USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=11 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= -7.11! C(o=-8.6!,f=-16!) USER MOD Set 1.2: B 35 TYR OH : rot 30:sc= -1.44! USER MOD Set 2.1: A 21 GLN :FLIP amide:sc= -0.946 F(o=-3!,f=-0.95) USER MOD Set 2.2: A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -45:sc= 1.12 USER MOD Single : A 47 ASN : amide:sc= 0.00452 X(o=0.0045,f=-0.48) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 1.01 K(o=1,f=-1.1) USER MOD Single : A 61 LYS NZ :NH3+ -179:sc= 1.15 (180deg=1.09) USER MOD Single : A 62 ASN : amide:sc= 0.36 K(o=0.36,f=-5.3!) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 THR OG1 : rot -52:sc= 0.893 USER MOD Single : B 47 ASN : amide:sc= 0.121 K(o=0.12,f=-7.8!) USER MOD Single : B 51 TYR OH : rot -151:sc= 1.29 USER MOD Single : B 55 GLN : amide:sc= 0.19 K(o=0.19,f=-0.73) USER MOD Single : B 61 LYS NZ :NH3+ -110:sc= -0.0196 (180deg=-0.532) USER MOD Single : B 62 ASN : amide:sc= -1.1 K(o=-1.1,f=-4.4) USER MOD Single : B 64 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 297 N ASP A 19 28.885 7.521 4.033 1.00 0.00 N ATOM 298 CA ASP A 19 27.790 6.570 4.208 1.00 0.00 C ATOM 299 C ASP A 19 27.659 5.705 2.962 1.00 0.00 C ATOM 300 O ASP A 19 27.247 4.547 3.030 1.00 0.00 O ATOM 301 CB ASP A 19 26.473 7.300 4.492 1.00 0.00 C ATOM 302 CG ASP A 19 25.353 6.348 4.867 1.00 0.00 C ATOM 303 OD1 ASP A 19 25.427 5.735 5.954 1.00 0.00 O ATOM 304 OD2 ASP A 19 24.384 6.218 4.088 1.00 0.00 O ATOM 0 HA ASP A 19 28.013 5.934 5.065 1.00 0.00 H new ATOM 0 HB2 ASP A 19 26.624 8.015 5.301 1.00 0.00 H new ATOM 0 HB3 ASP A 19 26.180 7.872 3.611 1.00 0.00 H new ATOM 309 N VAL A 20 28.045 6.292 1.831 1.00 0.00 N ATOM 310 CA VAL A 20 28.055 5.619 0.533 1.00 0.00 C ATOM 311 C VAL A 20 26.637 5.381 0.025 1.00 0.00 C ATOM 312 O VAL A 20 25.883 4.571 0.567 1.00 0.00 O ATOM 313 CB VAL A 20 28.837 4.284 0.551 1.00 0.00 C ATOM 314 CG1 VAL A 20 28.882 3.678 -0.847 1.00 0.00 C ATOM 315 CG2 VAL A 20 30.248 4.490 1.089 1.00 0.00 C ATOM 0 H VAL A 20 28.364 7.260 1.789 1.00 0.00 H new ATOM 0 HA VAL A 20 28.575 6.292 -0.149 1.00 0.00 H new ATOM 0 HB VAL A 20 28.318 3.592 1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 20 29.435 2.739 -0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 20 27.866 3.490 -1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 20 29.377 4.371 -1.528 1.00 0.00 H new ATOM 0 HG21 VAL A 20 30.779 3.538 1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 20 30.779 5.199 0.455 1.00 0.00 H new ATOM 0 HG23 VAL A 20 30.196 4.880 2.105 1.00 0.00 H new ATOM 325 N GLN A 21 26.289 6.100 -1.026 1.00 0.00 N ATOM 326 CA GLN A 21 24.955 6.043 -1.595 1.00 0.00 C ATOM 327 C GLN A 21 25.025 5.637 -3.062 1.00 0.00 C ATOM 328 O GLN A 21 26.066 5.779 -3.698 1.00 0.00 O ATOM 329 CB GLN A 21 24.274 7.407 -1.455 1.00 0.00 C ATOM 330 CG GLN A 21 25.197 8.574 -1.766 1.00 0.00 C ATOM 331 CD GLN A 21 24.467 9.898 -1.843 1.00 0.00 C ATOM 332 OE1 GLN A 21 24.047 10.265 -3.041 1.00 0.00 O flip ATOM 333 NE2 GLN A 21 24.289 10.586 -0.842 1.00 0.00 N flip ATOM 0 H GLN A 21 26.921 6.739 -1.508 1.00 0.00 H new ATOM 0 HA GLN A 21 24.370 5.297 -1.056 1.00 0.00 H new ATOM 0 HB2 GLN A 21 23.413 7.446 -2.122 1.00 0.00 H new ATOM 0 HB3 GLN A 21 23.895 7.513 -0.439 1.00 0.00 H new ATOM 0 HG2 GLN A 21 25.969 8.635 -0.999 1.00 0.00 H new ATOM 0 HG3 GLN A 21 25.703 8.388 -2.713 1.00 0.00 H new ATOM 0 HE21 GLN A 21 24.630 10.265 0.064 1.00 0.00 H new ATOM 0 HE22 GLN A 21 23.800 11.478 -0.917 1.00 0.00 H new ATOM 342 N ILE A 22 23.927 5.122 -3.589 1.00 0.00 N ATOM 343 CA ILE A 22 23.854 4.750 -4.995 1.00 0.00 C ATOM 344 C ILE A 22 22.776 5.571 -5.696 1.00 0.00 C ATOM 345 O ILE A 22 21.765 5.916 -5.083 1.00 0.00 O ATOM 346 CB ILE A 22 23.557 3.239 -5.165 1.00 0.00 C ATOM 347 CG1 ILE A 22 24.685 2.400 -4.557 1.00 0.00 C ATOM 348 CG2 ILE A 22 23.369 2.882 -6.633 1.00 0.00 C ATOM 349 CD1 ILE A 22 24.521 0.915 -4.781 1.00 0.00 C ATOM 0 H ILE A 22 23.070 4.951 -3.063 1.00 0.00 H new ATOM 0 HA ILE A 22 24.823 4.958 -5.448 1.00 0.00 H new ATOM 0 HB ILE A 22 22.629 3.016 -4.638 1.00 0.00 H new ATOM 0 HG12 ILE A 22 25.636 2.721 -4.983 1.00 0.00 H new ATOM 0 HG13 ILE A 22 24.734 2.594 -3.486 1.00 0.00 H new ATOM 0 HG21 ILE A 22 23.162 1.816 -6.725 1.00 0.00 H new ATOM 0 HG22 ILE A 22 22.533 3.450 -7.042 1.00 0.00 H new ATOM 0 HG23 ILE A 22 24.277 3.124 -7.185 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.356 0.384 -4.324 1.00 0.00 H new ATOM 0 HD12 ILE A 22 23.587 0.580 -4.330 1.00 0.00 H new ATOM 0 HD13 ILE A 22 24.502 0.708 -5.851 1.00 0.00 H new ATOM 361 N ASP A 23 23.003 5.902 -6.964 1.00 0.00 N ATOM 362 CA ASP A 23 22.029 6.645 -7.748 1.00 0.00 C ATOM 363 C ASP A 23 20.893 5.714 -8.204 1.00 0.00 C ATOM 364 O ASP A 23 20.694 4.632 -7.645 1.00 0.00 O ATOM 365 CB ASP A 23 22.713 7.297 -8.962 1.00 0.00 C ATOM 366 CG ASP A 23 22.833 6.368 -10.157 1.00 0.00 C ATOM 367 OD1 ASP A 23 23.365 5.252 -10.003 1.00 0.00 O ATOM 368 OD2 ASP A 23 22.339 6.742 -11.243 1.00 0.00 O ATOM 0 H ASP A 23 23.857 5.665 -7.469 1.00 0.00 H new ATOM 0 HA ASP A 23 21.602 7.432 -7.127 1.00 0.00 H new ATOM 0 HB2 ASP A 23 22.149 8.183 -9.255 1.00 0.00 H new ATOM 0 HB3 ASP A 23 23.708 7.634 -8.672 1.00 0.00 H new ATOM 373 N PHE A 24 20.157 6.136 -9.223 1.00 0.00 N ATOM 374 CA PHE A 24 18.999 5.401 -9.702 1.00 0.00 C ATOM 375 C PHE A 24 19.404 4.240 -10.610 1.00 0.00 C ATOM 376 O PHE A 24 18.661 3.267 -10.745 1.00 0.00 O ATOM 377 CB PHE A 24 18.066 6.361 -10.449 1.00 0.00 C ATOM 378 CG PHE A 24 16.766 5.751 -10.886 1.00 0.00 C ATOM 379 CD1 PHE A 24 15.763 5.495 -9.965 1.00 0.00 C ATOM 380 CD2 PHE A 24 16.543 5.439 -12.218 1.00 0.00 C ATOM 381 CE1 PHE A 24 14.563 4.939 -10.362 1.00 0.00 C ATOM 382 CE2 PHE A 24 15.344 4.883 -12.622 1.00 0.00 C ATOM 383 CZ PHE A 24 14.353 4.634 -11.693 1.00 0.00 C ATOM 0 H PHE A 24 20.347 6.995 -9.738 1.00 0.00 H new ATOM 0 HA PHE A 24 18.481 4.975 -8.843 1.00 0.00 H new ATOM 0 HB2 PHE A 24 17.854 7.215 -9.806 1.00 0.00 H new ATOM 0 HB3 PHE A 24 18.586 6.744 -11.327 1.00 0.00 H new ATOM 0 HD1 PHE A 24 15.922 5.733 -8.924 1.00 0.00 H new ATOM 0 HD2 PHE A 24 17.315 5.633 -12.948 1.00 0.00 H new ATOM 0 HE1 PHE A 24 13.790 4.743 -9.633 1.00 0.00 H new ATOM 0 HE2 PHE A 24 15.182 4.644 -13.663 1.00 0.00 H new ATOM 0 HZ PHE A 24 13.415 4.201 -12.007 1.00 0.00 H new ATOM 393 N TYR A 25 20.579 4.327 -11.223 1.00 0.00 N ATOM 394 CA TYR A 25 20.985 3.328 -12.203 1.00 0.00 C ATOM 395 C TYR A 25 22.025 2.345 -11.663 1.00 0.00 C ATOM 396 O TYR A 25 22.408 1.404 -12.360 1.00 0.00 O ATOM 397 CB TYR A 25 21.479 4.005 -13.482 1.00 0.00 C ATOM 398 CG TYR A 25 20.343 4.517 -14.340 1.00 0.00 C ATOM 399 CD1 TYR A 25 19.676 3.663 -15.205 1.00 0.00 C ATOM 400 CD2 TYR A 25 19.924 5.840 -14.269 1.00 0.00 C ATOM 401 CE1 TYR A 25 18.625 4.110 -15.980 1.00 0.00 C ATOM 402 CE2 TYR A 25 18.868 6.295 -15.040 1.00 0.00 C ATOM 403 CZ TYR A 25 18.225 5.424 -15.895 1.00 0.00 C ATOM 404 OH TYR A 25 17.167 5.863 -16.663 1.00 0.00 O ATOM 0 H TYR A 25 21.259 5.069 -11.061 1.00 0.00 H new ATOM 0 HA TYR A 25 20.100 2.735 -12.434 1.00 0.00 H new ATOM 0 HB2 TYR A 25 22.135 4.835 -13.220 1.00 0.00 H new ATOM 0 HB3 TYR A 25 22.075 3.297 -14.058 1.00 0.00 H new ATOM 0 HD1 TYR A 25 19.984 2.630 -15.274 1.00 0.00 H new ATOM 0 HD2 TYR A 25 20.430 6.523 -13.603 1.00 0.00 H new ATOM 0 HE1 TYR A 25 18.119 3.431 -16.650 1.00 0.00 H new ATOM 0 HE2 TYR A 25 18.550 7.325 -14.973 1.00 0.00 H new ATOM 0 HH TYR A 25 17.008 6.814 -16.488 1.00 0.00 H new ATOM 414 N GLY A 26 22.488 2.555 -10.437 1.00 0.00 N ATOM 415 CA GLY A 26 23.325 1.559 -9.795 1.00 0.00 C ATOM 416 C GLY A 26 24.792 1.934 -9.746 1.00 0.00 C ATOM 417 O GLY A 26 25.659 1.058 -9.751 1.00 0.00 O ATOM 0 H GLY A 26 22.301 3.389 -9.880 1.00 0.00 H new ATOM 0 HA2 GLY A 26 22.967 1.397 -8.778 1.00 0.00 H new ATOM 0 HA3 GLY A 26 23.219 0.612 -10.325 1.00 0.00 H new ATOM 421 N ASP A 27 25.081 3.224 -9.704 1.00 0.00 N ATOM 422 CA ASP A 27 26.451 3.694 -9.542 1.00 0.00 C ATOM 423 C ASP A 27 26.596 4.405 -8.206 1.00 0.00 C ATOM 424 O ASP A 27 25.638 4.998 -7.704 1.00 0.00 O ATOM 425 CB ASP A 27 26.854 4.629 -10.687 1.00 0.00 C ATOM 426 CG ASP A 27 27.026 3.898 -12.003 1.00 0.00 C ATOM 427 OD1 ASP A 27 28.062 3.220 -12.181 1.00 0.00 O ATOM 428 OD2 ASP A 27 26.130 3.993 -12.871 1.00 0.00 O ATOM 0 H ASP A 27 24.386 3.967 -9.780 1.00 0.00 H new ATOM 0 HA ASP A 27 27.116 2.831 -9.565 1.00 0.00 H new ATOM 0 HB2 ASP A 27 26.096 5.404 -10.802 1.00 0.00 H new ATOM 0 HB3 ASP A 27 27.787 5.131 -10.430 1.00 0.00 H new ATOM 433 N GLU A 28 27.783 4.333 -7.619 1.00 0.00 N ATOM 434 CA GLU A 28 28.019 4.946 -6.322 1.00 0.00 C ATOM 435 C GLU A 28 28.135 6.449 -6.460 1.00 0.00 C ATOM 436 O GLU A 28 28.912 6.950 -7.275 1.00 0.00 O ATOM 437 CB GLU A 28 29.298 4.415 -5.680 1.00 0.00 C ATOM 438 CG GLU A 28 29.312 2.917 -5.477 1.00 0.00 C ATOM 439 CD