -4.664 1.00 0.00 H new ATOM 448 N VAL A 29 27.880 7.804 -5.872 1.00 0.00 N ATOM 449 CA VAL A 29 27.677 9.195 -5.504 1.00 0.00 C ATOM 450 C VAL A 29 28.000 9.415 -4.029 1.00 0.00 C ATOM 451 O VAL A 29 27.255 8.993 -3.145 1.00 0.00 O ATOM 452 CB VAL A 29 26.225 9.640 -5.786 1.00 0.00 C ATOM 453 CG1 VAL A 29 26.039 11.118 -5.488 1.00 0.00 C ATOM 454 CG2 VAL A 29 25.839 9.338 -7.225 1.00 0.00 C ATOM 0 H VAL A 29 27.184 7.162 -5.491 1.00 0.00 H new ATOM 0 HA VAL A 29 28.352 9.797 -6.113 1.00 0.00 H new ATOM 0 HB VAL A 29 25.569 9.074 -5.125 1.00 0.00 H new ATOM 0 HG11 VAL A 29 25.008 11.404 -5.695 1.00 0.00 H new ATOM 0 HG12 VAL A 29 26.265 11.309 -4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 29 26.711 11.703 -6.116 1.00 0.00 H new ATOM 0 HG21 VAL A 29 24.813 9.660 -7.402 1.00 0.00 H new ATOM 0 HG22 VAL A 29 26.508 9.871 -7.901 1.00 0.00 H new ATOM 0 HG23 VAL A 29 25.920 8.266 -7.406 1.00 0.00 H new ATOM 464 N THR A 30 29.118 10.069 -3.774 1.00 0.00 N ATOM 465 CA THR A 30 29.547 10.340 -2.413 1.00 0.00 C ATOM 466 C THR A 30 29.110 11.742 -1.984 1.00 0.00 C ATOM 467 O THR A 30 28.669 12.532 -2.816 1.00 0.00 O ATOM 468 CB THR A 30 31.077 10.177 -2.270 1.00 0.00 C ATOM 469 OG1 THR A 30 31.765 10.904 -3.296 1.00 0.00 O ATOM 470 CG2 THR A 30 31.466 8.709 -2.334 1.00 0.00 C ATOM 0 H THR A 30 29.748 10.424 -4.494 1.00 0.00 H new ATOM 0 HA THR A 30 29.070 9.613 -1.756 1.00 0.00 H new ATOM 0 HB THR A 30 31.367 10.580 -1.300 1.00 0.00 H new ATOM 0 HG1 THR A 30 31.123 11.448 -3.798 1.00 0.00 H new ATOM 0 HG21 THR A 30 32.547 8.614 -2.232 1.00 0.00 H new ATOM 0 HG22 THR A 30 30.976 8.167 -1.525 1.00 0.00 H new ATOM 0 HG23 THR A 30 31.154 8.291 -3.291 1.00 0.00 H new ATOM 478 N PRO A 31 29.201 12.057 -0.677 1.00 0.00 N ATOM 479 CA PRO A 31 28.797 13.369 -0.129 1.00 0.00 C ATOM 480 C PRO A 31 29.435 14.573 -0.836 1.00 0.00 C ATOM 481 O PRO A 31 28.971 15.699 -0.689 1.00 0.00 O ATOM 482 CB PRO A 31 29.279 13.309 1.321 1.00 0.00 C ATOM 483 CG PRO A 31 29.308 11.858 1.654 1.00 0.00 C ATOM 484 CD PRO A 31 29.672 11.143 0.383 1.00 0.00 C ATOM 0 HA PRO A 31 27.725 13.521 -0.254 1.00 0.00 H new ATOM 0 HB2 PRO A 31 30.266 13.759 1.428 1.00 0.00 H new ATOM 0 HB3 PRO A 31 28.607 13.853 1.984 1.00 0.00 H new ATOM 0 HG2 PRO A 31 30.037 11.653 2.438 1.00 0.00 H new ATOM 0 HG3 PRO A 31 28.339 11.524 2.024 1.00 0.00 H new ATOM 0 HD2 PRO A 31 30.746 10.969 0.314 1.00 0.00 H new ATOM 0 HD3 PRO A 31 29.187 10.169 0.318 1.00 0.00 H new ATOM 492 N VAL A 32 30.498 14.339 -1.595 1.00 0.00 N ATOM 493 CA VAL A 32 31.190 15.422 -2.287 1.00 0.00 C ATOM 494 C VAL A 32 30.695 15.580 -3.724 1.00 0.00 C ATOM 495 O VAL A 32 31.194 16.422 -4.475 1.00 0.00 O ATOM 496 CB VAL A 32 32.719 15.204 -2.293 1.00 0.00 C ATOM 497 CG1 VAL A 32 33.271 15.255 -0.876 1.00 0.00 C ATOM 498 CG2 VAL A 32 33.080 13.885 -2.964 1.00 0.00 C ATOM 0 H VAL A 32 30.899 13.414 -1.748 1.00 0.00 H new ATOM 0 HA VAL A 32 30.965 16.335 -1.736 1.00 0.00 H new ATOM 0 HB VAL A 32 33.174 16.010 -2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 32 34.350 15.099 -0.900 1.00 0.00 H new ATOM 0 HG12 VAL A 32 33.054 16.228 -0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 32 32.805 14.474 -0.276 1.00 0.00 H new ATOM 0 HG21 VAL A 32 34.162 13.756 -2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 32 32.612 13.062 -2.424 1.00 0.00 H new ATOM 0 HG23 VAL A 32 32.724 13.892 -3.994 1.00 0.00 H new ATOM 508 N ASP A 33 29.705 14.787 -4.103 1.00 0.00 N ATOM 509 CA ASP A 33 29.167 14.835 -5.457 1.00 0.00 C ATOM 510 C ASP A 33 27.811 15.521 -5.459 1.00 0.00 C ATOM 511 O ASP A 33 27.082 15.473 -4.469 1.00 0.00 O ATOM 512 CB ASP A 33 29.041 13.427 -6.051 1.00 0.00 C ATOM 513 CG ASP A 33 30.369 12.704 -6.136 1.00 0.00 C ATOM 514 OD1 ASP A 33 31.242 13.140 -6.915 1.00 0.00 O ATOM 515 OD2 ASP A 33 30.552 11.696 -5.421 1.00 0.00 O ATOM 0 H ASP A 33 29.257 14.102 -3.494 1.00 0.00 H new ATOM 0 HA ASP A 33 29.860 15.407 -6.075 1.00 0.00 H new ATOM 0 HB2 ASP A 33 28.352 12.841 -5.442 1.00 0.00 H new ATOM 0 HB3 ASP A 33 28.606 13.496 -7.048 1.00 0.00 H new ATOM 520 N ASP A 34 27.477 16.170 -6.569 1.00 0.00 N ATOM 521 CA ASP A 34 26.194 16.851 -6.686 1.00 0.00 C ATOM 522 C ASP A 34 25.185 15.938 -7.358 1.00 0.00 C ATOM 523 O ASP A 34 25.386 15.487 -8.490 1.00 0.00 O ATOM 524 CB ASP A 34 26.315 18.164 -7.471 1.00 0.00 C ATOM 525 CG ASP A 34 27.306 19.142 -6.859 1.00 0.00 C ATOM 526 OD1 ASP A 34 26.943 19.836 -5.891 1.00 0.00 O ATOM 527 OD2 ASP A 34 28.450 19.241 -7.359 1.00 0.00 O ATOM 0 H ASP A 34 28.072 16.239 -7.395 1.00 0.00 H new ATOM 0 HA ASP A 34 25.855 17.097 -5.680 1.00 0.00 H new ATOM 0 HB2 ASP A 34 26.620 17.941 -8.494 1.00 0.00 H new ATOM 0 HB3 ASP A 34 25.335 18.638 -7.526 1.00 0.00 H new ATOM 532 N TYR A 35 24.103 15.659 -6.657 1.00 0.00 N ATOM 533 CA TYR A 35 23.066 14.792 -7.182 1.00 0.00 C ATOM 534 C TYR A 35 21.701 15.304 -6.757 1.00 0.00 C ATOM 535 O TYR A 35 21.590 16.093 -5.822 1.00 0.00 O ATOM 536 CB TYR A 35 23.264 13.349 -6.703 1.00 0.00 C ATOM 537 CG TYR A 35 22.945 13.125 -5.240 1.00 0.00 C ATOM 538 CD1 TYR A 35 23.849 13.473 -4.244 1.00 0.00 C ATOM 539 CD2 TYR A 35 21.739 12.552 -4.859 1.00 0.00 C ATOM 540 CE1 TYR A 35 23.560 13.250 -2.912 1.00 0.00 C ATOM 541 CE2 TYR A 35 21.442 12.330 -3.531 1.00 0.00 C ATOM 542 CZ TYR A 35 22.353 12.681 -2.561 1.00 0.00 C ATOM 543 OH TYR A 35 22.060 12.450 -1.237 1.00 0.00 O ATOM 0 H TYR A 35 23.919 16.021 -5.721 1.00 0.00 H new ATOM 0 HA TYR A 35 23.128 14.799 -8.270 1.00 0.00 H new ATOM 0 HB2 TYR A 35 22.637 12.691 -7.304 1.00 0.00 H new ATOM 0 HB3 TYR A 35 24.298 13.057 -6.885 1.00 0.00 H new ATOM 0 HD1 TYR A 35 24.792 13.925 -4.515 1.00 0.00 H new ATOM 0 HD2 TYR A 35 21.021 12.275 -5.616 1.00 0.00 H new ATOM 0 HE1 TYR A 35 24.275 13.520 -2.149 1.00 0.00 H new ATOM 0 HE2 TYR A 35 20.499 11.883 -3.253 1.00 0.00 H new ATOM 0 HH TYR A 35 21.170 12.046 -1.165 1.00 0.00 H new ATOM 553 N VAL A 36 20.671 14.859 -7.443 1.00 0.00 N ATOM 554 CA VAL A 36 19.315 15.245 -7.109 1.00 0.00 C ATOM 555 C VAL A 36 18.437 14.010 -7.057 1.00 0.00 C ATOM 556 O VAL A 36 18.530 13.138 -7.917 1.00 0.00 O ATOM 557 CB VAL A 36 18.746 16.264 -8.123 1.00 0.00 C ATOM 558 CG1 VAL A 36 17.278 16.560 -7.857 1.00 0.00 C ATOM 559 CG2 VAL A 36 19.557 17.550 -8.096 1.00 0.00 C ATOM 0 H VAL A 36 20.746 14.226 -8.240 1.00 0.00 H new ATOM 0 HA VAL A 36 19.328 15.729 -6.132 1.00 0.00 H new ATOM 0 HB VAL A 36 18.821 15.818 -9.115 1.00 0.00 H new ATOM 0 HG11 VAL A 36 16.913 17.280 -8.590 1.00 0.00 H new ATOM 0 HG12 VAL A 36 16.701 15.639 -7.936 1.00 0.00 H new ATOM 0 HG13 VAL A 36 17.166 16.974 -6.855 1.00 0.00 H new ATOM 0 HG21 VAL A 36 19.143 18.256 -8.816 1.00 0.00 H new ATOM 0 HG22 VAL A 36 19.517 17.984 -7.097 1.00 0.00 H new ATOM 0 HG23 VAL A 36 20.593 17.332 -8.356 1.00 0.00 H new ATOM 569 N ILE A 37 17.616 13.924 -6.028 1.00 0.00 N ATOM 570 CA ILE A 37 16.712 12.801 -5.872 1.00 0.00 C ATOM 571 C ILE A 37 15.338 13.150 -6.424 1.00 0.00 C ATOM 572 O ILE A 37 14.711 14.120 -5.992 1.00 0.00 O ATOM 573 CB ILE A 37 16.600 12.363 -4.393 1.00 0.00 C ATOM 574 CG1 ILE A 37 17.915 11.740 -3.922 1.00 0.00 C ATOM 575 CG2 ILE A 37 15.449 11.391 -4.198 1.00 0.00 C ATOM 576 CD1 ILE A 37 17.877 11.262 -2.487 1.00 0.00 C ATOM 0 H ILE A 37 17.557 14.621 -5.285 1.00 0.00 H new ATOM 0 HA ILE A 37 17.121 11.963 -6.437 1.00 0.00 H new ATOM 0 HB ILE A 37 16.398 13.248 -3.790 1.00 0.00 H new ATOM 0 HG12 ILE A 37 18.162 10.899 -4.570 1.00 0.00 H new ATOM 0 HG13 ILE A 37 18.715 12.473 -4.031 1.00 0.00 H new ATOM 0 HG21 ILE A 37 15.393 11.099 -3.149 1.00 0.00 H new ATOM 0 HG22 ILE A 37 14.515 11.870 -4.492 1.00 0.00 H new ATOM 0 HG23 ILE A 37 15.612 10.506 -4.813 1.00 0.00 H new ATOM 0 HD11 ILE A 37 18.843 10.832 -2.221 1.00 0.00 H new ATOM 0 HD12 ILE A 37 17.661 12.104 -1.829 1.00 0.00 H new ATOM 0 HD13 ILE A 37 17.100 10.506 -2.376 1.00 0.00 H new ATOM 588 N ASP A 38 14.889 12.363 -7.388 1.00 0.00 N ATOM 589 CA ASP A 38 13.589 12.582 -8.009 1.00 0.00 C ATOM 590 C ASP A 38 12.532 11.804 -7.248 1.00 0.00 C ATOM 591 O ASP A 38 12.265 10.639 -7.538 1.00 0.00 O ATOM 592 CB ASP A 38 13.612 12.168 -9.486 1.00 0.00 C ATOM 593 CG ASP A 38 12.257 12.280 -10.175 1.00 0.00 C ATOM 594 OD1 ASP A 38 11.740 13.409 -10.307 1.00 0.00 O ATOM 595 OD2 ASP A 38 11.724 11.238 -10.621 1.00 0.00 O ATOM 0 H ASP A 38 15.405 11.565 -7.759 1.00 0.00 H new ATOM 0 HA ASP A 38 13.349 13.645 -7.969 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.332 12.790 -10.017 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.963 11.139 -9.560 1.00 0.00 H new ATOM 600 N GLY A 39 12.002 12.431 -6.208 1.00 0.00 N ATOM 601 CA GLY A 39 10.974 11.808 -5.399 1.00 0.00 C ATOM 602 C GLY A 39 11.524 10.790 -4.417 1.00 0.00 C ATOM 603 O GLY A 39 11.104 10.743 -3.265 1.00 0.00 O ATOM 0 H GLY A 39 12.269 13.369 -5.908 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.435 12.580 -4.849 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.252 11.320 -6.053 1.00 0.00 H new ATOM 607 N GLY A 40 12.491 10.007 -4.862 1.00 0.00 N ATOM 608 CA GLY A 40 13.010 8.918 -4.068 1.00 0.00 C ATOM 609 C GLY A 40 14.208 8.268 -4.733 1.00 0.00 C ATOM 610 O GLY A 40 15.086 7.733 -4.056 1.00 0.00 O ATOM 0 H GLY A 40 12.932 10.110 -5.776 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.295 9.288 -3.083 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.229 8.173 -3.915 1.00 0.00 H new ATOM 614 N GLU A 41 14.244 8.329 -6.061 1.00 0.00 N ATOM 615 CA GLU A 41 15.366 7.802 -6.823 1.00 