GLU A 28 30.648 2.422 -4.972 1.00 0.00 C ATOM 440 OE1 GLU A 28 31.575 2.270 -5.797 1.00 0.00 O ATOM 441 OE2 GLU A 28 30.780 2.178 -3.756 1.00 0.00 O ATOM 0 H GLU A 28 28.593 3.859 -8.019 1.00 0.00 H new ATOM 0 HA GLU A 28 27.170 4.694 -5.687 1.00 0.00 H new ATOM 0 HB2 GLU A 28 30.147 4.694 -6.303 1.00 0.00 H new ATOM 0 HB3 GLU A 28 29.437 4.903 -4.715 1.00 0.00 H new ATOM 0 HG2 GLU A 28 28.532 2.641 -4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 28 29.075 2.422 -6.419 1.00 0.00 H new ATOM 448 N VAL A 29 27.361 7.157 -5.668 1.00 0.00 N ATOM 449 CA VAL A 29 27.474 8.592 -5.597 1.00 0.00 C ATOM 450 C VAL A 29 28.366 8.955 -4.426 1.00 0.00 C ATOM 451 O VAL A 29 28.058 8.639 -3.272 1.00 0.00 O ATOM 452 CB VAL A 29 26.107 9.279 -5.437 1.00 0.00 C ATOM 453 CG1 VAL A 29 26.244 10.781 -5.620 1.00 0.00 C ATOM 454 CG2 VAL A 29 25.094 8.705 -6.415 1.00 0.00 C ATOM 0 H VAL A 29 26.644 6.758 -5.062 1.00 0.00 H new ATOM 0 HA VAL A 29 27.904 8.943 -6.535 1.00 0.00 H new ATOM 0 HB VAL A 29 25.743 9.088 -4.427 1.00 0.00 H new ATOM 0 HG11 VAL A 29 25.268 11.252 -5.504 1.00 0.00 H new ATOM 0 HG12 VAL A 29 26.930 11.178 -4.872 1.00 0.00 H new ATOM 0 HG13 VAL A 29 26.632 10.992 -6.616 1.00 0.00 H new ATOM 0 HG21 VAL A 29 24.136 9.207 -6.282 1.00 0.00 H new ATOM 0 HG22 VAL A 29 25.446 8.858 -7.435 1.00 0.00 H new ATOM 0 HG23 VAL A 29 24.973 7.638 -6.229 1.00 0.00 H new ATOM 464 N THR A 30 29.474 9.595 -4.723 1.00 0.00 N ATOM 465 CA THR A 30 30.456 9.923 -3.717 1.00 0.00 C ATOM 466 C THR A 30 30.562 11.442 -3.581 1.00 0.00 C ATOM 467 O THR A 30 30.021 12.169 -4.414 1.00 0.00 O ATOM 468 CB THR A 30 31.828 9.298 -4.070 1.00 0.00 C ATOM 469 OG1 THR A 30 32.329 9.846 -5.293 1.00 0.00 O ATOM 470 CG2 THR A 30 31.720 7.780 -4.203 1.00 0.00 C ATOM 0 H THR A 30 29.718 9.901 -5.665 1.00 0.00 H new ATOM 0 HA THR A 30 30.141 9.508 -2.760 1.00 0.00 H new ATOM 0 HB THR A 30 32.517 9.533 -3.259 1.00 0.00 H new ATOM 0 HG1 THR A 30 31.608 9.879 -5.956 1.00 0.00 H new ATOM 0 HG21 THR A 30 32.697 7.366 -4.451 1.00 0.00 H new ATOM 0 HG22 THR A 30 31.375 7.356 -3.260 1.00 0.00 H new ATOM 0 HG23 THR A 30 31.010 7.534 -4.993 1.00 0.00 H new ATOM 478 N PRO A 31 31.256 11.960 -2.544 1.00 0.00 N ATOM 479 CA PRO A 31 31.342 13.412 -2.278 1.00 0.00 C ATOM 480 C PRO A 31 32.122 14.203 -3.337 1.00 0.00 C ATOM 481 O PRO A 31 32.585 15.317 -3.076 1.00 0.00 O ATOM 482 CB PRO A 31 32.063 13.480 -0.927 1.00 0.00 C ATOM 483 CG PRO A 31 32.840 12.214 -0.847 1.00 0.00 C ATOM 484 CD PRO A 31 31.998 11.177 -1.534 1.00 0.00 C ATOM 0 HA PRO A 31 30.351 13.866 -2.290 1.00 0.00 H new ATOM 0 HB2 PRO A 31 32.717 14.350 -0.871 1.00 0.00 H new ATOM 0 HB3 PRO A 31 31.353 13.561 -0.104 1.00 0.00 H new ATOM 0 HG2 PRO A 31 33.809 12.318 -1.335 1.00 0.00 H new ATOM 0 HG3 PRO A 31 33.033 11.938 0.190 1.00 0.00 H new ATOM 0 HD2 PRO A 31 32.610 10.402 -1.995 1.00 0.00 H new ATOM 0 HD3 PRO A 31 31.325 10.678 -0.837 1.00 0.00 H new ATOM 492 N VAL A 32 32.268 13.638 -4.527 1.00 0.00 N ATOM 493 CA VAL A 32 32.964 14.312 -5.611 1.00 0.00 C ATOM 494 C VAL A 32 32.045 14.452 -6.823 1.00 0.00 C ATOM 495 O VAL A 32 32.189 15.373 -7.628 1.00 0.00 O ATOM 496 CB VAL A 32 34.249 13.560 -6.022 1.00 0.00 C ATOM 497 CG1 VAL A 32 35.055 14.371 -7.026 1.00 0.00 C ATOM 498 CG2 VAL A 32 35.092 13.228 -4.802 1.00 0.00 C ATOM 0 H VAL A 32 31.912 12.712 -4.766 1.00 0.00 H new ATOM 0 HA VAL A 32 33.250 15.300 -5.250 1.00 0.00 H new ATOM 0 HB VAL A 32 33.955 12.625 -6.499 1.00 0.00 H new ATOM 0 HG11 VAL A 32 35.955 13.820 -7.300 1.00 0.00 H new ATOM 0 HG12 VAL A 32 34.453 14.549 -7.917 1.00 0.00 H new ATOM 0 HG13 VAL A 32 35.335 15.326 -6.581 1.00 0.00 H new ATOM 0 HG21 VAL A 32 35.992 12.699 -5.115 1.00 0.00 H new ATOM 0 HG22 VAL A 32 35.372 14.149 -4.291 1.00 0.00 H new ATOM 0 HG23 VAL A 32 34.518 12.597 -4.123 1.00 0.00 H new ATOM 508 N ASP A 33 31.083 13.545 -6.938 1.00 0.00 N ATOM 509 CA ASP A 33 30.140 13.580 -8.043 1.00 0.00 C ATOM 510 C ASP A 33 28.798 14.143 -7.593 1.00 0.00 C ATOM 511 O ASP A 33 28.372 13.951 -6.457 1.00 0.00 O ATOM 512 CB ASP A 33 29.975 12.201 -8.705 1.00 0.00 C ATOM 513 CG ASP A 33 30.118 11.041 -7.743 1.00 0.00 C ATOM 514 OD1 ASP A 33 29.109 10.609 -7.170 1.00 0.00 O ATOM 515 OD2 ASP A 33 31.256 10.547 -7.574 1.00 0.00 O ATOM 0 H ASP A 33 30.937 12.779 -6.280 1.00 0.00 H new ATOM 0 HA ASP A 33 30.551 14.247 -8.801 1.00 0.00 H new ATOM 0 HB2 ASP A 33 28.994 12.150 -9.178 1.00 0.00 H new ATOM 0 HB3 ASP A 33 30.716 12.098 -9.497 1.00 0.00 H new ATOM 520 N ASP A 34 28.156 14.864 -8.499 1.00 0.00 N ATOM 521 CA ASP A 34 26.965 15.637 -8.179 1.00 0.00 C ATOM 522 C ASP A 34 25.707 14.788 -8.324 1.00 0.00 C ATOM 523 O ASP A 34 25.604 13.967 -9.240 1.00 0.00 O ATOM 524 CB ASP A 34 26.884 16.844 -9.110 1.00 0.00 C ATOM 525 CG ASP A 34 26.255 18.045 -8.446 1.00 0.00 C ATOM 526 OD1 ASP A 34 25.020 18.052 -8.264 1.00 0.00 O ATOM 527 OD2 ASP A 34 27.005 18.987 -8.097 1.00 0.00 O ATOM 0 H ASP A 34 28.445 14.930 -9.475 1.00 0.00 H new ATOM 0 HA ASP A 34 27.032 15.970 -7.143 1.00 0.00 H new ATOM 0 HB2 ASP A 34 27.886 17.104 -9.450 1.00 0.00 H new ATOM 0 HB3 ASP A 34 26.306 16.578 -9.995 1.00 0.00 H new ATOM 532 N TYR A 35 24.742 14.998 -7.438 1.00 0.00 N ATOM 533 CA TYR A 35 23.525 14.199 -7.438 1.00 0.00 C ATOM 534 C TYR A 35 22.344 15.004 -6.919 1.00 0.00 C ATOM 535 O TYR A 35 22.519 16.054 -6.308 1.00 0.00 O ATOM 536 CB TYR A 35 23.704 12.950 -6.568 1.00 0.00 C ATOM 537 CG TYR A 35 23.714 13.233 -5.079 1.00 0.00 C ATOM 538 CD1 TYR A 35 24.852 13.719 -4.445 1.00 0.00 C ATOM 539 CD2 TYR A 35 22.583 13.002 -4.306 1.00 0.00 C ATOM 540 CE1 TYR A 35 24.860 13.966 -3.087 1.00 0.00 C ATOM 541 CE2 TYR A 35 22.581 13.249 -2.949 1.00 0.00 C ATOM 542 CZ TYR A 35 23.723 13.730 -2.341 1.00 0.00 C ATOM 543 OH TYR A 35 23.731 13.972 -0.988 1.00 0.00 O ATOM 0 H TYR A 35 24.779 15.713 -6.712 1.00 0.00 H new ATOM 0 HA TYR A 35 23.326 13.901 -8.467 1.00 0.00 H new ATOM 0 HB2 TYR A 35 22.900 12.248 -6.789 1.00 0.00 H new ATOM 0 HB3 TYR A 35 24.639 12.460 -6.841 1.00 0.00 H new ATOM 0 HD1 TYR A 35 25.744 13.906 -5.024 1.00 0.00 H new ATOM 0 HD2 TYR A 35 21.688 12.622 -4.777 1.00 0.00 H new ATOM 0 HE1 TYR A 35 25.753 14.343 -2.610 1.00 0.00 H new ATOM 0 HE2 TYR A 35 21.691 13.067 -2.365 1.00 0.00 H new ATOM 0 HH TYR A 35 22.852 13.755 -0.612 1.00 0.00 H new ATOM 553 N VAL A 36 21.149 14.497 -7.166 1.00 0.00 N ATOM 554 CA VAL A 36 19.923 15.095 -6.658 1.00 0.00 C ATOM 555 C VAL A 36 18.985 13.992 -6.172 1.00 0.00 C ATOM 556 O VAL A 36 19.090 12.848 -6.622 1.00 0.00 O ATOM 557 CB VAL A 36 19.246 15.968 -7.745 1.00 0.00 C ATOM 558 CG1 VAL A 36 17.796 16.282 -7.423 1.00 0.00 C ATOM 559 CG2 VAL A 36 20.012 17.261 -7.917 1.00 0.00 C ATOM 0 H VAL A 36 20.999 13.657 -7.725 1.00 0.00 H new ATOM 0 HA VAL A 36 20.162 15.748 -5.819 1.00 0.00 H new ATOM 0 HB VAL A 36 19.260 15.392 -8.670 1.00 0.00 H new ATOM 0 HG11 VAL A 36 17.372 16.896 -8.218 1.00 0.00 H new ATOM 0 HG12 VAL A 36 17.232 15.353 -7.342 1.00 0.00 H new ATOM 0 HG13 VAL A 36 17.742 16.823 -6.478 1.00 0.00 H new ATOM 0 HG21 VAL A 36 19.531 17.870 -8.682 1.00 0.00 H new ATOM 0 HG22 VAL A 36 20.022 17.806 -6.973 1.00 0.00 H new ATOM 0 HG23 VAL A 36 21.036 17.040 -8.220 1.00 0.00 H new ATOM 569 N ILE A 37 18.113 14.315 -5.224 1.00 0.00 N ATOM 570 CA ILE A 37 17.213 13.329 -4.660 1.00 0.00 C ATOM 571 C ILE A 37 15.767 13.608 -5.069 1.00 0.00 C ATOM 572 O ILE A 37 15.126 14.575 -4.605 1.00 0.00 O ATOM 573 CB ILE A 37 17.359 13.247 -3.124 1.00 0.00 C ATOM 574 CG1 ILE A 37 18.774 12.774 -2.769 1.00 0.00 C ATOM 575 CG2 ILE A 37 16.316 12.311 -2.531 1.00 0.00 C ATOM 576 CD1 ILE A 37 19.046 12.697 -1.282 1.00 0.00 C ATOM 0 H ILE A 37 18.014 15.252 -4.833 1.00 0.00 H new ATOM 0 HA ILE A 37 17.490 12.356 -5.065 1.00 0.00 H new ATOM 0 HB ILE A 37 17.197 14.238 -2.700 1.00 0.00 H new ATOM 0 HG12 ILE A 37 18.937 11.790 -3.209 1.00 0.00 H new ATOM 0 HG13 ILE A 37 19.497 13.451 -3.225 1.00 0.00 H new ATOM 0 HG21 ILE A 37 16.438 12.269 -1.449 1.00 0.00 H new ATOM 0 HG22 ILE A 37 15.318 12.680 -2.770 1.00 0.00 H new ATOM 0 HG23 ILE A 37 16.443 11.313 -2.949 1.00 0.00 H new ATOM 0 HD11 ILE A 37 20.067 12.355 -1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 37 18.917 13.684 -0.837 1.00 0.00 H new ATOM 0 HD13 ILE A 37 18.349 11.997 -0.820 1.00 0.00 H new ATOM 588 N ASP A 38 15.276 12.740 -5.955 1.00 0.00 N ATOM 589 CA ASP A 38 13.938 12.855 -6.525 1.00 0.00 C ATOM 590 C ASP A 38 12.971 11.919 -5.822 1.00 0.00 C ATOM 591 O ASP A 38 12.837 10.751 -6.186 1.00 0.00 O ATOM 592 CB ASP A 38 13.939 12.519 -8.023 1.00 0.00 C ATOM 593 CG ASP A 38 14.451 13.639 -8.908 1.00 0.00 C ATOM 594 OD1 ASP A 38 15.428 14.309 -8.526 1.00 0.00 O ATOM 595 OD2 ASP A 38 13.878 13.831 -10.005 1.00 0.00 O ATOM 0 H ASP A 38 15.800 11.935 -6.297 1.00 0.00 H new ATOM 0 HA ASP A 38 13.620 13.889 -6.387 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.552 11.633 -8.185 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.924 12.264 -8.328 1.00 0.00 H new ATOM 600 N GLY A 39 12.339 12.423 -4.782 1.00 0.00 N ATOM 601 CA GLY A 39 11.280 11.676 -4.127 1.00 0.00 C ATOM 602 C GLY A 39 11.798 10.533 -3.280 1.00 0.00 C ATOM 603 O GLY A 39 11.087 9.566 -3.025 1.00 0.00 O ATOM 0 H GLY A 39 12.536 13.337 -4.374 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.701 12.353 -3.499 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.600 11.282 -4.882 1.00 0.00 H new ATOM 607 N GLY A 40 13.041 10.640 -2.844 1.00 0.00 N ATOM 608 CA GLY A 40 13.597 9.636 -1.964 1.00 0.00 C ATOM 609 C GLY A 40 14.765 8.912 -2.585 1.00 0.00 C ATOM 610 O GLY A 40 15.673 8.468 -1.884 1.00 0.00 O ATOM 0 H GLY A 40 13.675 11.403 -3.083 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.917 10.108 -1.035 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.822 8.915 -1.704 1.00 0.00 H new ATOM 614 N GLU A 41 14.753 8.793 -3.904 1.00 0.00 N ATOM 615 CA GLU A 41 15.837 8.128 -4.601 1.00 0.00 C ATOM 616 C GLU A 41 16.868 9.130 -5.091 1.00 0.00 C ATOM 617 O GLU A 41 16.584 10.316 -5.247 1.00 0.00 O ATOM 618 CB GLU A 41 15.321 7.284 -5.764 1.00 0.00 C ATOM 619 CG GLU A 41 14.619 6.019 -5.308 1.00 0.00 C ATOM 620 CD GLU A 41 14.307 5.080 -6.451 1.00 0.00 C ATOM 621 OE1 GLU A 41 15.218 4.343 -6.886 1.00 0.00 O ATOM 622 OE2 GLU A 41 13.148 5.057 -6.904 1.00 0.00 O ATOM 0 H GLU A 41 14.010 9.146 -4.507 1.00 0.00 H new ATOM 0 HA GLU A 41 16.318 7.459 -3.887 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.632 7.881 -6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 41 16.156 7.017 -6.412 1.00 0.00 H new ATOM 0 HG2 GLU A 41 15.245 5.503 -4.580 1.00 0.00 H new ATOM 0 HG3 GLU A 41 13.693 6.286 -4.799 1.00 0.00 H new ATOM 629 N ILE A 42 18.061 8.629 -5.333 1.00 0.00 N ATOM 630 CA ILE A 42 19.194 9.449 -5.712 1.00 0.00 C ATOM 631 C ILE A 42 19.459 9.318 -7.198 1.00 0.00 C ATOM 632 O ILE A 42 19.354 8.233 -7.748 1.00 0.00 O ATOM 633 CB ILE A 42 20.447 9.009 -4.929 1.00 0.00 C ATOM 634 CG1 ILE A 42 20.192 9.147 -3.431 1.00 0.00 C ATOM 635 CG2 ILE A 42 21.664 9.820 -5.346 1.00 0.00 C ATOM 636 CD1 ILE A 42 21.207 8.433 -2.571 1.00 0.00 C ATOM 0 H ILE A 42 18.274 7.633 -5.272 1.00 0.00 H new ATOM 0 HA ILE A 42 18.966 10.489 -5.478 1.00 0.00 H new ATOM 0 HB ILE A 42 20.654 7.964 -5.159 1.00 0.00 H new ATOM 0 HG12 ILE A 42 20.188 10.205 -3.169 1.00 0.00 H new ATOM 0 HG13 ILE A 42 19.199 8.758 -3.204 1.00 0.00 H new ATOM 0 HG21 ILE A 42 22.534 9.489 -4.778 1.00 0.00 H new ATOM 0 HG22 ILE A 42 21.850 9.677 -6.410 1.00 0.00 H new ATOM 0 HG23 ILE A 42 21.482 10.876 -5.149 1.00 0.00 H new ATOM 0 HD11 ILE A 42 20.959 8.577 -1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 42 21.196 7.368 -2.804 1.00 0.00 H new ATOM 0 HD13 ILE A 42 22.200 8.837 -2.768 1.00 0.00 H new ATOM 648 N ILE A 43 19.769 10.421 -7.853 1.00 0.00 N ATOM 649 CA ILE A 43 20.137 10.373 -9.258 1.00 0.00 C ATOM 650 C ILE A 43 21.410 11.170 -9.488 1.00 0.00 C ATOM 651 O ILE A 43 21.478 12.354 -9.142 1.00 0.00 O ATOM 652 CB ILE A 43 19.027 10.927 -10.193 1.00 0.00 C ATOM 653 CG1 ILE A 43 17.665 10.296 -9.889 1.00 0.00 C ATOM 654 CG2 ILE A 43 19.388 10.680 -11.650 1.00 0.00 C ATOM 655 CD1 ILE A 43 16.920 10.968 -8.754 1.00 0.00 C ATOM 0 H ILE A 43 19.774 11.354 -7.441 1.00 0.00 H new ATOM 0 HA ILE A 43 20.286 9.322 -9.504 1.00 0.00 H new ATOM 0 HB ILE A 43 18.955 11.999 -10.012 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.049 10.333 -10.788 1.00 0.00 H new ATOM 0 HG13 ILE A 43 17.809 9.244 -9.644 1.00 0.00 H new ATOM 0 HG21 ILE A 43 18.600 11.074 -12.292 1.00 0.00 H new ATOM 0 HG22 ILE A 43 20.329 11.180 -11.882 1.00 0.00 H new ATOM 0 HG23 ILE A 43 19.494 9.609 -11.822 1.00 0.00 H new ATOM 0 HD11 ILE A 43 15.965 10.466 -8.598 1.00 0.00 H new ATOM 0 HD12 ILE A 43 17.515 10.908 -7.843 1.00 0.00 H new ATOM 0 HD13 ILE A 43 16.743 12.014 -9.004 1.00 0.00 H new ATOM 667 N LEU A 44 22.431 10.515 -10.035 1.00 0.00 N ATOM 668 CA LEU A 44 23.641 11.207 -10.449 1.00 0.00 C ATOM 669 C LEU A 44 23.256 12.258 -11.488 1.00 0.00 C ATOM 670 O LEU A 44 22.473 11.971 -12.390 1.00 0.00 O ATOM 671 CB LEU A 44 24.643 10.198 -11.037 1.00 0.00 C ATOM 672 CG LEU A 44 26.134 10.520 -10.832 1.00 0.00 C ATOM 673 CD1 LEU A 44 26.537 11.793 -11.558 1.00 0.00 C ATOM 674 CD2 LEU A 44 26.454 10.632 -9.350 1.00 0.00 C ATOM 0 H LEU A 44 22.441 9.509 -10.200 1.00 0.00 H new ATOM 0 HA LEU A 44 24.116 11.693 -9.597 1.00 0.00 H new ATOM 0 HB2 LEU A 44 24.441 9.220 -10.600 1.00 0.00 H new ATOM 0 HB3 LEU A 44 24.455 10.113 -12.107 1.00 0.00 H new ATOM 0 HG LEU A 44 26.711 9.699 -11.258 1.00 0.00 H new ATOM 0 HD11 LEU A 44 27.596 11.988 -11.390 1.00 0.00 H new ATOM 0 HD12 LEU A 44 26.355 11.676 -12.626 1.00 0.00 H new ATOM 0 HD13 LEU A 44 25.950 12.629 -11.179 1.00 0.00 H new ATOM 0 HD21 LEU A 44 27.512 10.860 -9.222 1.00 0.00 H new ATOM 0 HD22 LEU A 44 25.855 11.428 -8.908 1.00 0.00 H new ATOM 0 HD23 LEU A 44 26.224 9.688 -8.856 1.00 0.00 H new ATOM 686 N ARG A 45 23.791 13.467 -11.359 1.00 0.00 N ATOM 687 CA ARG A 45 23.418 14.580 -12.238 1.00 0.00 C ATOM 688 C ARG A 45 23.669 14.276 -13.713 1.00 0.00 C ATOM 689 O ARG A 45 23.155 14.970 -14.586 1.00 0.00 O ATOM 690 CB ARG A 45 24.173 15.843 -11.842 1.00 0.00 C ATOM 691 CG ARG A 45 23.667 16.468 -10.558 1.00 0.00 C ATOM 692 CD ARG A 45 22.777 17.668 -10.811 1.00 0.00 C ATOM 693 NE ARG A 45 22.540 18.380 -9.565 1.00 0.00 N ATOM 694 CZ ARG A 45 21.948 19.566 -9.459 1.00 0.00 C ATOM 695 NH1 ARG A 45 21.402 20.144 -10.523 1.00 0.00 N ATOM 696 NH2 ARG A 45 21.884 20.165 -8.272 1.00 0.00 N ATOM 0 H ARG A 45 24.487 13.706 -10.653 1.00 0.00 H new ATOM 0 HA ARG A 45 22.346 14.732 -12.113 1.00 0.00 H new ATOM 0 HB2 ARG A 45 25.231 15.605 -11.729 1.00 0.00 H new ATOM 0 HB3 ARG A 45 24.094 16.572 -12.648 1.00 0.00 H new ATOM 0 HG2 ARG A 45 23.113 15.722 -9.988 1.00 0.00 H new ATOM 0 HG3 ARG A 45 24.516 16.772 -9.946 1.00 0.00 H new ATOM 0 HD2 ARG A 45 23.246 18.333 -11.536 1.00 0.00 H new ATOM 0 HD3 ARG A 45 21.829 17.345 -11.241 1.00 0.00 H new ATOM 0 HE ARG A 45 22.853 17.934 -8.703 1.00 0.00 H new ATOM 0 HH11 ARG A 45 21.435 19.678 -11.430 1.00 0.00 H new ATOM 0 HH12 ARG A 45 20.950 21.054 -10.433 1.00 0.00 H new ATOM 0 HH21 ARG A 45 22.288 19.714 -7.451 1.00 0.00 H new ATOM 0 HH22 ARG A 45 21.431 21.075 -8.184 1.00 0.00 H new ATOM 710 N GLU A 46 24.430 13.228 -13.987 1.00 0.00 N ATOM 711 CA GLU A 46 24.741 12.858 -15.361 1.00 0.00 C ATOM 712 C GLU A 46 23.590 12.056 -15.963 1.00 0.00 C ATOM 713 O GLU A 46 23.508 11.875 -17.179 1.00 0.00 O ATOM 714 CB GLU A 46 26.051 12.069 -15.413 1.00 0.00 C ATOM 715 CG GLU A 46 27.241 12.870 -14.908 1.00 0.00 C ATOM 716 CD GLU A 46 28.544 12.104 -14.969 1.00 0.00 C ATOM 717 OE1 GLU A 46 28.810 11.300 -14.053 1.00 0.00 O ATOM 718 OE2 GLU A 46 29.321 12.320 -15.920 1.00 0.00 O ATOM 0 H GLU A 46 24.843 12.620 -13.280 1.00 0.00 H new ATOM 0 HA GLU A 46 24.869 13.764 -15.954 1.00 0.00 H new ATOM 0 HB2 GLU A 46 25.948 11.163 -14.815 1.00 0.00 H new ATOM 0 HB3 GLU A 46 26.240 11.754 -16.439 1.00 0.00 H new ATOM 0 HG2 GLU A 46 27.335 13.781 -15.499 1.00 0.00 H new ATOM 0 HG3 GLU A 46 27.055 13.176 -13.878 1.00 0.00 H new ATOM 725 N ASN A 47 22.699 11.591 -15.093 1.00 0.00 N ATOM 726 CA ASN A 47 21.486 10.893 -15.511 1.00 0.00 C ATOM 727 C ASN A 47 20.265 11.715 -15.111 1.00 0.00 C ATOM 728 O ASN A 47 19.139 11.423 -15.515 1.00 0.00 O ATOM 729 CB ASN A 47 21.402 9.506 -14.852 1.00 0.00 C ATOM 730 CG ASN A 47 22.552 8.588 -15.228 1.00 0.00 C ATOM 731 OD1 ASN A 47 23.097 8.666 -16.328 1.00 0.00 O ATOM 732 ND2 ASN A 47 22.931 7.706 -14.309 1.00 0.00 N ATOM 0 H ASN A 47 22.796 11.686 -14.082 1.00 0.00 H new ATOM 0 HA ASN A 47 21.513 10.766 -16.593 1.00 0.00 H new ATOM 0 HB2 ASN A 47 21.383 9.627 -13.769 1.00 0.00 H new ATOM 0 HB3 ASN A 47 20.462 9.033 -15.136 1.00 0.00 H new ATOM 0 HD21 ASN A 47 23.699 7.063 -14.505 1.00 0.00 H new ATOM 0 HD22 ASN A 47 22.454 7.672 -13.408 1.00 0.00 H new ATOM 739 N LEU A 48 20.508 12.752 -14.309 1.00 0.00 N ATOM 740 CA LEU A 48 19.436 13.571 -13.757 1.00 0.00 C ATOM 741 C LEU A 48 18.752 14.389 -14.847 1.00 0.00 C ATOM 742 O LEU A 48 17.570 14.699 -14.743 1.00 0.00 O ATOM 743 CB LEU A 48 19.971 14.515 -12.669 1.00 0.00 C ATOM 744 CG LEU A 48 18.898 15.344 -11.967 1.00 0.00 C ATOM 745 CD1 LEU A 48 18.064 14.469 -11.046 1.00 0.00 C ATOM 746 CD2 LEU A 48 19.529 16.490 -11.203 1.00 0.00 C ATOM 0 H LEU A 48 21.444 13.043 -14.028 1.00 0.00 H new ATOM 0 HA LEU A 48 18.706 12.894 -13.314 1.00 0.00 H new ATOM 0 HB2 LEU A 48 20.502 13.925 -11.923 1.00 0.00 H new ATOM 0 HB3 LEU A 48 20.699 15.191 -13.118 1.00 0.00 H new ATOM 0 HG LEU A 48 18.235 15.765 -12.723 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.305 15.078 -10.555 1.00 0.00 H new ATOM 0 HD12 LEU A 48 17.580 13.685 -11.629 1.00 0.00 H new ATOM 0 