0.00 C ATOM 616 C GLU A 41 16.518 8.804 -6.856 1.00 0.00 C ATOM 617 O GLU A 41 16.318 9.999 -7.053 1.00 0.00 O ATOM 618 CB GLU A 41 14.936 7.472 -8.252 1.00 0.00 C ATOM 619 CG GLU A 41 13.802 6.456 -8.340 1.00 0.00 C ATOM 620 CD GLU A 41 14.148 5.134 -7.690 1.00 0.00 C ATOM 621 OE1 GLU A 41 15.286 4.649 -7.882 1.00 0.00 O ATOM 622 OE2 GLU A 41 13.277 4.556 -7.005 1.00 0.00 O ATOM 0 H GLU A 41 13.505 8.740 -6.631 1.00 0.00 H new ATOM 0 HA GLU A 41 15.705 6.890 -6.331 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.626 8.391 -8.748 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.797 7.089 -8.800 1.00 0.00 H new ATOM 0 HG2 GLU A 41 12.913 6.868 -7.863 1.00 0.00 H new ATOM 0 HG3 GLU A 41 13.552 6.286 -9.387 1.00 0.00 H new ATOM 629 N ILE A 42 17.718 8.292 -6.652 1.00 0.00 N ATOM 630 CA ILE A 42 18.931 9.101 -6.702 1.00 0.00 C ATOM 631 C ILE A 42 19.445 9.160 -8.133 1.00 0.00 C ATOM 632 O ILE A 42 19.476 8.143 -8.811 1.00 0.00 O ATOM 633 CB ILE A 42 20.042 8.495 -5.804 1.00 0.00 C ATOM 634 CG1 ILE A 42 19.605 8.462 -4.340 1.00 0.00 C ATOM 635 CG2 ILE A 42 21.341 9.279 -5.951 1.00 0.00 C ATOM 636 CD1 ILE A 42 20.523 7.646 -3.455 1.00 0.00 C ATOM 0 H ILE A 42 17.883 7.307 -6.447 1.00 0.00 H new ATOM 0 HA ILE A 42 18.686 10.100 -6.341 1.00 0.00 H new ATOM 0 HB ILE A 42 20.216 7.470 -6.132 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.559 9.482 -3.960 1.00 0.00 H new ATOM 0 HG13 ILE A 42 18.596 8.053 -4.279 1.00 0.00 H new ATOM 0 HG21 ILE A 42 22.107 8.838 -5.313 1.00 0.00 H new ATOM 0 HG22 ILE A 42 21.671 9.246 -6.989 1.00 0.00 H new ATOM 0 HG23 ILE A 42 21.176 10.315 -5.656 1.00 0.00 H new ATOM 0 HD11 ILE A 42 20.153 7.666 -2.430 1.00 0.00 H new ATOM 0 HD12 ILE A 42 20.550 6.616 -3.811 1.00 0.00 H new ATOM 0 HD13 ILE A 42 21.528 8.067 -3.486 1.00 0.00 H new ATOM 648 N ILE A 43 19.814 10.343 -8.609 1.00 0.00 N ATOM 649 CA ILE A 43 20.460 10.459 -9.914 1.00 0.00 C ATOM 650 C ILE A 43 21.598 11.472 -9.833 1.00 0.00 C ATOM 651 O ILE A 43 21.440 12.545 -9.243 1.00 0.00 O ATOM 652 CB ILE A 43 19.499 10.903 -11.054 1.00 0.00 C ATOM 653 CG1 ILE A 43 18.093 10.309 -10.900 1.00 0.00 C ATOM 654 CG2 ILE A 43 20.078 10.502 -12.406 1.00 0.00 C ATOM 655 CD1 ILE A 43 17.190 11.120 -9.996 1.00 0.00 C ATOM 0 H ILE A 43 19.680 11.227 -8.119 1.00 0.00 H new ATOM 0 HA ILE A 43 20.821 9.460 -10.159 1.00 0.00 H new ATOM 0 HB ILE A 43 19.405 11.987 -10.992 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.631 10.229 -11.884 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.176 9.297 -10.504 1.00 0.00 H new ATOM 0 HG21 ILE A 43 19.400 10.816 -13.200 1.00 0.00 H new ATOM 0 HG22 ILE A 43 21.046 10.983 -12.544 1.00 0.00 H new ATOM 0 HG23 ILE A 43 20.202 9.420 -12.442 1.00 0.00 H new ATOM 0 HD11 ILE A 43 16.213 10.641 -9.934 1.00 0.00 H new ATOM 0 HD12 ILE A 43 17.630 11.179 -9.000 1.00 0.00 H new ATOM 0 HD13 ILE A 43 17.076 12.125 -10.402 1.00 0.00 H new ATOM 667 N LEU A 44 22.744 11.127 -10.407 1.00 0.00 N ATOM 668 CA LEU A 44 23.856 12.060 -10.489 1.00 0.00 C ATOM 669 C LEU A 44 23.466 13.196 -11.425 1.00 0.00 C ATOM 670 O LEU A 44 22.759 12.971 -12.407 1.00 0.00 O ATOM 671 CB LEU A 44 25.121 11.357 -10.987 1.00 0.00 C ATOM 672 CG LEU A 44 26.415 12.168 -10.860 1.00 0.00 C ATOM 673 CD1 LEU A 44 26.696 12.504 -9.404 1.00 0.00 C ATOM 674 CD2 LEU A 44 27.581 11.401 -11.459 1.00 0.00 C ATOM 0 H LEU A 44 22.925 10.212 -10.820 1.00 0.00 H new ATOM 0 HA LEU A 44 24.074 12.458 -9.498 1.00 0.00 H new ATOM 0 HB2 LEU A 44 25.240 10.425 -10.434 1.00 0.00 H new ATOM 0 HB3 LEU A 44 24.980 11.091 -12.035 1.00 0.00 H new ATOM 0 HG LEU A 44 26.291 13.100 -11.411 1.00 0.00 H new ATOM 0 HD11 LEU A 44 27.619 13.080 -9.335 1.00 0.00 H new ATOM 0 HD12 LEU A 44 25.871 13.091 -9.000 1.00 0.00 H new ATOM 0 HD13 LEU A 44 26.800 11.582 -8.831 1.00 0.00 H new ATOM 0 HD21 LEU A 44 28.493 11.990 -11.361 1.00 0.00 H new ATOM 0 HD22 LEU A 44 27.702 10.454 -10.933 1.00 0.00 H new ATOM 0 HD23 LEU A 44 27.386 11.207 -12.514 1.00 0.00 H new ATOM 686 N ARG A 45 23.923 14.408 -11.137 1.00 0.00 N ATOM 687 CA ARG A 45 23.431 15.588 -11.847 1.00 0.00 C ATOM 688 C ARG A 45 23.794 15.612 -13.335 1.00 0.00 C ATOM 689 O ARG A 45 23.329 16.485 -14.066 1.00 0.00 O ATOM 690 CB ARG A 45 23.881 16.871 -11.149 1.00 0.00 C ATOM 691 CG ARG A 45 23.025 17.209 -9.944 1.00 0.00 C ATOM 692 CD ARG A 45 23.347 18.579 -9.378 1.00 0.00 C ATOM 693 NE ARG A 45 23.044 19.667 -10.316 1.00 0.00 N ATOM 694 CZ ARG A 45 23.972 20.362 -10.984 1.00 0.00 C ATOM 695 NH1 ARG A 45 25.254 20.018 -10.905 1.00 0.00 N ATOM 696 NH2 ARG A 45 23.611 21.388 -11.748 1.00 0.00 N ATOM 0 H ARG A 45 24.627 14.602 -10.424 1.00 0.00 H new ATOM 0 HA ARG A 45 22.343 15.528 -11.810 1.00 0.00 H new ATOM 0 HB2 ARG A 45 24.919 16.764 -10.834 1.00 0.00 H new ATOM 0 HB3 ARG A 45 23.846 17.698 -11.858 1.00 0.00 H new ATOM 0 HG2 ARG A 45 21.973 17.173 -10.226 1.00 0.00 H new ATOM 0 HG3 ARG A 45 23.174 16.455 -9.172 1.00 0.00 H new ATOM 0 HD2 ARG A 45 22.781 18.730 -8.459 1.00 0.00 H new ATOM 0 HD3 ARG A 45 24.403 18.618 -9.112 1.00 0.00 H new ATOM 0 HE ARG A 45 22.065 19.908 -10.468 1.00 0.00 H new ATOM 0 HH11 ARG A 45 25.534 19.221 -10.333 1.00 0.00 H new ATOM 0 HH12 ARG A 45 25.958 20.551 -11.416 1.00 0.00 H new ATOM 0 HH21 ARG A 45 22.627 21.645 -11.825 1.00 0.00 H new ATOM 0 HH22 ARG A 45 24.318 21.918 -12.257 1.00 0.00 H new ATOM 710 N GLU A 46 24.598 14.658 -13.795 1.00 0.00 N ATOM 711 CA GLU A 46 24.849 14.520 -15.225 1.00 0.00 C ATOM 712 C GLU A 46 23.637 13.896 -15.908 1.00 0.00 C ATOM 713 O GLU A 46 22.981 14.524 -16.741 1.00 0.00 O ATOM 714 CB GLU A 46 26.082 13.656 -15.503 1.00 0.00 C ATOM 715 CG GLU A 46 26.397 13.542 -16.990 1.00 0.00 C ATOM 716 CD GLU A 46 27.437 12.491 -17.306 1.00 0.00 C ATOM 717 OE1 GLU A 46 28.635 12.744 -17.065 1.00 0.00 O ATOM 718 OE2 GLU A 46 27.062 11.414 -17.813 1.00 0.00 O ATOM 0 H GLU A 46 25.081 13.978 -13.208 1.00 0.00 H new ATOM 0 HA GLU A 46 25.033 15.518 -15.623 1.00 0.00 H new ATOM 0 HB2 GLU A 46 26.942 14.080 -14.985 1.00 0.00 H new ATOM 0 HB3 GLU A 46 25.922 12.659 -15.092 1.00 0.00 H new ATOM 0 HG2 GLU A 46 25.480 13.309 -17.531 1.00 0.00 H new ATOM 0 HG3 GLU A 46 26.745 14.508 -17.355 1.00 0.00 H new ATOM 725 N ASN A 47 23.334 12.661 -15.524 1.00 0.00 N ATOM 726 CA ASN A 47 22.226 11.909 -16.113 1.00 0.00 C ATOM 727 C ASN A 47 20.896 12.461 -15.627 1.00 0.00 C ATOM 728 O ASN A 47 19.838 12.175 -16.195 1.00 0.00 O ATOM 729 CB ASN A 47 22.349 10.425 -15.756 1.00 0.00 C ATOM 730 CG ASN A 47 23.624 9.811 -16.297 1.00 0.00 C ATOM 731 OD1 ASN A 47 24.675 9.866 -15.657 1.00 0.00 O ATOM 732 ND2 ASN A 47 23.538 9.208 -17.472 1.00 0.00 N ATOM 0 H ASN A 47 23.844 12.153 -14.801 1.00 0.00 H new ATOM 0 HA ASN A 47 22.268 12.013 -17.197 1.00 0.00 H new ATOM 0 HB2 ASN A 47 22.324 10.310 -14.672 1.00 0.00 H new ATOM 0 HB3 ASN A 47 21.490 9.885 -16.154 1.00 0.00 H new ATOM 0 HD21 ASN A 47 24.362 8.766 -17.880 1.00 0.00 H new ATOM 0 HD22 ASN A 47 22.648 9.185 -17.970 1.00 0.00 H new ATOM 739 N LEU A 48 20.975 13.262 -14.572 1.00 0.00 N ATOM 740 CA LEU A 48 19.819 13.935 -14.002 1.00 0.00 C ATOM 741 C LEU A 48 19.039 14.692 -15.066 1.00 0.00 C ATOM 742 O LEU A 48 17.813 14.653 -15.090 1.00 0.00 O ATOM 743 CB LEU A 48 20.281 14.917 -12.929 1.00 0.00 C ATOM 744 CG LEU A 48 19.166 15.633 -12.179 1.00 0.00 C ATOM 745 CD1 LEU A 48 18.538 14.700 -11.161 1.00 0.00 C ATOM 746 CD2 LEU A 48 19.700 16.885 -11.512 1.00 0.00 C ATOM 0 H LEU A 48 21.849 13.463 -14.086 1.00 0.00 H new ATOM 0 HA LEU A 48 19.166 13.178 -13.568 1.00 0.00 H new ATOM 0 HB2 LEU A 48 20.895 14.378 -12.207 1.00 0.00 H new ATOM 0 HB3 LEU A 48 20.921 15.665 -13.396 1.00 0.00 H new ATOM 0 HG LEU A 48 18.395 15.931 -12.890 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.742 15.223 -10.631 1.00 0.00 H new ATOM 0 HD12 LEU A 48 18.124 13.830 -11.671 1.00 0.00 H new ATOM 0 HD13 LEU A 48 19.296 14.375 -10.448 1.00 0.00 H new ATOM 0 HD21 LEU A 48 18.892 17.387 -10.980 1.00 0.00 H new ATOM 0 HD22 LEU A 48 20.486 16.615 -10.807 1.00 0.00 H new ATOM 0 HD23 LEU A 48 20.107 17.555 -12.269 1.00 0.00 H new ATOM 758 N GLU A 49 19.762 15.375 -15.949 1.00 0.00 N ATOM 759 CA GLU A 49 19.144 16.205 -16.975 1.00 0.00 C ATOM 760 C GLU A 49 18.245 15.377 -17.890 1.00 0.00 C ATOM 761 O GLU A 49 17.120 15.776 -18.200 1.00 0.00 O ATOM 762 CB GLU A 49 20.219 16.925 -17.792 1.00 0.00 C ATOM 763 CG GLU A 49 21.086 17.857 -16.959 1.00 0.00 C ATOM 764 CD GLU A 49 22.066 18.647 -17.798 1.00 0.00 C ATOM 765 OE1 GLU A 49 21.628 19.570 -18.516 1.00 0.00 O ATOM 766 OE2 GLU A 49 23.279 18.360 -17.737 1.00 0.00 O ATOM 0 H GLU A 49 20.782 15.369 -15.973 1.00 0.00 H new ATOM 0 HA GLU A 49 18.521 16.948 -16.478 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.855 16.184 -18.275 1.00 0.00 H new ATOM 0 HB3 GLU A 49 19.739 17.499 -18.585 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.446 18.547 -16.409 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.635 17.273 -16.220 1.00 0.00 H new ATOM 773 N ARG A 50 18.733 14.212 -18.303 1.00 0.00 N ATOM 774 CA ARG A 50 17.967 13.339 -19.180 1.00 0.00 C ATOM 775 C ARG A 50 16.801 12.710 -18.427 1.00 0.00 C ATOM 776 O ARG A 50 15.684 12.622 -18.944 1.00 0.00 O ATOM 777 CB ARG A 50 18.860 12.244 -19.766 1.00 0.00 C ATOM 778 CG ARG A 50 18.167 11.412 -20.834 1.00 0.00 C ATOM 779 CD ARG A 50 18.874 11.526 -22.177 1.00 0.00 C ATOM 780 NE ARG A 50 19.111 12.918 -22.559 1.00 0.00 N ATOM 781 CZ ARG A 50 19.477 13.309 -23.779 1.00 0.00 C ATOM 