HD13 LEU A 48 18.708 14.015 -10.293 1.00 0.00 H new ATOM 0 HD21 LEU A 48 18.750 17.070 -10.709 1.00 0.00 H new ATOM 0 HD22 LEU A 48 20.216 16.094 -10.455 1.00 0.00 H new ATOM 0 HD23 LEU A 48 20.076 17.131 -11.895 1.00 0.00 H new ATOM 758 N GLU A 49 19.500 14.719 -15.890 1.00 0.00 N ATOM 759 CA GLU A 49 19.001 15.560 -16.973 1.00 0.00 C ATOM 760 C GLU A 49 17.710 14.988 -17.560 1.00 0.00 C ATOM 761 O GLU A 49 16.623 15.569 -17.405 1.00 0.00 O ATOM 762 CB GLU A 49 20.093 15.700 -18.046 1.00 0.00 C ATOM 763 CG GLU A 49 19.777 16.682 -19.167 1.00 0.00 C ATOM 764 CD GLU A 49 19.172 16.019 -20.391 1.00 0.00 C ATOM 765 OE1 GLU A 49 19.883 15.241 -21.067 1.00 0.00 O ATOM 766 OE2 GLU A 49 17.996 16.296 -20.702 1.00 0.00 O ATOM 0 H GLU A 49 20.466 14.414 -16.011 1.00 0.00 H new ATOM 0 HA GLU A 49 18.762 16.549 -16.582 1.00 0.00 H new ATOM 0 HB2 GLU A 49 21.018 16.011 -17.562 1.00 0.00 H new ATOM 0 HB3 GLU A 49 20.277 14.719 -18.485 1.00 0.00 H new ATOM 0 HG2 GLU A 49 19.087 17.439 -18.794 1.00 0.00 H new ATOM 0 HG3 GLU A 49 20.692 17.199 -19.457 1.00 0.00 H new ATOM 773 N ARG A 50 17.814 13.830 -18.193 1.00 0.00 N ATOM 774 CA ARG A 50 16.661 13.229 -18.834 1.00 0.00 C ATOM 775 C ARG A 50 15.652 12.768 -17.786 1.00 0.00 C ATOM 776 O ARG A 50 14.449 12.745 -18.043 1.00 0.00 O ATOM 777 CB ARG A 50 17.094 12.083 -19.772 1.00 0.00 C ATOM 778 CG ARG A 50 17.169 10.688 -19.153 1.00 0.00 C ATOM 779 CD ARG A 50 15.799 10.022 -19.068 1.00 0.00 C ATOM 780 NE ARG A 50 14.915 10.430 -20.165 1.00 0.00 N ATOM 781 CZ ARG A 50 14.731 9.730 -21.281 1.00 0.00 C ATOM 782 NH1 ARG A 50 15.427 8.621 -21.503 1.00 0.00 N ATOM 783 NH2 ARG A 50 13.850 10.149 -22.182 1.00 0.00 N ATOM 0 H ARG A 50 18.678 13.294 -18.275 1.00 0.00 H new ATOM 0 HA ARG A 50 16.168 13.978 -19.453 1.00 0.00 H new ATOM 0 HB2 ARG A 50 16.399 12.047 -20.611 1.00 0.00 H new ATOM 0 HB3 ARG A 50 18.074 12.328 -20.181 1.00 0.00 H new ATOM 0 HG2 ARG A 50 17.838 10.065 -19.746 1.00 0.00 H new ATOM 0 HG3 ARG A 50 17.600 10.758 -18.154 1.00 0.00 H new ATOM 0 HD2 ARG A 50 15.922 8.939 -19.086 1.00 0.00 H new ATOM 0 HD3 ARG A 50 15.333 10.274 -18.115 1.00 0.00 H new ATOM 0 HE ARG A 50 14.407 11.309 -20.065 1.00 0.00 H new ATOM 0 HH11 ARG A 50 16.109 8.300 -20.815 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.280 8.090 -22.361 1.00 0.00 H new ATOM 0 HH21 ARG A 50 13.318 11.004 -22.016 1.00 0.00 H new ATOM 0 HH22 ARG A 50 13.705 9.616 -23.040 1.00 0.00 H new ATOM 797 N TYR A 51 16.139 12.422 -16.598 1.00 0.00 N ATOM 798 CA TYR A 51 15.261 11.963 -15.530 1.00 0.00 C ATOM 799 C TYR A 51 14.334 13.092 -15.089 1.00 0.00 C ATOM 800 O TYR A 51 13.144 12.874 -14.860 1.00 0.00 O ATOM 801 CB TYR A 51 16.068 11.442 -14.337 1.00 0.00 C ATOM 802 CG TYR A 51 15.210 10.764 -13.293 1.00 0.00 C ATOM 803 CD1 TYR A 51 14.676 9.501 -13.523 1.00 0.00 C ATOM 804 CD2 TYR A 51 14.915 11.388 -12.087 1.00 0.00 C ATOM 805 CE1 TYR A 51 13.878 8.880 -12.581 1.00 0.00 C ATOM 806 CE2 TYR A 51 14.117 10.774 -11.142 1.00 0.00 C ATOM 807 CZ TYR A 51 13.602 9.521 -11.393 1.00 0.00 C ATOM 808 OH TYR A 51 12.799 8.911 -10.455 1.00 0.00 O ATOM 0 H TYR A 51 17.129 12.451 -16.353 1.00 0.00 H new ATOM 0 HA TYR A 51 14.660 11.140 -15.916 1.00 0.00 H new ATOM 0 HB2 TYR A 51 16.820 10.738 -14.694 1.00 0.00 H new ATOM 0 HB3 TYR A 51 16.602 12.273 -13.876 1.00 0.00 H new ATOM 0 HD1 TYR A 51 14.889 8.997 -14.454 1.00 0.00 H new ATOM 0 HD2 TYR A 51 15.317 12.370 -11.885 1.00 0.00 H new ATOM 0 HE1 TYR A 51 13.473 7.898 -12.775 1.00 0.00 H new ATOM 0 HE2 TYR A 51 13.898 11.274 -10.210 1.00 0.00 H new ATOM 0 HH TYR A 51 12.705 9.496 -9.675 1.00 0.00 H new ATOM 818 N LEU A 52 14.879 14.299 -14.995 1.00 0.00 N ATOM 819 CA LEU A 52 14.088 15.472 -14.651 1.00 0.00 C ATOM 820 C LEU A 52 13.070 15.777 -15.739 1.00 0.00 C ATOM 821 O LEU A 52 11.985 16.269 -15.457 1.00 0.00 O ATOM 822 CB LEU A 52 14.980 16.695 -14.429 1.00 0.00 C ATOM 823 CG LEU A 52 15.763 16.711 -13.117 1.00 0.00 C ATOM 824 CD1 LEU A 52 16.584 17.985 -13.016 1.00 0.00 C ATOM 825 CD2 LEU A 52 14.823 16.586 -11.927 1.00 0.00 C ATOM 0 H LEU A 52 15.868 14.490 -15.153 1.00 0.00 H new ATOM 0 HA LEU A 52 13.562 15.248 -13.723 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.688 16.761 -15.255 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.358 17.589 -14.471 1.00 0.00 H new ATOM 0 HG LEU A 52 16.439 15.856 -13.105 1.00 0.00 H new ATOM 0 HD11 LEU A 52 17.138 17.987 -12.078 1.00 0.00 H new ATOM 0 HD12 LEU A 52 17.283 18.034 -13.851 1.00 0.00 H new ATOM 0 HD13 LEU A 52 15.920 18.849 -13.047 1.00 0.00 H new ATOM 0 HD21 LEU A 52 15.402 16.600 -11.003 1.00 0.00 H new ATOM 0 HD22 LEU A 52 14.122 17.420 -11.928 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.271 15.648 -11.996 1.00 0.00 H new ATOM 837 N ARG A 53 13.425 15.497 -16.988 1.00 0.00 N ATOM 838 CA ARG A 53 12.485 15.697 -18.092 1.00 0.00 C ATOM 839 C ARG A 53 11.256 14.802 -17.936 1.00 0.00 C ATOM 840 O ARG A 53 10.132 15.226 -18.212 1.00 0.00 O ATOM 841 CB ARG A 53 13.142 15.412 -19.444 1.00 0.00 C ATOM 842 CG ARG A 53 14.512 16.036 -19.601 1.00 0.00 C ATOM 843 CD ARG A 53 14.922 16.147 -21.058 1.00 0.00 C ATOM 844 NE ARG A 53 14.671 14.926 -21.826 1.00 0.00 N ATOM 845 CZ ARG A 53 15.575 14.364 -22.621 1.00 0.00 C ATOM 846 NH1 ARG A 53 16.841 14.761 -22.571 1.00 0.00 N ATOM 847 NH2 ARG A 53 15.221 13.376 -23.432 1.00 0.00 N ATOM 0 H ARG A 53 14.339 15.137 -17.262 1.00 0.00 H new ATOM 0 HA ARG A 53 12.177 16.742 -18.061 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.227 14.333 -19.576 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.492 15.780 -20.238 1.00 0.00 H new ATOM 0 HG2 ARG A 53 14.513 17.027 -19.147 1.00 0.00 H new ATOM 0 HG3 ARG A 53 15.247 15.438 -19.062 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.382 16.974 -21.518 1.00 0.00 H new ATOM 0 HD3 ARG A 53 15.983 16.390 -21.112 1.00 0.00 H new ATOM 0 HE ARG A 53 13.755 14.484 -21.747 1.00 0.00 H new ATOM 0 HH11 ARG A 53 17.119 15.497 -21.922 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.535 14.330 -23.181 1.00 0.00 H new ATOM 0 HH21 ARG A 53 14.255 13.048 -23.445 1.00 0.00 H new ATOM 0 HH22 ARG A 53 15.915 12.944 -24.043 1.00 0.00 H new ATOM 861 N GLU A 54 11.470 13.569 -17.488 1.00 0.00 N ATOM 862 CA GLU A 54 10.384 12.603 -17.391 1.00 0.00 C ATOM 863 C GLU A 54 9.663 12.710 -16.046 1.00 0.00 C ATOM 864 O GLU A 54 8.441 12.842 -15.997 1.00 0.00 O ATOM 865 CB GLU A 54 10.903 11.172 -17.567 1.00 0.00 C ATOM 866 CG GLU A 54 11.931 10.995 -18.677 1.00 0.00 C ATOM 867 CD GLU A 54 11.509 11.575 -20.017 1.00 0.00 C ATOM 868 OE1 GLU A 54 10.307 11.526 -20.352 1.00 0.00 O ATOM 869 OE2 GLU A 54 12.397 12.063 -20.750 1.00 0.00 O ATOM 0 H GLU A 54 12.380 13.218 -17.188 1.00 0.00 H new ATOM 0 HA GLU A 54 9.681 12.833 -18.191 1.00 0.00 H new ATOM 0 HB2 GLU A 54 11.345 10.843 -16.626 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.056 10.516 -17.768 1.00 0.00 H new ATOM 0 HG2 GLU A 54 12.866 11.464 -18.369 1.00 0.00 H new ATOM 0 HG3 GLU A 54 12.134 9.931 -18.802 1.00 0.00 H new ATOM 876 N GLN A 55 10.428 12.648 -14.961 1.00 0.00 N ATOM 877 CA GLN A 55 9.860 12.612 -13.616 1.00 0.00 C ATOM 878 C GLN A 55 9.690 14.019 -13.053 1.00 0.00 C ATOM 879 O GLN A 55 8.619 14.376 -12.560 1.00 0.00 O ATOM 880 CB GLN A 55 10.765 11.800 -12.687 1.00 0.00 C ATOM 881 CG GLN A 55 10.145 11.535 -11.326 1.00 0.00 C ATOM 882 CD GLN A 55 8.980 10.569 -11.408 1.00 0.00 C ATOM 883 OE1 GLN A 55 8.953 9.687 -12.265 1.00 0.00 O ATOM 884 NE2 GLN A 55 8.000 10.740 -10.538 1.00 0.00 N ATOM 0 H GLN A 55 11.447 12.622 -14.986 1.00 0.00 H new ATOM 0 HA GLN A 55 8.879 12.141 -13.679 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.002 10.848 -13.162 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.707 12.332 -12.552 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.903 11.131 -10.655 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.805 12.476 -10.894 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.060 11.483 -9.842 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.184 10.129 -10.562 1.00 0.00 H new ATOM 893 N LEU A 56 10.774 14.788 -13.110 1.00 0.00 N ATOM 894 CA LEU A 56 10.797 16.176 -12.658 1.00 0.00 C ATOM 895 C LEU A 56 10.737 16.266 -11.135 1.00 0.00 C ATOM 896 O LEU A 56 9.995 17.074 -10.588 1.00 0.00 O ATOM 897 CB LEU A 56 9.656 16.983 -13.292 1.00 0.00 C ATOM 898 CG LEU A 56 10.071 18.316 -13.925 1.00 0.00 C ATOM 899 CD1 LEU A 56 8.882 18.969 -14.607 1.00 0.00 C ATOM 900 CD2 LEU A 56 10.664 19.254 -12.883 1.00 0.00 C ATOM 0 H LEU A 56 11.669 14.462 -13.475 1.00 0.00 H new ATOM 0 HA LEU A 56 11.743 16.609 -12.983 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.180 16.369 -14.056 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.904 17.181 -12.528 1.00 0.00 H new ATOM 0 HG LEU A 56 10.837 18.112 -14.673 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.192 19.915 -15.052 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.502 18.309 -15.386 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.098 19.153 -13.873 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.950 20.192 -13.359 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.924 19.451 -12.108 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.544 18.791 -12.435 1.00 0.00 H new ATOM 912 N GLY A 57 11.518 15.430 -10.459 1.00 0.00 N ATOM 913 CA GLY A 57 11.677 15.545 -9.018 1.00 0.00 C ATOM 914 C GLY A 57 10.532 14.957 -8.219 1.00 0.00 C ATOM 915 O GLY A 57 10.747 14.153 -7.312 1.00 0.00 O ATOM 0 H GLY A 57 12.048 14.670 -10.885 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.602 15.049 -8.725 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.784 16.598 -8.758 1.00 0.00 H new ATOM 919 N PHE A 58 9.316 15.357 -8.547 1.00 0.00 N ATOM 920 CA PHE A 58 8.146 14.967 -7.771 1.00 0.00 C ATOM 921 C PHE A 58 7.862 13.482 -7.929 1.00 0.00 C ATOM 922 O PHE A 58 7.672 12.998 -9.044 1.00 0.00 O ATOM 923 CB PHE A 58 6.904 15.735 -8.228 1.00 0.00 C ATOM 924 CG PHE A 58 7.093 17.217 -8.385 1.00 0.00 C ATOM 925 CD1 PHE A 58 7.031 18.061 -7.288 1.00 0.00 C ATOM 926 CD2 PHE A 58 7.310 17.766 -9.639 1.00 0.00 C ATOM 927 CE1 PHE A 58 7.182 19.427 -7.440 1.00 0.00 C ATOM 928 CE2 PHE A 58 7.464 19.130 -9.797 1.00 0.00 C ATOM 929 CZ PHE A 58 7.399 19.962 -8.695 1.00 0.00 C ATOM 0 H PHE A 58 9.110 15.954 -9.348 1.00 0.00 H new ATOM 0 HA PHE A 58 8.364 15.198 -6.728 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.572 15.324 -9.181 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.103 15.561 -7.509 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.863 17.648 -6.304 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.359 17.120 -10.503 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.130 20.075 -6.578 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.635 19.545 -10.779 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.518 21.029 -8.815 1.00 0.00 H new ATOM 939 N GLU A 59 7.822 12.748 -6.830 1.00 0.00 N ATOM 940 CA GLU A 59 7.354 11.378 -6.900 1.00 0.00 C ATOM 941 C GLU A 59 5.863 11.343 -6.614 1.00 0.00 C ATOM 942 O GLU A 59 5.434 11.443 -5.462 1.00 0.00 O ATOM 943 CB GLU A 59 8.108 10.450 -5.941 1.00 0.00 C ATOM 944 CG GLU A 59 7.609 9.014 -6.010 1.00 0.00 C ATOM 945 CD GLU A 59 8.580 8.010 -5.434 1.00 0.00 C ATOM 946 OE1 GLU A 59 9.423 7.492 -6.194 1.00 0.00 O ATOM 947 OE2 GLU A 59 8.477 7.698 -4.231 1.00 0.00 O ATOM 0 H GLU A 59 8.100 13.068 -5.902 1.00 0.00 H new ATOM 0 HA GLU A 59 7.549 11.008 -7.907 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.172 10.474 -6.178 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.000 10.820 -4.922 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.662 8.941 -5.474 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.408 8.757 -7.050 1.00 0.00 H new ATOM 954 N PHE A 60 5.079 11.222 -7.671 1.00 0.00 N ATOM 955 CA PHE A 60 3.636 11.170 -7.545 1.00 0.00 C ATOM 956 C PHE A 60 3.203 9.775 -7.151 1.00 0.00 C ATOM 957 O PHE A 60 3.057 8.897 -8.003 1.00 0.00 O ATOM 958 CB PHE A 60 2.953 11.576 -8.851 1.00 0.00 C ATOM 959 CG PHE A 60 3.259 12.981 -9.286 1.00 0.00 C ATOM 960 CD1 PHE A 60 2.576 14.054 -8.734 1.00 0.00 C ATOM 961 CD2 PHE A 60 4.225 13.230 -10.248 1.00 0.00 C ATOM 962 CE1 PHE A 60 2.850 15.347 -9.133 1.00 0.00 C ATOM 963 CE2 PHE A 60 4.503 14.522 -10.652 1.00 0.00 C ATOM 964 CZ PHE A 60 3.814 15.582 -10.092 1.00 0.00 C ATOM 0 H PHE A 60 5.421 11.158 -8.630 1.00 0.00 H new ATOM 0 HA PHE A 60 3.337 11.876 -6.770 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.258 10.887 -9.639 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.875 11.469 -8.734 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.821 13.876 -7.983 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.767 12.405 -10.687 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.310 16.174 -8.695 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.257 14.703 -11.404 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.030 16.593 -10.405 1.00 0.00 H new ATOM 974 N LYS A 61 3.022 9.564 -5.860 1.00 0.00 N ATOM 975 CA LYS A 61 2.620 8.263 -5.367 1.00 0.00 C ATOM 976 C LYS A 61 1.125 8.224 -5.120 1.00 0.00 C ATOM 977 O LYS A 61 0.642 8.516 -4.026 1.00 0.00 O ATOM 978 CB LYS A 61 3.388 7.884 -4.105 1.00 0.00 C ATOM 979 CG LYS A 61 4.441 6.811 -4.340 1.00 0.00 C ATOM 980 CD LYS A 61 5.165 6.456 -3.053 1.00 0.00 C ATOM 981 CE LYS A 61 6.059 5.235 -3.217 1.00 0.00 C ATOM 982 NZ LYS A 61 7.114 5.437 -4.242 1.00 0.00 N ATOM 0 H LYS A 61 3.147 10.274 -5.138 1.00 0.00 H new ATOM 0 HA LYS A 61 2.862 7.527 -6.134 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.870 8.774 -3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.683 7.533 -3.351 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.969 5.919 -4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.161 7.161 -5.080 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.767 7.305 -2.730 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.434 6.267 -2.267 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.526 5.000 -2.261 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.448 4.376 -3.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.685 4.572 -4.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.671 5.652 -5.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.726 6.229 -3.959 1.00 0.00 H new ATOM 996 N ASN A 62 0.404 7.886 -6.169 1.00 0.00 N ATOM 997 CA ASN A 62 -1.041 7.795 -6.127 1.00 0.00 C ATOM 998 C ASN A 62 -1.470 6.458 -5.534 1.00 0.00 C ATOM 999 O ASN A 62 -0.631 5.602 -5.238 1.00 0.00 O ATOM 1000 CB ASN A 62 -1.621 7.958 -7.540 1.00 0.00 C ATOM 1001 CG ASN A 62 -1.087 6.931 -8.535 1.00 0.00 C ATOM 1002 OD1 ASN A 62 0.047 6.460 -8.430 1.00 0.00 O ATOM 1003 ND2 ASN A 62 -1.900 6.582 -9.518 1.00 0.00 N ATOM 0 H ASN A 62 0.806 7.665 -7.080 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.424 8.596 -5.494 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.707 7.876 -7.491 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.394 8.960 -7.905 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.594 5.905 -10.217 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.833 6.990 -9.577 1.00 0.00 H new ATOM 1010 N ALA A 63 -2.772 6.275 -5.372 1.00 0.00 N ATOM 1011 CA ALA A 63 -3.307 5.017 -4.867 1.00 0.00 C ATOM 1012 C ALA A 63 -3.392 3.979 -5.980 1.00 0.00 C ATOM 1013 O ALA A 63 -3.914 2.883 -5.781 1.00 0.00 O ATOM 1014 CB ALA A 63 -4.678 5.239 -4.248 1.00 0.00 C ATOM 0 H ALA A 63 -3.478 6.980 -5.582 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.630 4.641 -4.100 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.066 4.291 -3.875 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.595 5.947 -3.424 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.357 5.638 -5.002 1.00 0.00 H new ATOM 1477 N ASP B 19 2.469 -0.681 6.009 1.00 0.00 N ATOM 1478 CA ASP B 19 2.003 0.209 4.951 1.00 0.00 C ATOM 1479 C ASP B 19 1.487 1.496 5.566 1.00 0.00 C ATOM 1480 O ASP B 19 0.989 2.385 4.875 1.00 0.00 O ATOM 1481 CB ASP B 19 0.904 -0.458 4.111 1.00 0.00 C ATOM 1482 CG ASP B 19 -0.335 -0.806 4.918 1.00 0.00 C ATOM 1483 OD1 ASP B 19 -0.386 -1.926 5.472 1.00 0.00 O ATOM 1484 OD2 ASP B 19 -1.264 0.021 4.984 1.00 0.00 O ATOM 0 HA ASP B 19 2.839 0.431 4.288 1.00 0.00 H new ATOM 0 HB2 ASP B 19 0.624 0.209 3.295 1.00 0.00 H new ATOM 0 HB3 ASP B 19 1.302 -1.366 3.658 1.00 0.00 H new ATOM 1489 N VAL B 20 1.635 1.591 6.878 1.00 0.00 N ATOM 1490 CA VAL B 20 1.170 2.743 7.620 1.00 0.00 C ATOM 1491 C VAL B 20 2.269 3.794 7.703 1.00 0.00 C ATOM 1492 O VAL B 20 3.103 3.771 8.608 1.00 0.00 O ATOM 1493 CB VAL B 20 0.722 2.358 9.047 1.00 0.00 C ATOM 1494 CG1 VAL B 20 0.012 3.522 9.724 1.00 0.00 C ATOM 1495 CG2 VAL B 20 -0.170 1.123 9.017 1.00 0.00 C ATOM 0 H VAL B 20 2.079 0.874 7.452 1.00 0.00 H new ATOM 0 HA VAL B 20 0.310 3.149 7.088 1.00 0.00 H new ATOM 0 HB VAL B 20 1.612 2.120 9.630 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -0.294 3.227 10.728 1.00 0.00 H new ATOM 0 HG12 VAL B 20 0.689 4.374 9.787 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -0.868 3.799 9.143 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -0.474 0.869 10.032 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -1.054 1.328 8.414 1.00 0.00 H new ATOM 0 HG23 VAL B 20 0.380 0.288 8.583 1.00 0.00 H new ATOM 1505 N GLN B 21 2.287 4.682 6.728 1.00 0.00 N ATOM 1506 CA GLN B 21 3.236 5.782 6.710 1.00 0.00 C ATOM 1507 C GLN B 21 2.508 7.077 7.044 1.00 0.00 C ATOM 1508 O GLN B 21 1.278 7.114 7.050 1.00 0.00 O ATOM 1509 CB GLN B 21 3.942 5.858 5.344 1.00 0.00 C ATOM 1510 CG GLN B 21 3.012 5.665 4.160 1.00 0.00 C ATOM 1511 CD GLN B 21 2.612 6.969 3.510 1.00 0.00 C ATOM 1512 OE1 GLN B 21 2.571 8.013 4.151 1.00 0.00 O ATOM 1513 NE2 GLN B 21 2.311 6.913 2.227 1.00 