782 NH1 ARG A 50 19.526 12.436 -24.778 1.00 0.00 N ATOM 783 NH2 ARG A 50 19.766 14.584 -23.998 1.00 0.00 N ATOM 0 H ARG A 50 19.652 13.853 -18.045 1.00 0.00 H new ATOM 0 HA ARG A 50 17.572 13.944 -19.996 1.00 0.00 H new ATOM 0 HB2 ARG A 50 19.752 12.702 -20.194 1.00 0.00 H new ATOM 0 HB3 ARG A 50 19.193 11.587 -18.962 1.00 0.00 H new ATOM 0 HG2 ARG A 50 18.141 10.368 -20.523 1.00 0.00 H new ATOM 0 HG3 ARG A 50 17.133 11.740 -20.937 1.00 0.00 H new ATOM 0 HD2 ARG A 50 19.826 10.996 -22.131 1.00 0.00 H new ATOM 0 HD3 ARG A 50 18.274 11.037 -22.945 1.00 0.00 H new ATOM 0 HE ARG A 50 18.988 13.636 -21.845 1.00 0.00 H new ATOM 0 HH11 ARG A 50 19.283 11.459 -24.614 1.00 0.00 H new ATOM 0 HH12 ARG A 50 19.807 12.742 -25.710 1.00 0.00 H new ATOM 0 HH21 ARG A 50 19.707 15.259 -23.235 1.00 0.00 H new ATOM 0 HH22 ARG A 50 20.047 14.891 -24.929 1.00 0.00 H new ATOM 797 N TYR A 51 17.059 12.296 -17.195 1.00 0.00 N ATOM 798 CA TYR A 51 16.040 11.642 -16.393 1.00 0.00 C ATOM 799 C TYR A 51 14.905 12.610 -16.065 1.00 0.00 C ATOM 800 O TYR A 51 13.734 12.260 -16.174 1.00 0.00 O ATOM 801 CB TYR A 51 16.647 11.066 -15.114 1.00 0.00 C ATOM 802 CG TYR A 51 15.625 10.440 -14.194 1.00 0.00 C ATOM 803 CD1 TYR A 51 15.018 9.228 -14.505 1.00 0.00 C ATOM 804 CD2 TYR A 51 15.264 11.069 -13.017 1.00 0.00 C ATOM 805 CE1 TYR A 51 14.077 8.666 -13.661 1.00 0.00 C ATOM 806 CE2 TYR A 51 14.330 10.516 -12.171 1.00 0.00 C ATOM 807 CZ TYR A 51 13.737 9.318 -12.493 1.00 0.00 C ATOM 808 OH TYR A 51 12.802 8.773 -11.642 1.00 0.00 O ATOM 0 H TYR A 51 17.962 12.401 -16.732 1.00 0.00 H new ATOM 0 HA TYR A 51 15.626 10.818 -16.975 1.00 0.00 H new ATOM 0 HB2 TYR A 51 17.393 10.317 -15.380 1.00 0.00 H new ATOM 0 HB3 TYR A 51 17.169 11.859 -14.579 1.00 0.00 H new ATOM 0 HD1 TYR A 51 15.285 8.718 -15.419 1.00 0.00 H new ATOM 0 HD2 TYR A 51 15.723 12.011 -12.757 1.00 0.00 H new ATOM 0 HE1 TYR A 51 13.612 7.725 -13.914 1.00 0.00 H new ATOM 0 HE2 TYR A 51 14.063 11.022 -11.255 1.00 0.00 H new ATOM 0 HH TYR A 51 12.316 9.492 -11.186 1.00 0.00 H new ATOM 818 N LEU A 52 15.253 13.832 -15.690 1.00 0.00 N ATOM 819 CA LEU A 52 14.249 14.835 -15.354 1.00 0.00 C ATOM 820 C LEU A 52 13.513 15.317 -16.593 1.00 0.00 C ATOM 821 O LEU A 52 12.394 15.815 -16.500 1.00 0.00 O ATOM 822 CB LEU A 52 14.880 16.019 -14.624 1.00 0.00 C ATOM 823 CG LEU A 52 15.324 15.729 -13.192 1.00 0.00 C ATOM 824 CD1 LEU A 52 15.865 16.992 -12.540 1.00 0.00 C ATOM 825 CD2 LEU A 52 14.163 15.159 -12.389 1.00 0.00 C ATOM 0 H LEU A 52 16.218 14.154 -15.610 1.00 0.00 H new ATOM 0 HA LEU A 52 13.527 14.361 -14.689 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.744 16.360 -15.195 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.164 16.841 -14.608 1.00 0.00 H new ATOM 0 HG LEU A 52 16.124 14.989 -13.213 1.00 0.00 H new ATOM 0 HD11 LEU A 52 16.177 16.770 -11.520 1.00 0.00 H new ATOM 0 HD12 LEU A 52 16.719 17.358 -13.109 1.00 0.00 H new ATOM 0 HD13 LEU A 52 15.087 17.755 -12.523 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.491 14.956 -11.369 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.345 15.879 -12.371 1.00 0.00 H new ATOM 0 HD23 LEU A 52 13.821 14.233 -12.851 1.00 0.00 H new ATOM 837 N ARG A 53 14.136 15.177 -17.752 1.00 0.00 N ATOM 838 CA ARG A 53 13.478 15.521 -19.002 1.00 0.00 C ATOM 839 C ARG A 53 12.376 14.513 -19.318 1.00 0.00 C ATOM 840 O ARG A 53 11.253 14.889 -19.661 1.00 0.00 O ATOM 841 CB ARG A 53 14.484 15.558 -20.153 1.00 0.00 C ATOM 842 CG ARG A 53 13.836 15.809 -21.504 1.00 0.00 C ATOM 843 CD ARG A 53 14.819 15.634 -22.647 1.00 0.00 C ATOM 844 NE ARG A 53 15.841 16.674 -22.663 1.00 0.00 N ATOM 845 CZ ARG A 53 16.837 16.718 -23.541 1.00 0.00 C ATOM 846 NH1 ARG A 53 16.986 15.741 -24.432 1.00 0.00 N ATOM 847 NH2 ARG A 53 17.688 17.735 -23.516 1.00 0.00 N ATOM 0 H ARG A 53 15.090 14.830 -17.853 1.00 0.00 H new ATOM 0 HA ARG A 53 13.037 16.511 -18.889 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.220 16.338 -19.959 1.00 0.00 H new ATOM 0 HB3 ARG A 53 15.024 14.612 -20.186 1.00 0.00 H new ATOM 0 HG2 ARG A 53 12.999 15.124 -21.638 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.428 16.819 -21.528 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.298 14.658 -22.565 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.278 15.645 -23.593 1.00 0.00 H new ATOM 0 HE ARG A 53 15.788 17.410 -21.959 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.335 14.956 -24.442 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.752 15.777 -25.105 1.00 0.00 H new ATOM 0 HH21 ARG A 53 17.576 18.477 -22.825 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.455 17.775 -24.187 1.00 0.00 H new ATOM 861 N GLU A 54 12.707 13.235 -19.187 1.00 0.00 N ATOM 862 CA GLU A 54 11.777 12.162 -19.523 1.00 0.00 C ATOM 863 C GLU A 54 10.782 11.889 -18.400 1.00 0.00 C ATOM 864 O GLU A 54 9.621 11.571 -18.665 1.00 0.00 O ATOM 865 CB GLU A 54 12.542 10.878 -19.862 1.00 0.00 C ATOM 866 CG GLU A 54 12.802 10.684 -21.350 1.00 0.00 C ATOM 867 CD GLU A 54 13.519 11.857 -21.986 1.00 0.00 C ATOM 868 OE1 GLU A 54 12.832 12.793 -22.444 1.00 0.00 O ATOM 869 OE2 GLU A 54 14.767 11.842 -22.037 1.00 0.00 O ATOM 0 H GLU A 54 13.615 12.914 -18.850 1.00 0.00 H new ATOM 0 HA GLU A 54 11.211 12.491 -20.395 1.00 0.00 H new ATOM 0 HB2 GLU A 54 13.496 10.887 -19.335 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.979 10.023 -19.488 1.00 0.00 H new ATOM 0 HG2 GLU A 54 13.396 9.781 -21.494 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.852 10.526 -21.861 1.00 0.00 H new ATOM 876 N GLN A 55 11.223 12.006 -17.148 1.00 0.00 N ATOM 877 CA GLN A 55 10.357 11.687 -16.026 1.00 0.00 C ATOM 878 C GLN A 55 9.717 12.942 -15.446 1.00 0.00 C ATOM 879 O GLN A 55 8.505 13.131 -15.590 1.00 0.00 O ATOM 880 CB GLN A 55 11.159 10.965 -14.930 1.00 0.00 C ATOM 881 CG GLN A 55 10.327 10.571 -13.718 1.00 0.00 C ATOM 882 CD GLN A 55 9.209 9.608 -14.069 1.00 0.00 C ATOM 883 OE1 GLN A 55 9.400 8.391 -14.060 1.00 0.00 O ATOM 884 NE2 GLN A 55 8.038 10.139 -14.380 1.00 0.00 N ATOM 0 H GLN A 55 12.161 12.315 -16.893 1.00 0.00 H new ATOM 0 HA GLN A 55 9.564 11.034 -16.391 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.612 10.069 -15.355 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.975 11.611 -14.605 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.975 10.114 -12.970 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.902 11.467 -13.266 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.920 11.152 -14.376 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.253 9.535 -14.624 1.00 0.00 H new ATOM 893 N LEU A 56 10.540 13.808 -14.835 1.00 0.00 N ATOM 894 CA LEU A 56 10.044 14.984 -14.110 1.00 0.00 C ATOM 895 C LEU A 56 8.847 14.574 -13.248 1.00 0.00 C ATOM 896 O LEU A 56 7.845 15.286 -13.154 1.00 0.00 O ATOM 897 CB LEU A 56 9.649 16.086 -15.101 1.00 0.00 C ATOM 898 CG LEU A 56 10.109 17.505 -14.739 1.00 0.00 C ATOM 899 CD1 LEU A 56 9.833 18.455 -15.891 1.00 0.00 C ATOM 900 CD2 LEU A 56 9.412 17.996 -13.482 1.00 0.00 C ATOM 0 H LEU A 56 11.556 13.714 -14.830 1.00 0.00 H new ATOM 0 HA LEU A 56 10.829 15.376 -13.464 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.055 15.831 -16.080 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.563 16.090 -15.198 1.00 0.00 H new ATOM 0 HG LEU A 56 11.182 17.477 -14.549 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.164 19.458 -15.622 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.373 18.120 -16.776 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.764 18.470 -16.102 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.755 19.004 -13.246 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.334 18.008 -13.645 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.646 17.329 -12.652 1.00 0.00 H new ATOM 912 N GLY A 57 8.967 13.409 -12.625 1.00 0.00 N ATOM 913 CA GLY A 57 7.813 12.781 -12.025 1.00 0.00 C ATOM 914 C GLY A 57 7.802 12.802 -10.516 1.00 0.00 C ATOM 915 O GLY A 57 6.729 12.711 -9.921 1.00 0.00 O ATOM 0 H GLY A 57 9.840 12.892 -12.526 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.914 13.279 -12.389 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.763 11.745 -12.362 1.00 0.00 H new ATOM 919 N PHE A 58 8.976 12.911 -9.886 1.00 0.00 N ATOM 920 CA PHE A 58 9.058 12.837 -8.426 1.00 0.00 C ATOM 921 C PHE A 58 8.464 11.510 -8.015 1.00 0.00 C ATOM 922 O PHE A 58 8.513 10.546 -8.784 1.00 0.00 O ATOM 923 CB PHE A 58 8.282 13.992 -7.773 1.00 0.00 C ATOM 924 CG PHE A 58 8.359 15.300 -8.524 1.00 0.00 C ATOM 925 CD1 PHE A 58 9.509 15.672 -9.206 1.00 0.00 C ATOM 926 CD2 PHE A 58 7.266 16.156 -8.551 1.00 0.00 C ATOM 927 CE1 PHE A 58 9.568 16.867 -9.894 1.00 0.00 C ATOM 928 CE2 PHE A 58 7.322 17.354 -9.238 1.00 0.00 C ATOM 929 CZ PHE A 58 8.473 17.709 -9.909 1.00 0.00 C ATOM 0 H PHE A 58 9.870 13.049 -10.357 1.00 0.00 H new ATOM 0 HA PHE A 58 10.095 12.920 -8.100 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.235 13.703 -7.679 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.663 14.144 -6.763 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.369 15.018 -9.198 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.361 15.882 -8.029 1.00 0.00 H new ATOM 0 HE1 PHE A 58 10.470 17.144 -10.420 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.465 18.011 -9.249 1.00 0.00 H new ATOM 0 HZ PHE A 58 8.518 18.645 -10.446 1.00 0.00 H new ATOM 939 N GLU A 59 7.910 11.416 -6.830 1.00 0.00 N ATOM 940 CA GLU A 59 7.044 10.282 -6.579 1.00 0.00 C ATOM 941 C GLU