0.00 N ATOM 0 H GLN B 21 1.650 4.664 5.931 1.00 0.00 H new ATOM 0 HA GLN B 21 4.008 5.618 7.462 1.00 0.00 H new ATOM 0 HB2 GLN B 21 4.434 6.827 5.253 1.00 0.00 H new ATOM 0 HB3 GLN B 21 4.724 5.099 5.307 1.00 0.00 H new ATOM 0 HG2 GLN B 21 3.500 5.030 3.420 1.00 0.00 H new ATOM 0 HG3 GLN B 21 2.116 5.139 4.490 1.00 0.00 H new ATOM 0 HE21 GLN B 21 2.358 6.023 1.730 1.00 0.00 H new ATOM 0 HE22 GLN B 21 2.031 7.759 1.731 1.00 0.00 H new ATOM 1522 N ILE B 22 3.250 8.124 7.346 1.00 0.00 N ATOM 1523 CA ILE B 22 2.642 9.398 7.699 1.00 0.00 C ATOM 1524 C ILE B 22 3.237 10.508 6.846 1.00 0.00 C ATOM 1525 O ILE B 22 4.385 10.406 6.407 1.00 0.00 O ATOM 1526 CB ILE B 22 2.853 9.748 9.195 1.00 0.00 C ATOM 1527 CG1 ILE B 22 2.445 8.591 10.103 1.00 0.00 C ATOM 1528 CG2 ILE B 22 2.052 10.981 9.574 1.00 0.00 C ATOM 1529 CD1 ILE B 22 2.471 8.957 11.574 1.00 0.00 C ATOM 0 H ILE B 22 4.270 8.122 7.355 1.00 0.00 H new ATOM 0 HA ILE B 22 1.571 9.307 7.516 1.00 0.00 H new ATOM 0 HB ILE B 22 3.916 9.944 9.332 1.00 0.00 H new ATOM 0 HG12 ILE B 22 1.442 8.261 9.834 1.00 0.00 H new ATOM 0 HG13 ILE B 22 3.114 7.748 9.932 1.00 0.00 H new ATOM 0 HG21 ILE B 22 2.213 11.210 10.627 1.00 0.00 H new ATOM 0 HG22 ILE B 22 2.375 11.826 8.965 1.00 0.00 H new ATOM 0 HG23 ILE B 22 0.992 10.793 9.402 1.00 0.00 H new ATOM 0 HD11 ILE B 22 2.172 8.094 12.169 1.00 0.00 H new ATOM 0 HD12 ILE B 22 3.479 9.260 11.856 1.00 0.00 H new ATOM 0 HD13 ILE B 22 1.781 9.781 11.756 1.00 0.00 H new ATOM 1541 N ASP B 23 2.461 11.562 6.603 1.00 0.00 N ATOM 1542 CA ASP B 23 2.967 12.727 5.898 1.00 0.00 C ATOM 1543 C ASP B 23 3.941 13.501 6.804 1.00 0.00 C ATOM 1544 O ASP B 23 4.287 13.045 7.897 1.00 0.00 O ATOM 1545 CB ASP B 23 1.808 13.636 5.454 1.00 0.00 C ATOM 1546 CG ASP B 23 1.396 14.650 6.509 1.00 0.00 C ATOM 1547 OD1 ASP B 23 0.937 14.247 7.597 1.00 0.00 O ATOM 1548 OD2 ASP B 23 1.548 15.862 6.256 1.00 0.00 O ATOM 0 H ASP B 23 1.483 11.629 6.885 1.00 0.00 H new ATOM 0 HA ASP B 23 3.499 12.396 5.006 1.00 0.00 H new ATOM 0 HB2 ASP B 23 2.099 14.165 4.546 1.00 0.00 H new ATOM 0 HB3 ASP B 23 0.947 13.017 5.200 1.00 0.00 H new ATOM 1553 N PHE B 24 4.374 14.666 6.350 1.00 0.00 N ATOM 1554 CA PHE B 24 5.331 15.478 7.089 1.00 0.00 C ATOM 1555 C PHE B 24 4.731 16.027 8.389 1.00 0.00 C ATOM 1556 O PHE B 24 5.439 16.190 9.388 1.00 0.00 O ATOM 1557 CB PHE B 24 5.813 16.630 6.197 1.00 0.00 C ATOM 1558 CG PHE B 24 6.803 17.550 6.857 1.00 0.00 C ATOM 1559 CD1 PHE B 24 8.130 17.178 6.992 1.00 0.00 C ATOM 1560 CD2 PHE B 24 6.404 18.786 7.344 1.00 0.00 C ATOM 1561 CE1 PHE B 24 9.043 18.020 7.598 1.00 0.00 C ATOM 1562 CE2 PHE B 24 7.311 19.632 7.951 1.00 0.00 C ATOM 1563 CZ PHE B 24 8.632 19.248 8.078 1.00 0.00 C ATOM 0 H PHE B 24 4.075 15.075 5.465 1.00 0.00 H new ATOM 0 HA PHE B 24 6.174 14.845 7.366 1.00 0.00 H new ATOM 0 HB2 PHE B 24 6.266 16.213 5.298 1.00 0.00 H new ATOM 0 HB3 PHE B 24 4.949 17.213 5.878 1.00 0.00 H new ATOM 0 HD1 PHE B 24 8.455 16.218 6.619 1.00 0.00 H new ATOM 0 HD2 PHE B 24 5.372 19.090 7.247 1.00 0.00 H new ATOM 0 HE1 PHE B 24 10.075 17.718 7.696 1.00 0.00 H new ATOM 0 HE2 PHE B 24 6.988 20.592 8.326 1.00 0.00 H new ATOM 0 HZ PHE B 24 9.343 19.908 8.553 1.00 0.00 H new ATOM 1573 N TYR B 25 3.433 16.297 8.387 1.00 0.00 N ATOM 1574 CA TYR B 25 2.803 16.971 9.516 1.00 0.00 C ATOM 1575 C TYR B 25 2.373 16.001 10.616 1.00 0.00 C ATOM 1576 O TYR B 25 2.638 16.254 11.794 1.00 0.00 O ATOM 1577 CB TYR B 25 1.619 17.816 9.047 1.00 0.00 C ATOM 1578 CG TYR B 25 2.036 19.064 8.298 1.00 0.00 C ATOM 1579 CD1 TYR B 25 2.400 19.010 6.957 1.00 0.00 C ATOM 1580 CD2 TYR B 25 2.071 20.297 8.936 1.00 0.00 C ATOM 1581 CE1 TYR B 25 2.785 20.150 6.275 1.00 0.00 C ATOM 1582 CE2 TYR B 25 2.454 21.440 8.262 1.00 0.00 C ATOM 1583 CZ TYR B 25 2.810 21.361 6.933 1.00 0.00 C ATOM 1584 OH TYR B 25 3.192 22.503 6.260 1.00 0.00 O ATOM 0 H TYR B 25 2.799 16.062 7.623 1.00 0.00 H new ATOM 0 HA TYR B 25 3.556 17.628 9.952 1.00 0.00 H new ATOM 0 HB2 TYR B 25 0.981 17.210 8.404 1.00 0.00 H new ATOM 0 HB3 TYR B 25 1.020 18.102 9.912 1.00 0.00 H new ATOM 0 HD1 TYR B 25 2.382 18.062 6.440 1.00 0.00 H new ATOM 0 HD2 TYR B 25 1.794 20.363 9.978 1.00 0.00 H new ATOM 0 HE1 TYR B 25 3.064 20.092 5.233 1.00 0.00 H new ATOM 0 HE2 TYR B 25 2.474 22.391 8.774 1.00 0.00 H new ATOM 0 HH TYR B 25 3.153 23.270 6.869 1.00 0.00 H new ATOM 1594 N GLY B 26 1.734 14.891 10.254 1.00 0.00 N ATOM 1595 CA GLY B 26 1.255 13.974 11.268 1.00 0.00 C ATOM 1596 C GLY B 26 -0.105 13.381 10.945 1.00 0.00 C ATOM 1597 O GLY B 26 -0.896 13.103 11.849 1.00 0.00 O ATOM 0 H GLY B 26 1.543 14.615 9.291 1.00 0.00 H new ATOM 0 HA2 GLY B 26 1.977 13.166 11.388 1.00 0.00 H new ATOM 0 HA3 GLY B 26 1.199 14.496 12.223 1.00 0.00 H new ATOM 1601 N ASP B 27 -0.385 13.202 9.663 1.00 0.00 N ATOM 1602 CA ASP B 27 -1.595 12.520 9.231 1.00 0.00 C ATOM 1603 C ASP B 27 -1.240 11.224 8.526 1.00 0.00 C ATOM 1604 O ASP B 27 -0.447 11.221 7.581 1.00 0.00 O ATOM 1605 CB ASP B 27 -2.434 13.402 8.303 1.00 0.00 C ATOM 1606 CG ASP B 27 -3.294 14.384 9.065 1.00 0.00 C ATOM 1607 OD1 ASP B 27 -4.364 13.976 9.565 1.00 0.00 O ATOM 1608 OD2 ASP B 27 -2.911 15.567 9.172 1.00 0.00 O ATOM 0 H ASP B 27 0.213 13.521 8.901 1.00 0.00 H new ATOM 0 HA ASP B 27 -2.189 12.301 10.118 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -1.773 13.948 7.629 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -3.070 12.771 7.683 1.00 0.00 H new ATOM 1613 N GLU B 28 -1.811 10.124 9.001 1.00 0.00 N ATOM 1614 CA GLU B 28 -1.532 8.815 8.433 1.00 0.00 C ATOM 1615 C GLU B 28 -1.954 8.742 6.976 1.00 0.00 C ATOM 1616 O GLU B 28 -3.092 9.069 6.616 1.00 0.00 O ATOM 1617 CB GLU B 28 -2.219 7.699 9.222 1.00 0.00 C ATOM 1618 CG GLU B 28 -1.550 7.383 10.549 1.00 0.00 C ATOM 1619 CD GLU B 28 -1.814 8.425 11.615 1.00 0.00 C ATOM 1620 OE1 GLU B 28 -2.945 8.465 12.145 1.00 0.00 O ATOM 1621 OE2 GLU B 28 -0.895 9.205 11.932 1.00 0.00 O ATOM 0 H GLU B 28 -2.471 10.115 9.779 1.00 0.00 H new ATOM 0 HA GLU B 28 -0.453 8.671 8.495 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -3.255 7.983 9.407 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -2.240 6.796 8.612 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -1.901 6.414 10.903 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -0.475 7.296 10.394 1.00 0.00 H new ATOM 1628 N VAL B 29 -1.023 8.313 6.149 1.00 0.00 N ATOM 1629 CA VAL B 29 -1.260 8.150 4.733 1.00 0.00 C ATOM 1630 C VAL B 29 -1.163 6.672 4.381 1.00 0.00 C ATOM 1631 O VAL B 29 -0.134 6.038 4.600 1.00 0.00 O ATOM 1632 CB VAL B 29 -0.234 8.946 3.899 1.00 0.00 C ATOM 1633 CG1 VAL B 29 -0.617 8.954 2.433 1.00 0.00 C ATOM 1634 CG2 VAL B 29 -0.090 10.366 4.421 1.00 0.00 C ATOM 0 H VAL B 29 -0.078 8.067 6.443 1.00 0.00 H new ATOM 0 HA VAL B 29 -2.254 8.531 4.501 1.00 0.00 H new ATOM 0 HB VAL B 29 0.731 8.449 3.997 1.00 0.00 H new ATOM 0 HG11 VAL B 29 0.122 9.521 1.867 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -0.652 7.930 2.060 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -1.597 9.416 2.316 1.00 0.00 H new ATOM 0 HG21 VAL B 29 0.639 10.904 3.815 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -1.053 10.873 4.366 1.00 0.00 H new ATOM 0 HG23 VAL B 29 0.248 10.340 5.457 1.00 0.00 H new ATOM 1644 N THR B 30 -2.241 6.118 3.869 1.00 0.00 N ATOM 1645 CA THR B 30 -2.284 4.698 3.571 1.00 0.00 C ATOM 1646 C THR B 30 -2.306 4.462 2.060 1.00 0.00 C ATOM 1647 O THR B 30 -2.548 5.391 1.295 1.00 0.00 O ATOM 1648 CB THR B 30 -3.504 4.039 4.251 1.00 0.00 C ATOM 1649 OG1 THR B 30 -4.708 4.747 3.918 1.00 0.00 O ATOM 1650 CG2 THR B 30 -3.322 4.017 5.764 1.00 0.00 C ATOM 0 H THR B 30 -3.098 6.625 3.650 1.00 0.00 H new ATOM 0 HA THR B 30 -1.381 4.235 3.970 1.00 0.00 H new ATOM 0 HB THR B 30 -3.584 3.014 3.888 1.00 0.00 H new ATOM 0 HG1 THR B 30 -4.591 5.701 4.111 1.00 0.00 H new ATOM 0 HG21 THR B 30 -4.190 3.549 6.228 1.00 0.00 H new ATOM 0 HG22 THR B 30 -2.426 3.448 6.015 1.00 0.00 H new ATOM 0 HG23 THR B 30 -3.219 5.037 6.133 1.00 0.00 H new ATOM 1658 N PRO B 31 -2.028 3.221 1.612 1.00 0.00 N ATOM 1659 CA PRO B 31 -1.971 2.868 0.179 1.00 0.00 C ATOM 1660 C PRO B 31 -3.231 3.241 -0.611 1.00 0.00 C ATOM 1661 O PRO B 31 -3.196 3.313 -1.842 1.00 0.00 O ATOM 1662 CB PRO B 31 -1.799 1.348 0.192 1.00 0.00 C ATOM 1663 CG PRO B 31 -1.170 1.045 1.507 1.00 0.00 C ATOM 1664 CD PRO B 31 -1.707 2.064 2.473 1.00 0.00 C ATOM 0 HA PRO B 31 -1.170 3.416 -0.317 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -2.758 0.841 0.087 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -1.170 1.014 -0.633 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -1.415 0.034 1.832 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -0.084 1.105 1.442 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -2.590 1.695 2.995 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -0.971 2.322 3.234 1.00 0.00 H new ATOM 1672 N VAL B 32 -4.339 3.464 0.085 1.00 0.00 N ATOM 1673 CA VAL B 32 -5.587 3.840 -0.572 1.00 0.00 C ATOM 1674 C VAL B 32 -5.729 5.358 -0.659 1.00 0.00 C ATOM 1675 O VAL B 32 -6.711 5.874 -1.202 1.00 0.00 O ATOM 1676 CB VAL B 32 -6.815 3.250 0.153 1.00 0.00 C ATOM 1677 CG1 VAL B 32 -6.792 1.731 0.096 1.00 0.00 C ATOM 1678 CG2 VAL B 32 -6.874 3.728 1.595 1.00 0.00 C ATOM 0 H VAL B 32 -4.400 3.392 1.101 1.00 0.00 H new ATOM 0 HA VAL B 32 -5.548 3.426 -1.580 1.00 0.00 H new ATOM 0 HB VAL B 32 -7.711 3.601 -0.359 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -7.666 1.334 0.613 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -6.807 1.406 -0.944 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -5.887 1.362 0.579 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -7.748 3.299 2.085 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -5.972 3.413 2.120 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -6.944 4.816 1.615 1.00 0.00 H new ATOM 1688 N ASP B 33 -4.744 6.068 -0.127 1.00 0.00 N ATOM 1689 CA ASP B 33 -4.736 7.524 -0.160 1.00 0.00 C ATOM 1690 C ASP B 33 -3.781 8.002 -1.240 1.00 0.00 C ATOM 1691 O ASP B 33 -2.767 7.360 -1.508 1.00 0.00 O ATOM 1692 CB ASP B 33 -4.308 8.112 1.194 1.00 0.00 C ATOM 1693 CG ASP B 33 -5.205 7.700 2.346 1.00 0.00 C ATOM 1694 OD1 ASP B 33 -6.444 7.731 2.191 1.00 0.00 O ATOM 1695 OD2 ASP B 33 -4.673 7.341 3.422 1.00 0.00 O ATOM 0 H ASP B 33 -3.934 5.655 0.336 1.00 0.00 H new ATOM 0 HA ASP B 33 -5.749 7.864 -0.376 1.00 0.00 H new ATOM 0 HB2 ASP B 33 -3.287 7.799 1.410 1.00 0.00 H new ATOM 0 HB3 ASP B 33 -4.300 9.200 1.122 1.00 0.00 H new ATOM 1700 N ASP B 34 -4.104 9.125 -1.858 1.00 0.00 N ATOM 1701 CA ASP B 34 -3.249 9.701 -2.886 1.00 0.00 C ATOM 1702 C ASP B 34 -2.346 10.762 -2.275 1.00 0.00 C ATOM 1703 O ASP B 34 -2.810 11.662 -1.567 1.00 0.00 O ATOM 1704 CB ASP B 34 -4.085 10.298 -4.021 1.00 0.00 C ATOM 1705 CG ASP B 34 -4.886 9.245 -4.766 1.00 0.00 C ATOM 1706 OD1 ASP B 34 -4.345 8.648 -5.726 1.00 0.00 O ATOM 1707 OD2 ASP B 34 -6.060 9.014 -4.397 1.00 0.00 O ATOM 0 H ASP B 34 -4.953 9.658 -1.667 1.00 0.00 H new ATOM 0 HA ASP B 34 -2.630 8.908 -3.306 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -4.765 11.046 -3.613 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -3.427 10.813 -4.721 1.00 0.00 H new ATOM 1712 N TYR B 35 -1.052 10.648 -2.535 1.00 0.00 N ATOM 1713 CA TYR B 35 -0.074 11.551 -1.950 1.00 0.00 C ATOM 1714 C TYR B 35 1.104 11.759 -2.895 1.00 0.00 C ATOM 1715 O TYR B 35 1.115 11.245 -4.012 1.00 0.00 O ATOM 1716 CB TYR B 35 0.414 10.997 -0.607 1.00 0.00 C ATOM 1717 CG TYR B 35 1.053 9.627 -0.700 1.00 0.00 C ATOM 1718 CD1 TYR B 35 0.273 8.482 -0.801 1.00 0.00 C ATOM 1719 CD2 TYR B 35 2.434 9.480 -0.682 1.00 0.00 C ATOM 1720 CE1 TYR B 35 0.847 7.229 -0.883 1.00 0.00 C ATOM 1721 CE2 TYR B 35 3.018 8.231 -0.764 1.00 0.00 C ATOM 1722 CZ TYR B 35 2.219 7.109 -0.864 1.00 0.00 C ATOM 1723 OH TYR B 35 2.790 5.860 -0.946 1.00 0.00 O ATOM 0 H TYR B 35 -0.655 9.937 -3.149 1.00 0.00 H new ATOM 0 HA TYR B 35 -0.552 12.517 -1.783 1.00 0.00 H new ATOM 0 HB2 TYR B 35 1.134 11.694 -0.179 1.00 0.00 H new ATOM 0 HB3 TYR B 35 -0.430 10.947 0.082 1.00 0.00 H new ATOM 0 HD1 TYR B 35 -0.803 8.574 -0.816 1.00 0.00 H new ATOM 0 HD2 TYR B 35 3.061 10.356 -0.603 1.00 0.00 H new ATOM 0 HE1 TYR B 35 0.225 6.350 -0.961 1.00 0.00 H new ATOM 0 HE2 TYR B 35 4.093 8.132 -0.750 1.00 0.00 H new ATOM 0 HH TYR B 35 2.207 5.267 -1.465 1.00 0.00 H new ATOM 1733 N VAL B 36 2.076 12.533 -2.446 1.00 0.00 N ATOM 1734 CA VAL B 36 3.289 12.782 -3.214 1.00 0.00 C ATOM 1735 C VAL B 36 4.493 12.781 -2.275 1.00 0.00 C ATOM 1736 O VAL B 36 4.407 13.283 -1.152 1.00 0.00 O ATOM 1737 CB VAL B 36 3.218 14.136 -3.967 1.00 0.00 C ATOM 1738 CG1 VAL B 36 4.518 14.436 -4.695 1.00 0.00 C ATOM 1739 CG2 VAL B 36 2.059 14.160 -4.954 1.00 0.00 C ATOM 0 H VAL B 36 2.050 13.006 -1.543 1.00 0.00 H new ATOM 0 HA VAL B 36 3.390 11.990 -3.956 1.00 0.00 H new ATOM 0 HB VAL B 36 3.054 14.909 -3.216 1.00 0.00 H new ATOM 0 HG11 VAL B 36 4.433 15.392 -5.212 1.00 0.00 H new ATOM 0 HG12 VAL B 36 5.335 14.484 -3.975 1.00 0.00 H new ATOM 0 HG13 VAL B 36 4.719 13.648 -5.421 1.00 0.00 H new ATOM 0 HG21 VAL B 36 2.037 15.122 -5.466 1.00 0.00 H new ATOM 0 HG22 VAL B 36 2.188 13.363 -5.686 1.00 0.00 H new ATOM 0 HG23 VAL B 36 1.121 14.012 -4.418 1.00 0.00 H new ATOM 1749 N ILE B 37 5.596 12.192 -2.715 1.00 0.00 N ATOM 1750 CA ILE B 37 6.819 12.186 -1.928 1.00 0.00 C ATOM 1751 C ILE B 37 7.818 13.170 -2.510 1.00 0.00 C ATOM 1752 O ILE B 37 8.251 13.040 -3.663 1.00 0.00 O ATOM 1753 CB ILE B 37 7.437 10.774 -1.830 1.00 0.00 C ATOM 1754 CG1 ILE B 37 6.485 9.841 -1.073 1.00 0.00 C ATOM 1755 CG2 ILE B 37 8.788 10.826 -1.132 1.00 0.00 C ATOM 1756 CD1 ILE B 37 7.035 8.447 -0.839 1.00 0.00 C ATOM 0 H ILE B 37 5.668 11.713 -3.612 1.00 0.00 H new ATOM 0 HA ILE B 37 6.563 12.494 -0.914 1.00 0.00 H new ATOM 0 HB ILE B 37 7.588 10.389 -2.838 1.00 0.00 H new ATOM 0 HG12 ILE B 37 6.244 10.290 -0.110 1.00 0.00 H new ATOM 0 HG13 ILE B 37 5.552 9.762 -1.631 1.00 0.00 H new ATOM 0 HG21 ILE B 37 9.206 9.821 -1.073 1.00 0.00 H new ATOM 0 HG22 ILE B 37 9.464 11.468 -1.696 1.00 0.00 H new ATOM 0 HG23 ILE B 37 8.663 11.226 -0.126 1.00 0.00 H new ATOM 0 HD11 ILE B 37 6.300 7.852 -0.298 1.00 0.00 H new ATOM 0 HD12 ILE B 37 7.249 7.975 -1.798 1.00 0.00 H new ATOM 0 HD13 ILE B 37 7.952 8.511 -0.253 1.00 0.00 H new ATOM 1768 N ASP B 38 8.163 14.167 -1.708 1.00 0.00 N ATOM 1769 CA ASP B 38 9.057 15.222 -2.151 1.00 0.00 C ATOM 1770 C ASP B 38 10.417 15.068 -1.507 1.00 0.00 C ATOM 1771 O ASP B 38 10.650 15.490 -0.377 1.00 0.00 O ATOM 1772 CB ASP B 38 8.480 16.605 -1.853 1.00 0.00 C ATOM 1773 CG ASP B 38 9.401 17.729 -2.301 1.00 0.00 C ATOM 1774 OD1 ASP B 38 9.600 17.885 -3.523 1.00 0.00 O ATOM 1775 OD2 ASP B 38 9.925 18.458 -1.427 1.00 0.00 O ATOM 0 H ASP B 38 7.836 14.266 -0.747 1.00 0.00 H new ATOM 0 HA ASP B 38 9.167 15.132 -3.232 1.00 0.00 H new ATOM 0 HB2 ASP B 38 7.516 16.708 -2.352 1.00 0.00 H new ATOM 0 HB3 ASP B 38 8.296 16.695 -0.782 1.00 0.00 H new ATOM 1780 N GLY B 39 11.279 14.362 -2.208 1.00 0.00 N ATOM 1781 CA GLY B 39 12.674 14.287 -1.817 1.00 0.00 C ATOM 1782 C GLY B 39 12.931 13.218 -0.780 1.00 0.00 C ATOM 1783 O GLY B 39 14.060 13.031 -0.340 1.00 0.00 O ATOM 0 H GLY B 39 11.042 13.834 -3.048 1.00 0.00 H new ATOM 0 HA2 GLY B 39 13.284 14.087 -2.698 1.00 0.00 H new ATOM 0 HA3 GLY B 39 12.989 15.253 -1.423 1.00 0.00 H new ATOM 1787 N GLY B 40 11.882 12.512 -0.393 1.00 0.00 N ATOM 1788 CA GLY B 40 12.022 11.457 0.586 1.00 0.00 C ATOM 1789 C GLY B 40 10.972 11.553 1.664 1.00 0.00 C ATOM 1790 O GLY B 40 10.685 10.578 2.358 1.00 0.00 O ATOM 0 H GLY B 40 10.933 12.651 -0.740 1.00 0.00 H new ATOM 0 HA2 GLY B 40 11.948 10.489 0.091 1.00 0.00 H new ATOM 0 HA3 GLY B 40 13.013 11.509 1.037 1.00 0.00 H new ATOM 1794 N GLU B 41 10.394 12.736 1.804 1.00 0.00 N ATOM 1795 CA GLU B 41 9.357 12.953 2.790 1.00 0.00 C ATOM 1796 C GLU B 41 7.983 12.899 2.129 1.00 0.00 C ATOM 1797 O GLU B 41 7.835 13.210 0.946 1.00 0.00 O ATOM 1798 CB GLU B 41 9.582 14.280 3.516 1.00 0.00 C ATOM 1799 CG GLU B 41 10.972 14.381 4.130 1.00 0.00 C ATOM 1800 CD GLU B 41 11.100 15.503 5.136 1.00 0.00 C ATOM 1801 OE1 GLU B 41 11.414 16.641 4.734 1.00 0.00 O ATOM 1802 OE2 GLU B 41 10.914 15.238 6.343 1.00 0.00 O ATOM 0 H GLU B 41 10.628 13.557 1.246 1.00 0.00 H new ATOM 0 HA GLU B 41 9.400 12.158 3.535 1.00 0.00 H new ATOM 0 HB2 GLU B 41 9.437 15.103 2.816 1.00 0.00 H new ATOM 0 HB3 GLU B 41 8.833 14.393 4.300 1.00 0.00 H new ATOM 0 HG2 GLU B 41 11.217 13.437 4.616 1.00 0.00 H new ATOM 0 HG3 GLU B 41 11.703 14.529 3.335 1.00 0.00 H new ATOM 1809 N ILE B 42 6.995 12.492 2.902 1.00 0.00 N ATOM 1810 CA ILE B 42 5.662 12.212 2.389 1.00 0.00 C ATOM 1811 C ILE B 42 4.724 13.373 2.675 1.00 0.00 C ATOM 1812 O ILE B 42 4.781 13.971 3.744 1.00 0.00 O ATOM 1813 CB ILE B 42 5.091 10.935 3.045 1.00 0.00 C ATOM 1814 CG1 ILE B 42 6.084 9.783 2.882 1.00 0.00 C ATOM 1815 CG2 ILE B 42 3.739 10.569 2.440 1.00 0.00 C ATOM 1816 CD1 ILE B 42 5.756 8.557 3.706 1.00 0.00 C ATOM 0 H ILE B 42 7.091 12.345 3.907 1.00 0.00 H new ATOM 0 HA ILE B 42 5.741 12.067 1.312 1.00 0.00 H new ATOM 0 HB ILE B 42 4.939 11.126 4.107 1.00 0.00 H new ATOM 0 HG12 ILE B 42 6.124 9.499 1.830 1.00 0.00 H new ATOM 0 HG13 ILE B 42 7.079 10.135 3.156 1.00 0.00 H new ATOM 0 HG21 ILE B 42 3.358 9.667 2.919 1.00 0.00 H new ATOM 0 HG22 ILE B 42 3.036 11.387 2.598 1.00 0.00 H new ATOM 0 HG23 ILE B 42 3.855 10.391 1.371 1.00 0.00 H new ATOM 0 HD11 ILE B 42 6.510 7.789 3.531 1.00 0.00 H new ATOM 0 HD12 ILE B 42 5.746 8.821 4.763 1.00 0.00 H new ATOM 0 HD13 ILE B 42 4.776 8.176 3.418 1.00 0.00 H new ATOM 1828 N ILE B 43 3.887 13.710 1.706 1.00 0.00 N ATOM 1829 CA ILE B 43 2.870 14.733 1.899 1.00 0.00 C ATOM 1830 C ILE B 43 1.573 14.301 1.220 1.00 0.00 C ATOM 1831 O ILE B 43 1.579 13.940 0.040 1.00 0.00 O ATOM 1832 