A 59 5.604 10.730 -6.379 1.00 0.00 C ATOM 942 O GLU A 59 5.230 11.193 -5.301 1.00 0.00 O ATOM 943 CB GLU A 59 7.526 9.461 -5.391 1.00 0.00 C ATOM 944 CG GLU A 59 8.894 8.831 -5.602 1.00 0.00 C ATOM 945 CD GLU A 59 9.187 7.720 -4.615 1.00 0.00 C ATOM 946 OE1 GLU A 59 9.327 8.003 -3.409 1.00 0.00 O ATOM 947 OE2 GLU A 59 9.253 6.548 -5.041 1.00 0.00 O ATOM 0 H GLU A 59 8.031 12.072 -6.058 1.00 0.00 H new ATOM 0 HA GLU A 59 7.082 9.641 -7.460 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.562 10.100 -4.509 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.800 8.674 -5.185 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.954 8.435 -6.616 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.661 9.601 -5.514 1.00 0.00 H new ATOM 954 N PHE A 60 4.796 10.568 -7.425 1.00 0.00 N ATOM 955 CA PHE A 60 3.365 10.843 -7.350 1.00 0.00 C ATOM 956 C PHE A 60 2.634 9.558 -7.017 1.00 0.00 C ATOM 957 O PHE A 60 2.473 8.693 -7.878 1.00 0.00 O ATOM 958 CB PHE A 60 2.819 11.398 -8.674 1.00 0.00 C ATOM 959 CG PHE A 60 3.235 12.808 -8.996 1.00 0.00 C ATOM 960 CD1 PHE A 60 3.062 13.829 -8.076 1.00 0.00 C ATOM 961 CD2 PHE A 60 3.785 13.114 -10.229 1.00 0.00 C ATOM 962 CE1 PHE A 60 3.429 15.126 -8.378 1.00 0.00 C ATOM 963 CE2 PHE A 60 4.153 14.410 -10.538 1.00 0.00 C ATOM 964 CZ PHE A 60 3.976 15.417 -9.611 1.00 0.00 C ATOM 0 H PHE A 60 5.112 10.245 -8.340 1.00 0.00 H new ATOM 0 HA PHE A 60 3.206 11.595 -6.577 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.144 10.746 -9.485 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.730 11.354 -8.647 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.634 13.608 -7.109 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.928 12.331 -10.958 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.288 15.911 -7.650 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.579 14.635 -11.505 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.265 16.430 -9.850 1.00 0.00 H new ATOM 974 N LYS A 61 2.206 9.412 -5.775 1.00 0.00 N ATOM 975 CA LYS A 61 1.632 8.148 -5.342 1.00 0.00 C ATOM 976 C LYS A 61 0.174 8.303 -4.922 1.00 0.00 C ATOM 977 O LYS A 61 -0.140 8.835 -3.859 1.00 0.00 O ATOM 978 CB LYS A 61 2.500 7.535 -4.239 1.00 0.00 C ATOM 979 CG LYS A 61 3.853 7.074 -4.771 1.00 0.00 C ATOM 980 CD LYS A 61 4.819 6.658 -3.672 1.00 0.00 C ATOM 981 CE LYS A 61 6.118 6.135 -4.269 1.00 0.00 C ATOM 982 NZ LYS A 61 7.173 5.903 -3.243 1.00 0.00 N ATOM 0 H LYS A 61 2.243 10.138 -5.059 1.00 0.00 H new ATOM 0 HA LYS A 61 1.625 7.458 -6.186 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.652 8.268 -3.447 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.977 6.688 -3.794 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.702 6.235 -5.450 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.301 7.879 -5.354 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.027 7.508 -3.023 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.362 5.888 -3.051 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.920 5.202 -4.797 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.486 6.848 -5.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.763 5.095 -3.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.767 6.752 -3.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.727 5.699 -2.326 1.00 0.00 H new ATOM 996 N ASN A 62 -0.708 7.829 -5.790 1.00 0.00 N ATOM 997 CA ASN A 62 -2.147 7.956 -5.595 1.00 0.00 C ATOM 998 C ASN A 62 -2.627 6.954 -4.551 1.00 0.00 C ATOM 999 O ASN A 62 -1.944 5.966 -4.281 1.00 0.00 O ATOM 1000 CB ASN A 62 -2.871 7.712 -6.927 1.00 0.00 C ATOM 1001 CG ASN A 62 -4.351 8.039 -6.877 1.00 0.00 C ATOM 1002 OD1 ASN A 62 -5.175 7.204 -6.499 1.00 0.00 O ATOM 1003 ND2 ASN A 62 -4.703 9.251 -7.276 1.00 0.00 N ATOM 0 H ASN A 62 -0.447 7.345 -6.649 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.371 8.963 -5.242 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.400 8.314 -7.704 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.747 6.668 -7.214 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.686 9.522 -7.278 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.991 9.914 -7.582 1.00 0.00 H new ATOM 1010 N ALA A 63 -3.798 7.211 -3.976 1.00 0.00 N ATOM 1011 CA ALA A 63 -4.395 6.306 -3.003 1.00 0.00 C ATOM 1012 C ALA A 63 -4.561 4.903 -3.585 1.00 0.00 C ATOM 1013 O ALA A 63 -3.990 3.934 -3.072 1.00 0.00 O ATOM 1014 CB ALA A 63 -5.741 6.846 -2.540 1.00 0.00 C ATOM 0 H ALA A 63 -4.354 8.044 -4.170 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.724 6.240 -2.146 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.177 6.161 -1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.602 7.824 -2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.409 6.940 -3.396 1.00 0.00 H new ATOM 1477 N ASP B 19 2.626 -1.702 7.906 1.00 0.00 N ATOM 1478 CA ASP B 19 3.075 -0.774 6.873 1.00 0.00 C ATOM 1479 C ASP B 19 2.134 0.413 6.749 1.00 0.00 C ATOM 1480 O ASP B 19 1.311 0.489 5.837 1.00 0.00 O ATOM 1481 CB ASP B 19 3.234 -1.481 5.526 1.00 0.00 C ATOM 1482 CG ASP B 19 4.470 -2.356 5.478 1.00 0.00 C ATOM 1483 OD1 ASP B 19 4.385 -3.537 5.873 1.00 0.00 O ATOM 1484 OD2 ASP B 19 5.537 -1.863 5.053 1.00 0.00 O ATOM 0 HA ASP B 19 4.052 -0.397 7.175 1.00 0.00 H new ATOM 0 HB2 ASP B 19 2.352 -2.091 5.332 1.00 0.00 H new ATOM 0 HB3 ASP B 19 3.287 -0.737 4.732 1.00 0.00 H new ATOM 1489 N VAL B 20 2.245 1.315 7.709 1.00 0.00 N ATOM 1490 CA VAL B 20 1.493 2.553 7.707 1.00 0.00 C ATOM 1491 C VAL B 20 2.472 3.720 7.732 1.00 0.00 C ATOM 1492 O VAL B 20 3.384 3.759 8.561 1.00 0.00 O ATOM 1493 CB VAL B 20 0.543 2.647 8.921 1.00 0.00 C ATOM 1494 CG1 VAL B 20 -0.367 3.862 8.797 1.00 0.00 C ATOM 1495 CG2 VAL B 20 -0.274 1.368 9.068 1.00 0.00 C ATOM 0 H VAL B 20 2.862 1.207 8.514 1.00 0.00 H new ATOM 0 HA VAL B 20 0.880 2.584 6.806 1.00 0.00 H new ATOM 0 HB VAL B 20 1.147 2.766 9.820 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -1.029 3.911 9.662 1.00 0.00 H new ATOM 0 HG12 VAL B 20 0.239 4.767 8.752 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -0.963 3.779 7.888 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -0.936 1.456 9.929 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -0.868 1.210 8.168 1.00 0.00 H new ATOM 0 HG23 VAL B 20 0.398 0.522 9.212 1.00 0.00 H new ATOM 1505 N GLN B 21 2.300 4.655 6.816 1.00 0.00 N ATOM 1506 CA GLN B 21 3.249 5.748 6.663 1.00 0.00 C ATOM 1507 C GLN B 21 2.664 7.056 7.179 1.00 0.00 C ATOM 1508 O GLN B 21 1.451 7.265 7.142 1.00 0.00 O ATOM 1509 CB GLN B 21 3.632 5.895 5.190 1.00 0.00 C ATOM 1510 CG GLN B 21 2.463 6.304 4.310 1.00 0.00 C ATOM 1511 CD GLN B 21 2.757 6.183 2.834 1.00 0.00 C ATOM 1512 OE1 GLN B 21 3.899 6.306 2.391 1.00 0.00 O ATOM 1513 NE2 GLN B 21 1.718 5.946 2.057 1.00 0.00 N ATOM 0 H GLN B 21 1.514 4.682 6.166 1.00 0.00 H new ATOM 0 HA GLN B 21 4.138 5.517 7.250 1.00 0.00 H new ATOM 0 HB2 GLN B 21 4.425 6.637 5.099 1.00 0.00 H new ATOM 0 HB3 GLN B 21 4.037 4.949 4.830 1.00 0.00 H new ATOM 0 HG2 GLN B 21 1.600 5.685 4.554 1.00 0.00 H new ATOM 0 HG3 GLN B 21 2.190 7.335 4.536 1.00 0.00 H new ATOM 0 HE21 GLN B 21 0.788 5.851 2.464 1.00 0.00 H new ATOM 0 HE22 GLN B 21 1.845 5.858 1.049 1.00 0.00 H new ATOM 1522 N ILE B 22 3.522 7.931 7.671 1.00 0.00 N ATOM 1523 CA ILE B 22 3.092 9.257 8.073 1.00 0.00 C ATOM 1524 C ILE B 22 3.694 10.305 7.151 1.00 0.00 C ATOM 1525 O ILE B 22 4.850 10.193 6.744 1.00 0.00 O ATOM 1526 CB ILE B 22 3.459 9.581 9.538 1.00 0.00 C ATOM 1527 CG1 ILE B 22 2.734 8.638 10.497 1.00 0.00 C ATOM 1528 CG2 ILE B 22 3.120 11.028 9.870 1.00 0.00 C ATOM 1529 CD1 ILE B 22 2.826 9.080 11.939 1.00 0.00 C ATOM 0 H ILE B 22 4.517 7.748 7.801 1.00 0.00 H new ATOM 0 HA ILE B 22 2.005 9.274 7.997 1.00 0.00 H new ATOM 0 HB ILE B 22 4.533 9.439 9.656 1.00 0.00 H new ATOM 0 HG12 ILE B 22 1.685 8.571 10.209 1.00 0.00 H new ATOM 0 HG13 ILE B 22 3.155 7.637 10.402 1.00 0.00 H new ATOM 0 HG21 ILE B 22 3.386 11.235 10.906 1.00 0.00 H new ATOM 0 HG22 ILE B 22 3.679 11.693 9.212 1.00 0.00 H new ATOM 0 HG23 ILE B 22 2.052 11.193 9.730 1.00 0.00 H new ATOM 0 HD11 ILE B 22 2.292 8.371 12.572 1.00 0.00 H new ATOM 0 HD12 ILE B 22 3.872 9.120 12.241 1.00 0.00 H new ATOM 0 HD13 ILE B 22 2.380 10.069 12.046 1.00 0.00 H new ATOM 1541 N ASP B 23 2.901 11.309 6.814 1.00 0.00 N ATOM 1542 CA ASP B 23 3.351 12.391 5.967 1.00 0.00 C ATOM 1543 C ASP B 23 4.226 13.360 6.770 1.00 0.00 C ATOM 1544 O ASP B 23 4.598 13.081 7.912 1.00 0.00 O ATOM 1545 CB ASP B 23 2.148 13.133 5.392 1.00 0.00 C ATOM 1546 CG ASP B 23 1.379 13.905 6.441 1.00 0.00 C ATOM 1547 OD1 ASP B 23 1.075 13.334 7.514 1.00 0.00 O ATOM 1548 OD2 ASP B 23 1.082 15.084 6.189 1.00 0.00 O ATOM 0 H ASP B 23 1.932 11.393 7.121 1.00 0.00 H new ATOM 0 HA ASP B 23 3.941 11.978 5.149 1.00 0.00 H new ATOM 0 HB2 ASP B 23 2.487 13.821 4.617 1.00 0.00 H new ATOM 0 HB3 ASP B 23 1.481 12.417 4.912 1.00 0.00 H new ATOM 1553 N PHE B 24 4.544 14.497 6.173 1.00 0.00 N ATOM 1554 CA PHE B 24 5.363 15.514 6.821 1.00 0.00 C ATOM 1555 C PHE B 24 4.573 16.256 7.900 1.00 0.00 C ATOM 1556 O PHE B 24 5.147 16.762 8.863 1.00 0.00 O ATOM 1557 CB PHE B 24 5.888 16.503 5.771 1.00 0.00 C ATOM 1558 CG PHE B 24 6.760 17.594 6.332 1.00 0.00 C ATOM 1559 CD1 PHE B 24 8.052 17.319 6.748 1.00 0.00 C ATOM 1560 CD2 PHE B 24 6.287 18.894 6.435 1.00 0.00 C ATOM 1561 CE1 PHE B 24 8.856 18.319 7.260 1.00 0.00 C ATOM 1562 CE2 PHE B 24 7.088 19.897 6.946 1.00 0.00 C ATOM 1563 CZ PHE B 24 8.374 19.609 7.359 1.00 0.00 C ATOM 0 H PHE B 24 4.244 14.743 5.229 1.00 0.00 H new ATOM 0 HA PHE B 24 6.205 15.020 7.305 1.00 0.00 H new ATOM 0 HB2 PHE B 24 6.453 15.952 5.020 1.00 0.00 H new ATOM 0 HB3 PHE B 24 5.039 16.958 5.261 1.00 0.00 H new ATOM 0 HD1 PHE B 24 8.435 16.312 6.671 1.00 0.00 H new ATOM 0 HD2 PHE B 24 5.282 19.124 6.112 1.00 0.00 H new ATOM 0 HE1 PHE B 24 9.861 18.092 7.583 1.00 0.00 H new ATOM 0 HE2 PHE B 24 6.709 20.905 7.022 1.00 0.00 H new ATOM 0 HZ PHE B 24 9.002 20.392 7.759 1.00 0.00 H new ATOM 1573 N TYR B 25 3.256 16.310 7.746 1.00 0.00 N ATOM 1574 CA TYR B 25 2.415 17.060 8.670 1.00 0.00 C ATOM 1575 C TYR B 25 2.156 16.255 9.942 1.00 0.00 C ATOM 1576 O TYR B 25 1.856 16.820 10.993 1.00 0.00 O ATOM 1577 CB TYR B 25 1.093 17.432 7.990 1.00 0.00 C ATOM 1578 CG TYR B 25 0.303 18.508 8.698 1.00 0.00 C ATOM 1579 CD1 TYR B 25 0.588 19.852 8.486 1.00 0.00 C ATOM 1580 CD2 TYR B 25 -0.731 18.185 9.568 1.00 0.00 C ATOM 1581 CE1 TYR B 25 -0.134 20.844 9.120 1.00 0.00 C ATOM 1582 CE2 TYR B 25 -1.457 19.172 10.207 1.00 0.00 C ATOM 1583 CZ TYR B 25 -1.155 20.500 9.978 1.00 0.00 C ATOM 1584 OH TYR B 25 -1.877 21.487 10.608 1.00 0.00 O ATOM 0 H TYR B 25 2.749 15.845 6.993 1.00 0.00 H new ATOM 0 HA TYR B 25 2.936 17.975 8.951 1.00 0.00 H new ATOM 0 HB2 TYR B 25 1.303 17.763 6.973 1.00 0.00 H new ATOM 0 HB3 TYR B 25 0.475 16.537 7.912 1.00 0.00 H new ATOM 0 HD1 TYR B 25 1.388 20.125 7.814 1.00 0.00 H new ATOM 0 HD2 TYR B 25 -0.971 17.147 9.747 1.00 0.00 H new ATOM 0 HE1 TYR B 25 0.101 21.883 8.944 1.00 0.00 H new ATOM 0 HE2 TYR B 25 -2.257 18.906 10.882 1.00 0.00 H new ATOM 0 HH TYR B 25 -2.561 21.078 11.178 1.00 0.00 H new ATOM 1594 N GLY B 26 2.277 14.934 9.849 1.00 0.00 N ATOM 1595 CA GLY B 26 2.053 14.093 11.005 1.00 0.00 C ATOM 1596 C GLY B 26 0.606 13.679 11.130 1.00 0.00 C ATOM 1597 O GLY B 26 0.168 13.224 12.189 1.00 0.00 O ATOM 0 H GLY B 26 2.526 14.435 8.995 1.00 0.00 H new ATOM 0 HA2 GLY B 26 2.680 13.204 10.934 1.00 0.00 H new ATOM 0 HA3 GLY B 26 2.357 14.626 11.906 1.00 0.00 H new ATOM 1601 N ASP B 27 -0.136 13.819 10.041 1.00 0.00 N ATOM 1602 CA ASP B 27 -1.558 13.499 10.030 1.00 0.00 C ATOM 1603 C ASP B 27 -1.763 12.058 9.575 1.00 0.00 C ATOM 1604 O ASP B 27 -2.869 11.517 9.641 1.00 0.00 O ATOM 1605 CB ASP B 27 -2.308 14.471 9.113 1.00 0.00 C ATOM 1606 CG ASP B 27 -3.813 14.343 9.228 1.00 0.00 C ATOM 1607 OD1 ASP B 27 -4.330 14.374 10.368 1.00 0.00 O ATOM 1608 OD2 ASP B 27 -4.484 14.219 8.182 1.00 0.00 O ATOM 0 H ASP B 27 0.225 14.154 9.148 1.00 0.00 H new ATOM 0 HA ASP B 27 -1.957 13.602 11.039 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -2.015 15.492 9.356 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -2.010 14.292 8.080 1.00 0.00 H new ATOM 1613 N GLU B 28 -0.664 11.455 9.116 1.00 0.00 N ATOM 1614 CA GLU B 28 -0.619 10.048 8.716 1.00 0.00 C ATOM 1615 C GLU B 28 -1.266 9.851 7.348 1.00 0.00 C ATOM 1616 O GLU B 28 -2.288 10.459 7.034 1.00 0.00 O ATOM 1617 CB GLU B 28 -1.283 9.152 9.767 1.00 0.00 C ATOM 1618 CG GLU B 28 -1.149 7.666 9.487 1.00 0.00 C ATOM 1619 CD GLU B 28 -1.840 6.821 10.534 1.00 0.00 C ATOM 1620 OE1 GLU B 28 -3.081 6.692 10.477 1.00 0.00 O ATOM 1621 OE2 GLU B 28 -1.144 6.290 11.425 1.00 0.00 O ATOM 0 H GLU B 28 0.229 11.936 9.011 1.00 0.00 H new ATOM 0 HA GLU B 28 0.429 9.756 8.642 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -0.846 9.368 10.742 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -2.341 9.405 9.829 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -1.571 7.444 8.507 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -0.093 7.400 9.447 1.00 0.00 H new ATOM 1628 N VAL B 29 -0.654 9.006 6.529 1.00 0.00 N ATOM 1629 CA VAL B 29 -1.130 8.785 5.175 1.00 0.00 C ATOM 1630 C VAL B 29 -1.668 7.370 5.024 1.00 0.00 C ATOM 1631 O VAL B 29 -0.907 6.406 4.922 1.00 0.00 O ATOM 1632 CB VAL B 29 -0.017 9.016 4.134 1.00 0.00 C ATOM 1633 CG1 VAL B 29 -0.586 9.040 2.729 1.00 0.00 C ATOM 1634 CG2 VAL B 29 0.731 10.303 4.419 1.00 0.00 C ATOM 0 H VAL B 29 0.172 8.464 6.781 1.00 0.00 H new ATOM 0 HA VAL B 29 -1.928 9.505 4.994 1.00 0.00 H new ATOM 0 HB VAL B 29 0.685 8.185 4.208 1.00 0.00 H new ATOM 0 HG11 VAL B 29 0.219 9.204 2.013 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.071 8.087 2.517 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -1.316 9.845 2.646 1.00 0.00 H new ATOM 0 HG21 VAL B 29 1.511 10.444 3.671 1.00 0.00 H new ATOM 0 HG22 VAL B 29 0.037 11.143 4.382 1.00 0.00 H new ATOM 0 HG23 VAL B 29 1.183 10.249 5.409 1.00 0.00 H new ATOM 1644 N THR B 30 -2.982 7.254 5.036 1.00 0.00 N ATOM 1645 CA THR B 30 -3.632 5.974 4.848 1.00 0.00 C ATOM 1646 C THR B 30 -3.780 5.682 3.355 1.00 0.00 C ATOM 1647 O THR B 30 -3.732 6.602 2.538 1.00 0.00 O ATOM 1648 CB THR B 30 -5.015 5.955 5.534 1.00 0.00 C ATOM 1649 OG1 THR B 30 -5.830 7.028 5.040 1.00 0.00 O ATOM 1650 CG2 THR B 30 -4.871 6.076 7.045 1.00 0.00 C ATOM 0 H THR B 30 -3.622 8.036 5.175 1.00 0.00 H new ATOM 0 HA THR B 30 -3.015 5.201 5.305 1.00 0.00 H new ATOM 0 HB THR B 30 -5.494 5.003 5.303 1.00 0.00 H new ATOM 0 HG1 THR B 30 -6.705 7.004 5.481 1.00 0.00 H new ATOM 0 HG21 THR B 30 -5.858 6.060 7.507 1.00 0.00 H new ATOM 0 HG22 THR B 30 -4.281 5.241 7.422 1.00 0.00 H new ATOM 0 HG23 THR B 30 -4.371 7.013 7.289 1.00 0.00 H new ATOM 1658 N PRO B 31 -3.963 4.406 2.973 1.00 0.00 N ATOM 1659 CA PRO B 31 -4.100 4.011 1.560 1.00 0.00 C ATOM 1660 C PRO B 31 -5.409 4.493 0.934 1.00 0.00 C ATOM 1661 O PRO B 31 -5.748 4.131 -0.192 1.00 0.00 O ATOM 1662 CB PRO B 31 -4.058 2.483 1.612 1.00 0.00 C ATOM 1663 CG PRO B 31 -4.517 2.136 2.987 1.00 0.00 C ATOM 1664 CD PRO B 31 -4.041 3.246 3.880 1.00 0.00 C ATOM 0 HA PRO B 31 -3.319 4.452 0.941 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -4.708 2.043 0.855 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -3.052 2.108 1.425 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -5.603 2.045 3.024 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -4.106 1.178 3.304 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -4.734 3.425 4.702 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -3.072 3.017 4.324 1.00 0.00 H new ATOM 1672 N VAL B 32 -6.141 5.311 1.676 1.00 0.00 N ATOM 1673 CA VAL B 32 -7.378 5.891 1.187 1.00 0.00 C ATOM 1674 C VAL B 32 -7.145 7.356 0.813 1.00 0.00 C ATOM 1675 O VAL B 32 -8.016 8.018 0.248 1.00 0.00 O ATOM 1676 CB VAL B 32 -8.495 5.791 2.251 1.00 0.00 C ATOM 1677 CG1 VAL B 32 -9.854 6.132 1.658 1.00 0.00 C ATOM 1678 CG2 VAL B 32 -8.519 4.404 2.871 1.00 0.00 C ATOM 0 H VAL B 32 -5.895 5.588 2.626 1.00 0.00 H new ATOM 0 HA VAL B 32 -7.697 5.334 0.306 1.00 0.00 H new ATOM 0 HB VAL B 32 -8.277 6.519 3.033 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -10.619 6.053 2.431 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -9.836 7.150 1.269 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -10.082 5.438 0.849 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -9.312 4.353 3.618 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -8.703 3.662 2.095 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -7.559 4.201 3.346 1.00 0.00 H new ATOM 1688 N ASP B 33 -5.952 7.853 1.116 1.00 0.00 N ATOM 1689 CA ASP B 33 -5.607 9.236 0.826 1.00 0.00 C ATOM 1690 C ASP B 33 -4.446 9.287 -0.158 1.00 0.00 C ATOM 1691 O ASP B 33 -3.710 8.312 -0.307 1.00 0.00 O ATOM 1692 CB ASP B 33 -5.247 9.988 2.106 1.00 0.00 C ATOM 1693 CG ASP B 33 -5.634 11.455 2.042 1.00 0.00 C ATOM 1694 OD1 ASP B 33 -5.204 12.157 1.106 1.00 0.00 O ATOM 1695 OD2 ASP B 33 -6.393 11.910 2.925 1.00 0.00 O ATOM 0 H ASP B 33 -5.208 7.317 1.563 1.00 0.00 H new ATOM 0 HA ASP B 33 -6.475 9.721 0.380 1.00 0.00 H new ATOM 0 HB2 ASP B 33 -5.748 9.519 2.953 1.00 0.00 H new ATOM 0 HB3 ASP B 33 -4.175 9.905 2.284 1.00 0.00 H new ATOM 1700 N ASP B 34 -4.281 10.420 -0.823 1.00 0.00 N ATOM 1701 CA ASP B 34 -3.242 10.570 -1.830 1.00 0.00 C ATOM 1702 C ASP B 34 -2.053 11.304 -1.236 1.00 0.00 C ATOM 1703 O ASP B 34 -2.219 12.215 -0.424 1.00 0.00 O ATOM 1704 CB ASP B 34 -3.751 11.355 -3.045 1.00 0.00 C ATOM 1705 CG ASP B 34 -5.045 10.815 -3.617 1.00 0.00 C ATOM 1706 OD1 ASP B 34 -5.024 9.745 -4.259 1.00 0.00 O ATOM 1707 OD2 ASP B 34 -6.092 11.477 -3.444 1.00 0.00 O ATOM 0 H ASP B 34 -4.855 11.251 -0.683 1.00 0.00 H new ATOM 0 HA ASP B 34 -2.948 9.572 -2.156 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -3.897 12.397 -2.759 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -2.987 11.342 -3.822 1.00 0.00 H new ATOM 1712 N TYR B 35 -0.855 10.924 -1.638 1.00 0.00 N ATOM 1713 CA TYR B 35 0.336 11.588 -1.145 1.00 0.00 C ATOM 1714 C TYR B 35 1.404 11.642 -2.222 1.00 0.00 C ATOM 1715 O TYR B 35 1.316 10.965 -3.245 1.00 0.00 O ATOM 1716 CB TYR B 35 0.882 10.881 0.098 1.00 0.00 C ATOM 1717 CG TYR B 35 1.524 9.539 -0.181 1.00 0.00 C ATOM 1718 CD1 TYR B 35 0.761 8.432 -0.534 1.00 0.00 C ATOM 1719 CD2 TYR B 35 2.899 9.386 -0.087 1.00 0.00 C ATOM 1720 CE1 TYR B 35 1.354 7.210 -0.785 1.00 0.00 C ATOM 1721 CE2 TYR B 35 3.497 8.170 -0.335 1.00 0.00 C ATOM 1722 CZ TYR B 35 2.723 7.085 -0.684 1.00 0.00 C ATOM 1723 OH TYR B 35 3.322 5.868 -0.917 1.00 0.00 O ATOM 0 H TYR B 35 -0.681 10.166 -2.298 1.00 0.00 H new ATOM 0 HA TYR B 35 0.061 12.607 -0.871 1.00 0.00 H new ATOM 0 HB2 TYR B 35 1.616 11.529 0.578 1.00 0.00 H new ATOM 0 HB3 TYR B 35 0.068 10.740 0.809 1.00 0.00 H new ATOM 0 HD1 TYR B 35 -0.312 8.529 -0.613 1.00 0.00 H new ATOM 0 HD2 TYR B 35 3.511 10.233 0.185 1.00 0.00 H new ATOM 0 HE1 TYR B 35 0.749 6.358 -1.059 1.00 0.00 H new ATOM 0 HE2 TYR B 35 4.569 8.068 -0.256 1.00 0.00 H new ATOM 0 HH TYR B 35 4.292 5.954 -0.805 1.00 0.00 H new ATOM 1733 N VAL B 36 2.405 12.458 -1.992 1.00 0.00 N ATOM 1734 CA VAL B 36 3.515 12.583 -2.911 1.00 0.00 C ATOM 1735 C VAL B 36 4.807 12.623 -2.118 1.00 0.00 C ATOM 1736 O VAL B 36 4.831 13.132 -0.996 1.00 0.00 O ATOM 1737 CB VAL B 36 3.367 13.848 -3.788 1.00 0.00 C ATOM 1738 CG1 VAL B 36 4.625 14.137 -4.593 1.00 0.00 C ATOM 1739 CG2 VAL B 36 2.170 13.711 -4.712 1.00 0.00 C ATOM 0 H VAL B 36 2.475 13.053 -1.166 1.00 0.00 H new ATOM 0 HA VAL B 36 3.528 11.724 -3.581 1.00 0.00 H new ATOM 0 HB VAL B 36 3.209 14.692 -3.117 1.00 0.00 H new ATOM 0 HG11 VAL B 36 4.475 15.034 -5.194 1.00 0.00 H new ATOM 0 HG12 VAL B 36 5.464 14.291 -3.914 1.00 0.00 H new ATOM 0 HG13 VAL B 36 4.839 13.293 -5.249 1.00 0.00 H new ATOM 0 HG21 VAL B 36 2.078 14.609 -5.323 1.00 0.00 H new ATOM 0 HG22 VAL B 36 2.307 12.844 -5.358 1.00 0.00 H new ATOM 0 HG23 VAL B 36 1.265 13.582 -4.118 1.00 0.00 H new ATOM 1749 N ILE B 37 5.856 12.037 -2.662 1.00 0.00 N ATOM 1750 CA ILE B 37 7.131 12.034 -1.984 1.00 0.00 C ATOM 1751 C ILE B 37 8.117 12.935 -2.719 1.00 0.00 C ATOM 1752 O ILE B 37 8.455 12.703 -3.897 1.00 0.00 O ATOM 1753 CB ILE B 37 7.704 10.607 -1.818 1.00 0.00 C ATOM 1754 CG1 ILE B 37 6.669 9.695 -1.146 1.00 0.00 C ATOM 1755 CG2 ILE B 37 8.985 10.642 -1.002 1.00 0.00 C ATOM 1756 CD1 ILE B 37 7.163 8.288 -0.884 1.00 0.00 C ATOM 0 H ILE B 37 5.848 11.561 -3.564 1.00 0.00 H new ATOM 0 HA ILE B 37 6.971 12.426 -0.980 1.00 0.00 H new ATOM 0 HB ILE B 37 7.934 10.207 -2.806 1.00 0.00 H new ATOM 0 HG12 ILE B 37 6.365 10.144 -0.200 1.00 0.00 H new ATOM 0 HG13 ILE B 37 5.781 9.645 -1.776 1.00 0.00 H new ATOM 0 HG21 ILE B 37 9.376 9.630 -0.894 1.00 0.00 H new ATOM 0 HG22 ILE B 37 9.723 11.264 -1.509 1.00 0.00 H new ATOM 0 HG23 ILE B 37 8.777 11.058 -0.016 1.00 0.00 H new ATOM 0 HD11 ILE B 37 6.373 7.708 -0.408 1.00 0.00 H new ATOM 0 HD12 ILE B 37 7.440 7.818 -1.828 1.00 0.00 H new ATOM 0 HD13 ILE B 37 8.033 8.324 -0.228 1.00 0.00 H new ATOM 1768 N ASP B 38 8.536 13.978 -2.010 1.00 0.00 N ATOM 1769 CA ASP B 38 9.467 14.968 -2.528 1.00 0.00 C ATOM 1770 C ASP B 38 10.876 14.644 -2.065 1.00 0.00 C ATOM 1771 O ASP B 38 11.320 15.122 -1.016 1.00 0.00 O ATOM 1772 CB ASP B 38 9.108 16.379 -2.028 1.00 0.00 C ATOM 1773 CG ASP B 38 7.843 16.959 -2.631 1.00 0.00 C ATOM 1774 OD1 ASP B 38 6.877 16.204 -2.851 1.00 0.00 O ATOM 1775 OD2 ASP B 38 7.825 18.187 -2.886 1.00 0.00 O ATOM 0 H ASP B 38 8.235 14.159 -1.052 1.00 0.00 H new ATOM 0 HA ASP B 38 9.407 14.943 -3.616 1.00 0.00 H new ATOM 0 HB2 ASP B 38 8.998 16.349 -0.944 1.00 0.00 H new ATOM 0 HB3 ASP B 38 9.939 17.050 -2.245 1.00 0.00 H new ATOM 1780 N GLY B 39 11.560 13.804 -2.818 1.00 0.00 N ATOM 1781 CA GLY B 39 12.937 13.476 -2.505 1.00 0.00 C ATOM 1782 C GLY B 39 13.087 12.787 -1.163 1.00 0.00 C ATOM 1783 O GLY B 39 13.961 13.139 -0.371 1.00 0.00 O ATOM 0 H GLY B 39 11.187 13.339 -3.646 1.00 0.00 H new ATOM 0 HA2 GLY B 39 13.338 12.831 -3.286 1.00 0.00 H new ATOM 0 HA3 GLY B 39 13.533 14.389 -2.508 1.00 0.00 H new ATOM 1787 N GLY B 40 12.228 11.810 -0.904 1.00 0.00 N ATOM 1788 CA GLY B 40 12.303 11.068 0.341 1.00 0.00 C ATOM 1789 C GLY B 40 11.330 11.573 1.386 1.00 0.00 C ATOM 1790 O GLY B 40 11.106 10.919 2.404 1.00 0.00 O ATOM 0 H GLY B 40 11.480 11.517 -1.533 1.00 0.00 H new ATOM 0 HA2 GLY B 40 12.102 10.015 0.143 1.00 0.00 H new ATOM 0 HA3 GLY B 40 13.317 11.131 0.735 1.00 0.00 H new ATOM 1794 N GLU B 41 10.748 12.734 1.138 1.00 0.00 N ATOM 1795 CA GLU B 41 9.804 13.327 2.073 1.00 0.00 C ATOM 1796 C GLU B 41 8.371 12.974 1.677 1.00 0.00 C ATOM 1797 O GLU B 41 7.932 13.311 0.583 1.00 0.00 O ATOM 1798 CB GLU B 41 9.963 14.848 2.083 1.00 0.00 C ATOM 1799 CG GLU B 41 9.307 15.531 3.271 1.00 0.00 C ATOM 1800 CD GLU B 41 10.209 15.590 4.485 1.00 0.00 C ATOM 1801 OE1 GLU B 41 10.194 14.643 5.298 1.00 0.00 O ATOM 1802 OE2 GLU B 41 10.938 16.595 4.631 1.00 0.00 O ATOM 0 H GLU B 41 10.912 13.286 0.296 1.00 0.00 H new ATOM 0 HA GLU B 41 10.010 12.931 3.068 1.00 0.00 H new ATOM 0 HB2 GLU B 41 11.025 15.092 2.078 1.00 0.00 H new ATOM 0 HB3 GLU B 41 9.539 15.253 1.164 1.00 0.00 H new ATOM 0 HG2 GLU B 41 9.019 16.544 2.989 1.00 0.00 H new ATOM 0 HG3 GLU B 41 8.391 14.999 3.530 1.00 0.00 H new ATOM 1809 N ILE B 42 7.650 12.292 2.554 1.00 0.00 N ATOM 1810 CA ILE B 42 6.245 11.980 2.307 1.00 0.00 C ATOM 1811 C ILE B 42 5.375 13.158 2.718 1.00 0.00 C ATOM 1812 O ILE B 42 5.415 13.579 3.864 1.00 0.00 O ATOM 1813 CB ILE B 42 5.788 10.730 3.100 1.00 0.00 C ATOM 1814 CG1 ILE B 42 6.531 9.484 2.624 1.00 0.00 C ATOM 1815 CG2 ILE B 42 4.283 10.529 2.970 1.00 0.00 C ATOM 1816 CD1 ILE B 42 6.306 8.270 3.501 1.00 0.00 C ATOM 0 H ILE B 42 8.011 11.943 3.442 1.00 0.00 H new ATOM 0 HA ILE B 42 6.138 11.777 1.241 1.00 0.00 H new ATOM 0 HB ILE B 42 6.026 10.893 4.151 1.00 0.00 H new ATOM 0 HG12 ILE B 42 6.216 9.250 1.607 1.00 0.00 H new ATOM 0 HG13 ILE B 42 7.599 9.701 2.585 1.00 0.00 H new ATOM 0 HG21 ILE B 42 3.984 9.646 3.534 1.00 0.00 H new ATOM 0 HG22 ILE B 42 3.764 11.404 3.362 1.00 0.00 H new ATOM 0 HG23 ILE B 42 4.023 10.394 1.920 1.00 0.00 H new ATOM 0 HD11 ILE B 42 6.865 7.424 3.101 1.00 0.00 H new ATOM 0 HD12 ILE B 42 6.647 8.484 4.514 1.00 0.00 H new ATOM 0 HD13 ILE B 42 5.244 8.027 3.520 1.00 0.00 H new ATOM 1828 N ILE B 43 4.611 13.711 1.788 1.00 0.00 N ATOM 1829 CA ILE B 43 3.660 14.755 2.137 1.00 0.00 C ATOM 1830 C ILE B 43 2.272 14.383 1.643 1.00 0.00 C ATOM 1831 O ILE B 43 2.088 14.023 0.477 1.00 0.00 O ATOM 1832 CB ILE B 43 4.031 16.149 1.575 1.00 0.00 C ATOM 1833 CG1 ILE B 43 5.524 16.439 1.725 1.00 0.00 C ATOM 1834 CG2 ILE B 43 3.221 17.229 2.283 1.00 0.00 C ATOM 1835 CD1 ILE B 43 6.350 15.962 0.551 1.00 0.00 C ATOM 0 H ILE B 43 4.630 13.459 0.800 1.00 0.00 H new ATOM 0 HA ILE B 43 3.683 14.828 3.224 1.00 0.00 H new ATOM 0 HB ILE B 43 3.794 16.152 0.511 1.00 0.00 H new ATOM 0 HG12 ILE B 43 5.667 17.512 1.848 1.00 0.00 H new ATOM 0 HG13 ILE B 43 5.890 15.962 2.634 1.00 0.00 H new ATOM 0 HG21 ILE B 43 3.488 18.206 1.881 1.00 0.00 H new ATOM 0 HG22 ILE B 43 2.158 17.050 2.123 1.00 0.00 H new ATOM 0 HG23 ILE B 43 3.437 17.204 3.351 1.00 0.00 H new ATOM 0 HD11 ILE B 43 7.400 16.200 0.724 1.00 0.00 H new ATOM 0 HD12 ILE B 43 6.236 14.884 0.440 1.00 0.00 H new ATOM 0 HD13 ILE B 43 6.010 16.458 -0.358 1.00 0.00 H new ATOM 1847 N LEU B 44 1.304 14.449 2.544 1.00 0.00 N ATOM 1848 CA LEU B 44 -0.083 14.181 2.206 1.00 0.00 C ATOM 1849 C LEU B 44 -0.598 15.263 1.261 1.00 0.00 C ATOM 1850 O LEU B 44 -0.290 16.441 1.440 1.00 0.00 O ATOM 1851 CB LEU B 44 -0.926 14.145 3.486 1.00 0.00 C ATOM 1852 CG LEU B 44 -2.356 13.628 3.323 1.00 0.00 C ATOM 1853 CD1 LEU B 44 -2.346 12.190 2.844 1.00 0.00 C ATOM 1854 CD2 LEU B 44 -3.112 13.743 4.638 1.00 0.00 C ATOM 0 H LEU B 44 1.457 14.688 3.524 1.00 0.00 H new ATOM 0 HA LEU B 44 -0.158 13.214 1.708 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -0.415 13.521 4.219 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -0.968 15.152 3.900 1.00 0.00 H new ATOM 0 HG LEU B 44 -2.863 14.238 2.576 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -3.371 11.836 2.733 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -1.835 12.130 1.883 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -1.824 11.568 3.571 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.128 13.371 4.507 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -2.605 13.153 5.402 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.145 14.787 4.949 1.00 0.00 H new ATOM 1866 N ARG B 45 -1.384 14.868 0.261 1.00 0.00 N ATOM 1867 CA ARG B 45 -1.919 15.814 -0.723 1.00 0.00 C ATOM 1868 C ARG B 45 -2.787 16.883 -0.061 1.00 0.00 C ATOM 1869 O ARG B 45 -3.067 17.925 -0.653 1.00 0.00 O ATOM 1870 CB ARG B 45 -2.720 15.073 -1.796 1.00 0.00 C ATOM 1871 CG ARG B 45 -1.881 14.619 -2.978 1.00 0.00 C ATOM 1872 CD ARG B 45 -1.552 15.782 -3.902 1.00 0.00 C ATOM 1873 NE ARG B 45 -2.752 16.346 -4.520 1.00 0.00 N ATOM 1874 CZ ARG B 45 -2.883 17.623 -4.888 1.00 0.00 C ATOM 1875 NH1 ARG B 45 -1.882 18.480 -4.708 1.00 0.00 N ATOM 1876 NH2 ARG B 45 -4.015 18.045 -5.433 1.00 0.00 N ATOM 0 H ARG B 45 -1.666 13.900 0.109 1.00 0.00 H new ATOM 0 HA ARG B 45 -1.072 16.315 -1.193 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -3.197 14.203 -1.345 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -3.517 15.723 -2.156 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -0.958 14.165 -2.618 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -2.418 13.851 -3.534 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -1.035 16.559 -3.338 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -0.868 15.445 -4.680 1.00 0.00 H new ATOM 0 HE ARG B 45 -3.542 15.721 -4.681 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -1.009 18.163 -4.287 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -1.988 19.454 -4.991 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -4.788 17.394 -5.572 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -4.113 19.021 -5.713 1.00 0.00 H new ATOM 1890 N GLU B 46 -3.185 16.615 1.172 1.00 0.00 N ATOM 1891 CA GLU B 46 -3.966 17.550 1.962 1.00 0.00 C ATOM 1892 C GLU B 46 -3.237 18.892 2.092 1.00 0.00 C ATOM 1893 O GLU B 46 -3.835 19.947 1.899 1.00 0.00 O ATOM 1894 CB GLU B 46 -4.237 16.927 3.341 1.00 0.00 C ATOM 1895 CG GLU B 46 -5.290 17.638 4.178 1.00 0.00 C ATOM 1896 CD GLU B 46 -4.760 18.873 4.868 1.00 0.00 C ATOM 1897 OE1 GLU B 46 -3.788 18.750 5.644 1.00 0.00 O ATOM 1898 OE2 GLU B 46 -5.317 19.966 4.645 1.00 0.00 O ATOM 0 H GLU B 46 -2.975 15.741 1.653 1.00 0.00 H new ATOM 0 HA GLU B 46 -4.916 17.747 1.465 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -4.547 15.892 3.199 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -3.303 16.906 3.902 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -6.127 17.917 3.538 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -5.678 16.948 4.927 1.00 0.00 H new ATOM 1905 N ASN B 47 -1.938 18.844 2.380 1.00 0.00 N ATOM 1906 CA ASN B 47 -1.154 20.060 2.605 1.00 0.00 C ATOM 1907 C ASN B 47 0.111 20.078 1.746 1.00 0.00 C ATOM 1908 O ASN B 47 1.033 20.857 1.990 1.00 0.00 O ATOM 1909 CB ASN B 47 -0.786 20.187 4.089 1.00 0.00 C ATOM 1910 CG ASN B 47 -0.141 18.928 4.646 1.00 0.00 C ATOM 1911 OD1 ASN B 47 1.071 18.745 4.559 1.00 0.00 O ATOM 1912 ND2 ASN B 47 -0.952 18.057 5.237 1.00 0.00 N ATOM 0 H ASN B 47 -1.405 17.978 2.463 1.00 0.00 H new ATOM 0 HA ASN B 47 -1.769 20.911 2.314 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -0.104 21.027 4.219 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -1.684 20.414 4.663 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -0.574 17.199 5.639 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -1.953 18.246 5.289 1.00 0.00 H new ATOM 1919 N LEU B 48 0.125 19.241 0.715 1.00 0.00 N ATOM 1920 CA LEU B 48 1.289 19.092 -0.159 1.00 0.00 C ATOM 1921 C LEU B 48 1.622 20.382 -0.911 1.00 0.00 C ATOM 1922 O LEU B 48 2.787 20.650 -1.199 1.00 0.00 O ATOM 1923 CB LEU B 48 1.040 17.967 -1.166 1.00 0.00 C ATOM 1924 CG LEU B 48 2.139 17.772 -2.212 1.00 0.00 C ATOM 1925 CD1 LEU B 48 3.415 17.246 -1.575 1.00 0.00 C ATOM 1926 CD2 LEU B 48 1.664 16.836 -3.307 1.00 0.00 C ATOM 0 H LEU B 48 -0.665 18.648 0.460 1.00 0.00 H new ATOM 0 HA LEU B 48 2.141 18.851 0.476 1.00 0.00 H new ATOM 0 HB2 LEU B 48 0.912 17.033 -0.619 1.00 0.00 H new ATOM 0 HB3 LEU B 48 0.101 18.165 -1.682 1.00 0.00 H new ATOM 0 HG LEU B 48 2.362 18.743 -2.655 1.00 0.00 H new ATOM 0 HD11 LEU B 48 4.178 17.117 -2.342 1.00 0.00 H new ATOM 0 HD12 LEU B 48 3.768 17.956 -0.828 1.00 0.00 H new ATOM 0 HD13 LEU B 48 3.215 16.287 -1.098 1.00 0.00 H new ATOM 0 HD21 LEU B 48 2.456 16.707 -4.044 1.00 0.00 H new ATOM 0 HD22 LEU B 48 1.410 15.869 -2.874 1.00 0.00 H new ATOM 0 HD23 LEU B 48 0.784 17.259 -3.791 1.00 0.00 H new ATOM 1938 N GLU B 49 0.598 21.172 -1.219 1.00 0.00 N ATOM 1939 CA GLU B 49 0.759 22.379 -2.033 1.00 0.00 C ATOM 1940 C GLU B 49 1.884 23.269 -1.503 1.00 0.00 C ATOM 1941 O GLU B 49 2.736 23.730 -2.265 1.00 0.00 O ATOM 1942 CB GLU B 49 -0.569 23.148 -2.075 1.00 0.00 C ATOM 1943 CG GLU B 49 -0.611 24.305 -3.067 1.00 0.00 C ATOM 1944 CD GLU B 49 0.028 25.574 -2.535 1.00 0.00 C ATOM 1945 OE1 GLU B 49 -0.299 25.975 -1.399 1.00 0.00 O ATOM 1946 OE2 GLU B 49 0.842 26.184 -3.259 1.00 0.00 O ATOM 0 H GLU B 49 -0.360 20.999 -0.916 1.00 0.00 H new ATOM 0 HA GLU B 49 1.036 22.080 -3.044 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -1.369 22.449 -2.320 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -0.779 23.536 -1.078 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -0.103 24.007 -3.984 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -1.648 24.511 -3.330 1.00 0.00 H new ATOM 1953 N ARG B 50 1.902 23.478 -0.194 1.00 0.00 N ATOM 1954 CA ARG B 50 2.879 24.368 0.414 1.00 0.00 C ATOM 1955 C ARG B 50 4.284 23.775 0.328 1.00 0.00 C ATOM 1956 O ARG B 50 5.266 24.494 0.108 1.00 0.00 O ATOM 1957 CB ARG B 50 2.516 24.639 1.874 1.00 0.00 C ATOM 1958 CG ARG B 50 3.229 25.846 2.457 1.00 0.00 C ATOM 1959 CD ARG B 50 2.865 27.111 1.702 1.00 0.00 C ATOM 1960 NE ARG B 50 3.511 28.296 2.261 1.00 0.00 N ATOM 1961 CZ ARG B 50 2.919 29.486 2.362 1.00 0.00 C ATOM 1962 NH1 ARG B 50 1.681 29.654 1.903 1.00 0.00 N ATOM 1963 NH2 ARG B 50 3.572 30.512 2.896 1.00 0.00 N ATOM 0 H ARG B 50 1.254 23.045 0.464 1.00 0.00 H new ATOM 0 HA ARG B 50 2.867 25.309 -0.136 1.00 0.00 H new ATOM 0 HB2 ARG B 50 1.439 24.790 1.951 1.00 0.00 H new ATOM 0 HB3 ARG B 50 2.758 23.760 2.471 1.00 0.00 H new ATOM 0 HG2 ARG B 50 2.963 25.957 3.508 1.00 0.00 H new ATOM 0 HG3 ARG B 50 4.307 25.691 2.415 1.00 0.00 H new ATOM 0 HD2 ARG B 50 3.152 27.003 0.656 1.00 0.00 H new ATOM 0 HD3 ARG B 50 1.784 27.246 1.723 1.00 0.00 H new ATOM 0 HE ARG B 50 4.471 28.208 2.593 1.00 0.00 H new ATOM 0 HH11 ARG B 50 1.186 28.872 1.474 1.00 0.00 H new ATOM 0 HH12 ARG B 50 1.228 30.564 1.980 1.00 0.00 H new ATOM 0 HH21 ARG B 50 4.528 30.390 3.230 1.00 0.00 H new ATOM 0 HH22 ARG B 50 3.117 31.422 2.972 1.00 0.00 H new ATOM 1977 N TYR B 51 4.384 22.461 0.482 1.00 0.00 N ATOM 1978 CA TYR B 51 5.680 21.804 0.449 1.00 0.00 C ATOM 1979 C TYR B 51 6.213 21.776 -0.978 1.00 0.00 C ATOM 1980 O TYR B 51 7.417 21.860 -1.195 1.00 0.00 O ATOM 1981 CB TYR B 51 5.605 20.387 1.023 1.00 0.00 C ATOM 1982 CG TYR B 51 6.949 19.860 1.481 1.00 0.00 C ATOM 1983 CD1 TYR B 51 7.803 19.198 0.605 1.00 0.00 C ATOM 1984 CD2 TYR B 51 7.372 20.042 2.792 1.00 0.00 C ATOM 1985 CE1 TYR B 51 9.035 18.731 1.025 1.00 0.00 C ATOM 1986 CE2 TYR B 51 8.603 19.580 3.220 1.00 0.00 C ATOM 1987 CZ TYR B 51 9.431 18.925 2.333 1.00 0.00 C ATOM 1988 OH TYR B 51 10.662 18.469 2.754 1.00 0.00 O ATOM 0 H TYR B 51 3.591 21.836 0.629 1.00 0.00 H new ATOM 0 HA TYR B 51 6.366 22.375 1.075 1.00 0.00 H new ATOM 0 HB2 TYR B 51 4.912 20.378 1.864 1.00 0.00 H new ATOM 0 HB3 TYR B 51 5.197 19.716 0.267 1.00 0.00 H new ATOM 0 HD1 TYR B 51 7.499 19.046 -0.420 1.00 0.00 H new ATOM 0 HD2 TYR B 51 6.727 20.554 3.490 1.00 0.00 H new ATOM 0 HE1 TYR B 51 9.685 18.217 0.332 1.00 0.00 H new ATOM 0 HE2 TYR B 51 8.914 19.731 4.243 1.00 0.00 H new ATOM 0 HH TYR B 51 10.560 17.989 3.602 1.00 0.00 H new ATOM 1998 N LEU B 52 5.312 21.675 -1.951 1.00 0.00 N ATOM 1999 CA LEU B 52 5.695 21.749 -3.359 1.00 0.00 C ATOM 2000 C LEU B 52 6.236 23.136 -3.691 1.00 0.00 C ATOM 2001 O LEU B 52 7.054 23.293 -4.590 1.00 0.00 O ATOM 2002 CB LEU B 52 4.505 21.435 -4.272 1.00 0.00 C ATOM 2003 CG LEU B 52 3.997 19.993 -4.227 1.00 0.00 C ATOM 2004 CD1 LEU B 52 2.826 19.817 -5.184 1.00 0.00 C ATOM 2005 CD2 LEU B 52 5.116 19.023 -4.573 1.00 0.00 C ATOM 0 H LEU B 52 4.313 21.542 -1.792 1.00 0.00 H new ATOM 0 HA LEU B 52 6.473 21.005 -3.530 1.00 0.00 H new ATOM 0 HB2 LEU B 52 3.682 22.099 -4.007 1.00 0.00 H new ATOM 0 HB3 LEU B 52 4.786 21.670 -5.299 1.00 0.00 H new ATOM 0 HG LEU B 52 3.655 19.777 -3.215 1.00 0.00 H new ATOM 0 HD11 LEU B 52 2.474 18.786 -5.142 1.00 0.00 H new ATOM 0 HD12 LEU B 52 2.017 20.489 -4.897 1.00 0.00 H new ATOM 0 HD13 LEU B 52 3.148 20.050 -6.199 1.00 0.00 H new ATOM 0 HD21 LEU B 52 4.737 18.002 -4.536 1.00 0.00 H new ATOM 0 HD22 LEU B 52 5.486 19.237 -5.576 1.00 0.00 H new ATOM 0 HD23 LEU B 52 5.929 19.134 -3.855 1.00 0.00 H new ATOM 2017 N ARG B 53 5.759 24.147 -2.979 1.00 0.00 N ATOM 2018 CA ARG B 53 6.305 25.488 -3.131 1.00 0.00 C ATOM 2019 C ARG B 53 7.758 25.519 -2.676 1.00 0.00 C ATOM 2020 O ARG B 53 8.622 26.084 -3.349 1.00 0.00 O ATOM 2021 CB ARG B 53 5.491 26.512 -2.339 1.00 0.00 C ATOM 2022 CG ARG B 53 4.136 26.819 -2.950 1.00 0.00 C ATOM 2023 CD ARG B 53 3.466 27.986 -2.244 1.00 0.00 C ATOM 2024 NE ARG B 53 4.378 29.122 -2.087 1.00 0.00 N ATOM 2025 CZ ARG B 53 4.703 29.975 -3.059 1.00 0.00 C ATOM 2026 NH1 ARG B 53 4.171 29.855 -4.271 1.00 0.00 N ATOM 2027 NH2 ARG B 53 5.563 30.950 -2.810 1.00 0.00 N ATOM 0 H ARG B 53 5.004 24.067 -2.298 1.00 0.00 H new ATOM 0 HA ARG B 53 6.251 25.753 -4.187 1.00 0.00 H new ATOM 0 HB2 ARG B 53 5.346 26.141 -1.324 1.00 0.00 H new ATOM 0 HB3 ARG B 53 6.063 27.437 -2.262 1.00 0.00 H new ATOM 0 HG2 ARG B 53 4.256 27.051 -4.008 1.00 0.00 H new ATOM 0 HG3 ARG B 53 3.498 25.938 -2.887 1.00 0.00 H new ATOM 0 HD2 ARG B 53 2.589 28.299 -2.811 1.00 0.00 H new ATOM 0 HD3 ARG B 53 3.114 27.664 -1.264 1.00 0.00 H new ATOM 0 HE ARG B 53 4.794 29.271 -1.168 1.00 0.00 H new ATOM 0 HH11 ARG B 53 3.507 29.105 -4.465 1.00 0.00 H new ATOM 0 HH12 ARG B 53 4.426 30.513 -5.007 1.00 0.00 H new ATOM 0 HH21 ARG B 53 5.972 31.044 -1.880 1.00 0.00 H new ATOM 0 HH22 ARG B 53 5.817 31.607 -3.548 1.00 0.00 H new ATOM 2041 N GLU B 54 8.019 24.894 -1.535 1.00 0.00 N ATOM 2042 CA GLU B 54 9.372 24.823 -0.995 1.00 0.00 C ATOM 2043 C GLU B 54 10.257 23.873 -1.804 1.00 0.00 C ATOM 2044 O GLU B 54 11.333 24.252 -2.271 1.00 0.00 O ATOM 2045 CB GLU B 54 9.336 24.358 0.462 1.00 0.00 C ATOM 2046 CG GLU B 54 8.569 25.286 1.384 1.00 0.00 C ATOM 2047 CD GLU B 54 9.124 26.693 1.386 1.00 0.00 C ATOM 2048 OE1 GLU B 54 10.335 26.860 1.638 1.00 0.00 O ATOM 2049 OE2 GLU B 54 8.347 27.640 1.137 1.00 0.00 O ATOM 0 H GLU B 54 7.312 24.429 -0.965 1.00 0.00 H new ATOM 0 HA GLU B 54 9.798 25.824 -1.056 1.00 0.00 H new ATOM 0 HB2 GLU B 54 8.887 23.366 0.506 1.00 0.00 H new ATOM 0 HB3 GLU B 54 10.358 24.262 0.828 1.00 0.00 H new ATOM 0 HG2 GLU B 54 7.523 25.312 1.079 1.00 0.00 H new ATOM 0 HG3 GLU B 54 8.595 24.888 2.398 1.00 0.00 H new ATOM 2056 N GLN B 55 9.796 22.641 -1.965 1.00 0.00 N ATOM 2057 CA GLN B 55 10.610 21.590 -2.554 1.00 0.00 C ATOM 2058 C GLN B 55 10.212 21.300 -4.003 1.00 0.00 C ATOM 2059 O GLN B 55 11.000 21.544 -4.920 1.00 0.00 O ATOM 2060 CB GLN B 55 10.496 20.326 -1.707 1.00 0.00 C ATOM 2061 CG GLN B 55 11.562 19.302 -2.023 1.00 0.00 C ATOM 2062 CD GLN B 55 12.958 19.800 -1.677 1.00 0.00 C ATOM 2063 OE1 GLN B 55 13.608 20.480 -2.472 1.00 0.00 O ATOM 2064 NE2 GLN B 55 13.438 19.447 -0.498 1.00 0.00 N ATOM 0 H GLN B 55 8.858 22.345 -1.694 1.00 0.00 H new ATOM 0 HA GLN B 55 11.645 21.931 -2.569 1.00 0.00 H new ATOM 0 HB2 GLN B 55 10.561 20.595 -0.653 1.00 0.00 H new ATOM 0 HB3 GLN B 55 9.514 19.879 -1.862 1.00 0.00 H new ATOM 0 HG2 GLN B 55 11.358 18.385 -1.470 1.00 0.00 H new ATOM 0 HG3 GLN B 55 11.520 19.051 -3.083 1.00 0.00 H new ATOM 0 HE21 GLN B 55 12.871 18.883 0.135 1.00 0.00 H new ATOM 0 HE22 GLN B 55 14.375 19.738 -0.221 1.00 0.00 H new ATOM 2073 N LEU B 56 9.004 20.760 -4.184 1.00 0.00 N ATOM 2074 CA LEU B 56 8.446 20.452 -5.507 1.00 0.00 C ATOM 2075 C LEU B 56 9.031 19.152 -6.067 1.00 0.00 C ATOM 2076 O LEU B 56 9.495 19.100 -7.206 1.00 0.00 O ATOM 2077 CB LEU B 56 8.651 21.607 -6.505 1.00 0.00 C ATOM 2078 CG LEU B 56 7.861 21.487 -7.811 1.00 0.00 C ATOM 2079 CD1 LEU B 56 6.366 21.579 -7.545 1.00 0.00 C ATOM 2080 CD2 LEU B 56 8.300 22.554 -8.800 1.00 0.00 C ATOM 0 H LEU B 56 8.380 20.522 -3.413 1.00 0.00 H new ATOM 0 HA LEU B 56 7.373 20.319 -5.372 1.00 0.00 H new ATOM 0 HB2 LEU B 56 8.375 22.542 -6.016 1.00 0.00 H new ATOM 0 HB3 LEU B 56 9.712 21.674 -6.746 1.00 0.00 H new ATOM 0 HG LEU B 56 8.068 20.510 -8.249 1.00 0.00 H new ATOM 0 HD11 LEU B 56 5.823 21.491 -8.486 1.00 0.00 H new ATOM 0 HD12 LEU B 56 6.065 20.773 -6.876 1.00 0.00 H new ATOM 0 HD13 LEU B 56 6.137 22.539 -7.082 1.00 0.00 H new ATOM 0 HD21 LEU B 56 7.728 22.453 -9.722 1.00 0.00 H new ATOM 0 HD22 LEU B 56 8.126 23.541 -8.371 1.00 0.00 H new ATOM 0 HD23 LEU B 56 9.361 22.434 -9.017 1.00 0.00 H new ATOM 2092 N GLY B 57 9.014 18.111 -5.251 1.00 0.00 N ATOM 2093 CA GLY B 57 9.389 16.780 -5.709 1.00 0.00 C ATOM 2094 C GLY B 57 10.887 16.559 -5.781 1.00 0.00 C ATOM 2095 O GLY B 57 11.391 15.516 -5.352 1.00 0.00 O ATOM 0 H GLY B 57 8.745 18.160 -4.268 1.00 0.00 H new ATOM 0 HA2 GLY B 57 8.953 16.039 -5.039 1.00 0.00 H new ATOM 0 HA3 GLY B 57 8.958 16.610 -6.696 1.00 0.00 H new ATOM 2099 N PHE B 58 11.600 17.528 -6.343 1.00 0.00 N ATOM 2100 CA PHE B 58 13.047 17.446 -6.476 1.00 0.00 C ATOM 2101 C PHE B 58 13.710 17.555 -5.115 1.00 0.00 C ATOM 2102 O PHE B 58 13.297 18.354 -4.290 1.00 0.00 O ATOM 2103 CB PHE B 58 13.599 18.583 -7.340 1.00 0.00 C ATOM 2104 CG PHE B 58 12.941 18.760 -8.674 1.00 0.00 C ATOM 2105 CD1 PHE B 58 13.305 17.977 -9.757 1.00 0.00 C ATOM 2106 CD2 PHE B 58 11.975 19.735 -8.851 1.00 0.00 C ATOM 2107 CE1 PHE B 58 12.714 18.162 -10.991 1.00 0.00 C ATOM 2108 CE2 PHE B 58 11.385 19.926 -10.082 1.00 0.00 C ATOM 2109 CZ PHE B 58 11.754 19.138 -11.153 1.00 0.00 C ATOM 0 H PHE B 58 11.194 18.386 -6.716 1.00 0.00 H new ATOM 0 HA PHE B 58 13.264 16.486 -6.943 1.00 0.00 H new ATOM 0 HB2 PHE B 58 13.508 19.516 -6.783 1.00 0.00 H new ATOM 0 HB3 PHE B 58 14.663 18.410 -7.500 1.00 0.00 H new ATOM 0 HD1 PHE B 58 14.059 17.214 -9.635 1.00 0.00 H new ATOM 0 HD2 PHE B 58 11.680 20.353 -8.016 1.00 0.00 H new ATOM 0 HE1 PHE B 58 13.003 17.543 -11.828 1.00 0.00 H new ATOM 0 HE2 PHE B 58 10.634 20.692 -10.208 1.00 0.00 H new ATOM 0 HZ PHE B 58 11.291 19.286 -12.117 1.00 0.00 H new ATOM 2119 N GLU B 59 14.731 16.756 -4.887 1.00 0.00 N ATOM 2120 CA GLU B 59 15.596 16.956 -3.738 1.00 0.00 C ATOM 2121 C GLU B 59 16.986 17.327 -4.232 1.00 0.00 C ATOM 2122 O GLU B 59 17.753 16.474 -4.691 1.00 0.00 O ATOM 2123 CB GLU B 59 15.628 15.702 -2.862 1.00 0.00 C ATOM 2124 CG GLU B 59 16.793 15.646 -1.882 1.00 0.00 C ATOM 2125 CD GLU B 59 16.730 16.699 -0.786 1.00 0.00 C ATOM 2126 OE1 GLU B 59 16.767 17.903 -1.100 1.00 0.00 O ATOM 2127 OE2 GLU B 59 16.687 16.310 0.400 1.00 0.00 O ATOM 0 H GLU B 59 14.984 15.964 -5.478 1.00 0.00 H new ATOM 0 HA GLU B 59 15.211 17.767 -3.120 1.00 0.00 H new ATOM 0 HB2 GLU B 59 14.695 15.642 -2.302 1.00 0.00 H new ATOM 0 HB3 GLU B 59 15.670 14.824 -3.507 1.00 0.00 H new ATOM 0 HG2 GLU B 59 16.820 14.658 -1.422 1.00 0.00 H new ATOM 0 HG3 GLU B 59 17.725 15.766 -2.434 1.00 0.00 H new ATOM 2134 N PHE B 60 17.293 18.610 -4.154 1.00 0.00 N ATOM 2135 CA PHE B 60 18.541 19.130 -4.676 1.00 0.00 C ATOM 2136 C PHE B 60 19.659 18.957 -3.658 1.00 0.00 C ATOM 2137 O PHE B 60 19.845 19.794 -2.774 1.00 0.00 O ATOM 2138 CB PHE B 60 18.388 20.607 -5.051 1.00 0.00 C ATOM 2139 CG PHE B 60 18.655 20.896 -6.499 1.00 0.00 C ATOM 2140 CD1 PHE B 60 17.630 20.844 -7.430 1.00 0.00 C ATOM 2141 CD2 PHE B 60 19.930 21.226 -6.930 1.00 0.00 C ATOM 2142 CE1 PHE B 60 17.873 21.117 -8.764 1.00 0.00 C ATOM 2143 CE2 PHE B 60 20.178 21.501 -8.262 1.00 0.00 C ATOM 2144 CZ PHE B 60 19.147 21.446 -9.179 1.00 0.00 C ATOM 0 H PHE B 60 16.689 19.314 -3.730 1.00 0.00 H new ATOM 0 HA PHE B 60 18.800 18.567 -5.573 1.00 0.00 H new ATOM 0 HB2 PHE B 60 17.377 20.931 -4.806 1.00 0.00 H new ATOM 0 HB3 PHE B 60 19.069 21.200 -4.440 1.00 0.00 H new ATOM 0 HD1 PHE B 60 16.631 20.588 -7.111 1.00 0.00 H new ATOM 0 HD2 PHE B 60 20.740 21.269 -6.217 1.00 0.00 H new ATOM 0 HE1 PHE B 60 17.066 21.073 -9.480 1.00 0.00 H new ATOM 0 HE2 PHE B 60 21.176 21.758 -8.585 1.00 0.00 H new ATOM 0 HZ PHE B 60 19.338 21.660 -10.220 1.00 0.00 H new ATOM 2154 N LYS B 61 20.389 17.863 -3.773 1.00 0.00 N ATOM 2155 CA LYS B 61 21.499 17.596 -2.873 1.00 0.00 C ATOM 2156 C LYS B 61 22.800 18.106 -3.473 1.00 0.00 C ATOM 2157 O LYS B 61 23.547 17.352 -4.099 1.00 0.00 O ATOM 2158 CB LYS B 61 21.620 16.102 -2.574 1.00 0.00 C ATOM 2159 CG LYS B 61 20.500 15.530 -1.718 1.00 0.00 C ATOM 2160 CD LYS B 61 20.541 16.074 -0.299 1.00 0.00 C ATOM 2161 CE LYS B 61 20.084 15.029 0.713 1.00 0.00 C ATOM 2162 NZ LYS B 61 18.700 14.546 0.455 1.00 0.00 N ATOM 0 H LYS B 61 20.235 17.144 -4.480 1.00 0.00 H new ATOM 0 HA LYS B 61 21.303 18.120 -1.938 1.00 0.00 H new ATOM 0 HB2 LYS B 61 21.651 15.558 -3.518 1.00 0.00 H new ATOM 0 HB3 LYS B 61 22.570 15.922 -2.072 1.00 0.00 H new ATOM 0 HG2 LYS B 61 19.538 15.769 -2.171 1.00 0.00 H new ATOM 0 HG3 LYS B 61 20.580 14.443 -1.693 1.00 0.00 H new ATOM 0 HD2 LYS B 61 21.555 16.394 -0.060 1.00 0.00 H new ATOM 0 HD3 LYS B 61 19.903 16.955 -0.227 1.00 0.00 H new ATOM 0 HE2 LYS B 61 20.770 14.182 0.690 1.00 0.00 H new ATOM 0 HE3 LYS B 61 20.135 15.453 1.716 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 18.518 13.693 1.022 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 18.019 15.287 0.717 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 18.594 14.319 -0.554 1.00 0.00 H new ATOM 2176 N ASN B 62 23.060 19.392 -3.298 1.00 0.00 N ATOM 2177 CA ASN B 62 24.286 19.997 -3.809 1.00 0.00 C ATOM 2178 C ASN B 62 25.445 19.740 -2.853 1.00 0.00 C ATOM 2179 O ASN B 62 26.017 20.679 -2.293 1.00 0.00 O ATOM 2180 CB ASN B 62 24.102 21.505 -4.025 1.00 0.00 C ATOM 2181 CG ASN B 62 23.199 21.824 -5.200 1.00 0.00 C ATOM 2182 OD1 ASN B 62 23.141 21.078 -6.178 1.00 0.00 O ATOM 2183 ND2 ASN B 62 22.494 22.942 -5.121 1.00 0.00 N ATOM 0 H ASN B 62 22.442 20.038 -2.807 1.00 0.00 H new ATOM 0 HA ASN B 62 24.515 19.538 -4.771 1.00 0.00 H new ATOM 0 HB2 ASN B 62 23.685 21.949 -3.121 1.00 0.00 H new ATOM 0 HB3 ASN B 62 25.077 21.966 -4.186 1.00 0.00 H new ATOM 0 HD21 ASN B 62 21.876 23.211 -5.887 1.00 0.00 H new ATOM 0 HD22 ASN B 62 22.569 23.535 -4.294 1.00 0.00 H new ATOM 2190 N ALA B 63 25.742 18.454 -2.637 1.00 0.00 N ATOM 2191 CA ALA B 63 26.852 18.000 -1.784 1.00 0.00 C ATOM 2192 C ALA B 63 26.622 18.290 -0.296 1.00 0.00 C ATOM 2193 O ALA B 63 27.148 17.582 0.564 1.00 0.00 O ATOM 2194 CB ALA B 63 28.174 18.603 -2.247 1.00 0.00 C ATOM 0 H ALA B 63 25.213 17.688 -3.054 1.00 0.00 H new ATOM 0 HA ALA B 63 26.897 16.916 -1.890 1.00 0.00 H new ATOM 0 HB1 ALA B 63 28.979 18.253 -1.601 1.00 0.00 H new ATOM 0 HB2 ALA B 63 28.373 18.297 -3.274 1.00 0.00 H new ATOM 0 HB3 ALA B 63 28.115 19.690 -2.197 1.00 0.00 H new ATOM 2200 N GLN B 64 25.837 19.329 0.001 1.00 0.00 N ATOM 2201 CA GLN B 64 25.597 19.780 1.373 1.00 0.00 C ATOM 2202 C GLN B 64 26.875 20.360 1.974 1.00 0.00 C ATOM 2203 O GLN B 64 27.000 20.510 3.189 1.00 0.00 O ATOM 2204 CB GLN B 64 25.062 18.642 2.253 1.00 0.00 C ATOM 2205 CG GLN B 64 23.634 18.235 1.930 1.00 0.00 C ATOM 2206 CD GLN B 64 23.157 17.071 2.776 1.00 0.00 C ATOM 2207 OE1 GLN B 64 23.940 16.202 3.153 1.00 0.00 O ATOM 2208 NE2 GLN B 64 21.871 17.055 3.092 1.00 0.00 N ATOM 0 H GLN B 64 25.350 19.881 -0.704 1.00 0.00 H new ATOM 0 HA GLN B 64 24.837 20.560 1.338 1.00 0.00 H new ATOM 0 HB2 GLN B 64 25.711 17.774 2.142 1.00 0.00 H new ATOM 0 HB3 GLN B 64 25.115 18.948 3.298 1.00 0.00 H new ATOM 0 HG2 GLN B 64 22.973 19.088 2.085 1.00 0.00 H new ATOM 0 HG3 GLN B 64 23.566 17.966 0.876 1.00 0.00 H new ATOM 0 HE21 GLN B 64 21.255 17.796 2.758 1.00 0.00 H new ATOM 0 HE22 GLN B 64 21.497 16.302 3.669 1.00 0.00 H new ATOM 2217 N LEU B 65 27.812 20.705 1.100 1.00 0.00 N ATOM 2218 CA LEU B 65 29.080 21.277 1.517 1.00 0.00 C ATOM 2219 C LEU B 65 29.280 22.642 0.889 1.00 0.00 C ATOM 2220 O LEU B 65 29.283 22.777 -0.334 1.00 0.00 O ATOM 2221 CB LEU B 65 30.245 20.371 1.116 1.00 0.00 C ATOM 2222 CG LEU B 65 30.331 19.042 1.863 1.00 0.00 C ATOM 2223 CD1 LEU B 65 31.514 18.231 1.358 1.00 0.00 C ATOM 2224 CD2 LEU B 65 30.450 19.284 3.361 1.00 0.00 C ATOM 0 H LEU B 65 27.713 20.596 0.091 1.00 0.00 H new ATOM 0 HA LEU B 65 29.057 21.374 2.602 1.00 0.00 H new ATOM 0 HB2 LEU B 65 30.171 20.164 0.048 1.00 0.00 H new ATOM 0 HB3 LEU B 65 31.176 20.916 1.271 1.00 0.00 H new ATOM 0 HG LEU B 65 29.418 18.476 1.677 1.00 0.00 H new ATOM 0 HD11 LEU B 65 31.564 17.286 1.898 1.00 0.00 H new ATOM 0 HD12 LEU B 65 31.392 18.034 0.293 1.00 0.00 H new ATOM 0 HD13 LEU B 65 32.435 18.791 1.520 1.00 0.00 H new ATOM 0 HD21 LEU B 65 30.510 18.328 3.880 1.00 0.00 H new ATOM 0 HD22 LEU B 65 31.349 19.865 3.565 1.00 0.00 H new ATOM 0 HD23 LEU B 65 29.576 19.833 3.712 1.00 0.00 H new