CB ILE B 43 3.285 16.118 1.327 1.00 0.00 C ATOM 1833 CG1 ILE B 43 4.719 16.502 1.716 1.00 0.00 C ATOM 1834 CG2 ILE B 43 2.326 17.193 1.809 1.00 0.00 C ATOM 1835 CD1 ILE B 43 5.778 15.953 0.781 1.00 0.00 C ATOM 0 H ILE B 43 3.892 13.290 0.777 1.00 0.00 H new ATOM 0 HA ILE B 43 2.738 14.841 2.976 1.00 0.00 H new ATOM 0 HB ILE B 43 3.243 16.040 0.241 1.00 0.00 H new ATOM 0 HG12 ILE B 43 4.799 17.589 1.742 1.00 0.00 H new ATOM 0 HG13 ILE B 43 4.919 16.144 2.726 1.00 0.00 H new ATOM 0 HG21 ILE B 43 2.627 18.158 1.402 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.316 16.957 1.474 1.00 0.00 H new ATOM 0 HG23 ILE B 43 2.346 17.236 2.898 1.00 0.00 H new ATOM 0 HD11 ILE B 43 6.764 16.268 1.123 1.00 0.00 H new ATOM 0 HD12 ILE B 43 5.727 14.864 0.773 1.00 0.00 H new ATOM 0 HD13 ILE B 43 5.605 16.332 -0.226 1.00 0.00 H new ATOM 1847 N LEU B 44 0.471 14.303 1.969 1.00 0.00 N ATOM 1848 CA LEU B 44 -0.850 14.061 1.384 1.00 0.00 C ATOM 1849 C LEU B 44 -1.123 15.045 0.260 1.00 0.00 C ATOM 1850 O LEU B 44 -0.708 16.195 0.330 1.00 0.00 O ATOM 1851 CB LEU B 44 -1.955 14.204 2.435 1.00 0.00 C ATOM 1852 CG LEU B 44 -2.200 12.976 3.300 1.00 0.00 C ATOM 1853 CD1 LEU B 44 -3.118 13.315 4.465 1.00 0.00 C ATOM 1854 CD2 LEU B 44 -2.792 11.853 2.461 1.00 0.00 C ATOM 0 H LEU B 44 0.464 14.468 2.976 1.00 0.00 H new ATOM 0 HA LEU B 44 -0.851 13.042 0.996 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -1.706 15.042 3.086 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -2.885 14.460 1.927 1.00 0.00 H new ATOM 0 HG LEU B 44 -1.246 12.641 3.706 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -3.281 12.424 5.071 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -2.658 14.091 5.077 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -4.074 13.673 4.083 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -2.963 10.980 3.091 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.738 12.181 2.030 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -2.100 11.593 1.660 1.00 0.00 H new ATOM 1866 N ARG B 45 -1.852 14.604 -0.757 1.00 0.00 N ATOM 1867 CA ARG B 45 -2.213 15.476 -1.875 1.00 0.00 C ATOM 1868 C ARG B 45 -3.076 16.646 -1.411 1.00 0.00 C ATOM 1869 O ARG B 45 -3.290 17.601 -2.156 1.00 0.00 O ATOM 1870 CB ARG B 45 -2.942 14.677 -2.955 1.00 0.00 C ATOM 1871 CG ARG B 45 -2.009 13.938 -3.902 1.00 0.00 C ATOM 1872 CD ARG B 45 -1.487 14.855 -5.000 1.00 0.00 C ATOM 1873 NE ARG B 45 -2.558 15.331 -5.875 1.00 0.00 N ATOM 1874 CZ ARG B 45 -2.908 14.733 -7.014 1.00 0.00 C ATOM 1875 NH1 ARG B 45 -2.303 13.613 -7.391 1.00 0.00 N ATOM 1876 NH2 ARG B 45 -3.861 15.255 -7.776 1.00 0.00 N ATOM 0 H ARG B 45 -2.206 13.650 -0.834 1.00 0.00 H new ATOM 0 HA ARG B 45 -1.293 15.883 -2.293 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -3.605 13.956 -2.476 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -3.571 15.354 -3.533 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -1.170 13.527 -3.341 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -2.536 13.096 -4.350 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -0.982 15.709 -4.549 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -0.744 14.322 -5.594 1.00 0.00 H new ATOM 0 HE ARG B 45 -3.067 16.170 -5.597 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -1.569 13.209 -6.809 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -2.572 13.157 -8.263 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -4.328 16.116 -7.491 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -4.127 14.795 -8.647 1.00 0.00 H new ATOM 1890 N GLU B 46 -3.549 16.578 -0.172 1.00 0.00 N ATOM 1891 CA GLU B 46 -4.383 17.635 0.381 1.00 0.00 C ATOM 1892 C GLU B 46 -3.541 18.862 0.728 1.00 0.00 C ATOM 1893 O GLU B 46 -3.846 19.977 0.305 1.00 0.00 O ATOM 1894 CB GLU B 46 -5.131 17.123 1.616 1.00 0.00 C ATOM 1895 CG GLU B 46 -6.015 18.168 2.285 1.00 0.00 C ATOM 1896 CD GLU B 46 -7.097 18.718 1.371 1.00 0.00 C ATOM 1897 OE1 GLU B 46 -7.143 18.340 0.181 1.00 0.00 O ATOM 1898 OE2 GLU B 46 -7.902 19.547 1.840 1.00 0.00 O ATOM 0 H GLU B 46 -3.369 15.803 0.466 1.00 0.00 H new ATOM 0 HA GLU B 46 -5.115 17.931 -0.371 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -5.748 16.272 1.327 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -4.405 16.758 2.342 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -6.483 17.727 3.165 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -5.391 18.991 2.634 1.00 0.00 H new ATOM 1905 N ASN B 47 -2.471 18.647 1.476 1.00 0.00 N ATOM 1906 CA ASN B 47 -1.599 19.735 1.905 1.00 0.00 C ATOM 1907 C ASN B 47 -0.345 19.809 1.036 1.00 0.00 C ATOM 1908 O ASN B 47 0.541 20.635 1.265 1.00 0.00 O ATOM 1909 CB ASN B 47 -1.223 19.579 3.389 1.00 0.00 C ATOM 1910 CG ASN B 47 -0.619 18.221 3.732 1.00 0.00 C ATOM 1911 OD1 ASN B 47 -0.922 17.207 3.103 1.00 0.00 O ATOM 1912 ND2 ASN B 47 0.225 18.194 4.750 1.00 0.00 N ATOM 0 H ASN B 47 -2.182 17.725 1.802 1.00 0.00 H new ATOM 0 HA ASN B 47 -2.146 20.670 1.786 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -0.512 20.361 3.658 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -2.114 19.734 3.998 1.00 0.00 H new ATOM 0 HD21 ASN B 47 0.649 17.312 5.038 1.00 0.00 H new ATOM 0 HD22 ASN B 47 0.452 19.055 5.247 1.00 0.00 H new ATOM 1919 N LEU B 48 -0.295 18.950 0.024 1.00 0.00 N ATOM 1920 CA LEU B 48 0.821 18.907 -0.920 1.00 0.00 C ATOM 1921 C LEU B 48 0.875 20.197 -1.738 1.00 0.00 C ATOM 1922 O LEU B 48 1.952 20.678 -2.087 1.00 0.00 O ATOM 1923 CB LEU B 48 0.665 17.671 -1.826 1.00 0.00 C ATOM 1924 CG LEU B 48 1.843 17.318 -2.749 1.00 0.00 C ATOM 1925 CD1 LEU B 48 1.772 18.100 -4.050 1.00 0.00 C ATOM 1926 CD2 LEU B 48 3.174 17.564 -2.050 1.00 0.00 C ATOM 0 H LEU B 48 -1.025 18.264 -0.167 1.00 0.00 H new ATOM 0 HA LEU B 48 1.763 18.826 -0.377 1.00 0.00 H new ATOM 0 HB2 LEU B 48 0.466 16.809 -1.189 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -0.218 17.818 -2.448 1.00 0.00 H new ATOM 0 HG LEU B 48 1.772 16.257 -2.987 1.00 0.00 H new ATOM 0 HD11 LEU B 48 2.617 17.830 -4.683 1.00 0.00 H new ATOM 0 HD12 LEU B 48 0.842 17.863 -4.566 1.00 0.00 H new ATOM 0 HD13 LEU B 48 1.806 19.168 -3.835 1.00 0.00 H new ATOM 0 HD21 LEU B 48 3.992 17.307 -2.723 1.00 0.00 H new ATOM 0 HD22 LEU B 48 3.250 18.615 -1.772 1.00 0.00 H new ATOM 0 HD23 LEU B 48 3.234 16.946 -1.154 1.00 0.00 H new ATOM 1938 N GLU B 49 -0.294 20.765 -2.010 1.00 0.00 N ATOM 1939 CA GLU B 49 -0.395 21.993 -2.789 1.00 0.00 C ATOM 1940 C GLU B 49 0.335 23.137 -2.083 1.00 0.00 C ATOM 1941 O GLU B 49 1.165 23.822 -2.683 1.00 0.00 O ATOM 1942 CB GLU B 49 -1.879 22.322 -3.022 1.00 0.00 C ATOM 1943 CG GLU B 49 -2.141 23.572 -3.850 1.00 0.00 C ATOM 1944 CD GLU B 49 -2.166 24.837 -3.017 1.00 0.00 C ATOM 1945 OE1 GLU B 49 -2.947 24.896 -2.040 1.00 0.00 O ATOM 1946 OE2 GLU B 49 -1.426 25.787 -3.344 1.00 0.00 O ATOM 0 H GLU B 49 -1.191 20.391 -1.700 1.00 0.00 H new ATOM 0 HA GLU B 49 0.085 21.856 -3.758 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -2.350 21.472 -3.516 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -2.366 22.438 -2.054 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -1.370 23.662 -4.616 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -3.094 23.465 -4.368 1.00 0.00 H new ATOM 1953 N ARG B 50 0.046 23.315 -0.800 1.00 0.00 N ATOM 1954 CA ARG B 50 0.678 24.361 -0.005 1.00 0.00 C ATOM 1955 C ARG B 50 2.166 24.061 0.173 1.00 0.00 C ATOM 1956 O ARG B 50 3.003 24.970 0.226 1.00 0.00 O ATOM 1957 CB ARG B 50 -0.018 24.465 1.355 1.00 0.00 C ATOM 1958 CG ARG B 50 0.297 25.735 2.130 1.00 0.00 C ATOM 1959 CD ARG B 50 -0.054 26.977 1.326 1.00 0.00 C ATOM 1960 NE ARG B 50 -0.669 28.011 2.157 1.00 0.00 N ATOM 1961 CZ ARG B 50 0.002 28.990 2.768 1.00 0.00 C ATOM 1962 NH1 ARG B 50 1.319 29.088 2.638 1.00 0.00 N ATOM 1963 NH2 ARG B 50 -0.652 29.879 3.505 1.00 0.00 N ATOM 0 H ARG B 50 -0.626 22.745 -0.285 1.00 0.00 H new ATOM 0 HA ARG B 50 0.581 25.315 -0.523 1.00 0.00 H new ATOM 0 HB2 ARG B 50 -1.096 24.405 1.203 1.00 0.00 H new ATOM 0 HB3 ARG B 50 0.266 23.605 1.961 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -0.258 25.738 3.068 1.00 0.00 H new ATOM 0 HG3 ARG B 50 1.356 25.753 2.387 1.00 0.00 H new ATOM 0 HD2 ARG B 50 0.848 27.375 0.861 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -0.736 26.706 0.520 1.00 0.00 H new ATOM 0 HE ARG B 50 -1.681 27.982 2.278 1.00 0.00 H new ATOM 0 HH11 ARG B 50 1.827 28.412 2.068 1.00 0.00 H new ATOM 0 HH12 ARG B 50 1.823 29.839 3.109 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -1.665 29.813 3.604 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -0.142 30.628 3.973 1.00 0.00 H new ATOM 1977 N TYR B 51 2.491 22.777 0.237 1.00 0.00 N ATOM 1978 CA TYR B 51 3.873 22.345 0.390 1.00 0.00 C ATOM 1979 C TYR B 51 4.691 22.689 -0.855 1.00 0.00 C ATOM 1980 O TYR B 51 5.815 23.178 -0.745 1.00 0.00 O ATOM 1981 CB TYR B 51 3.933 20.843 0.677 1.00 0.00 C ATOM 1982 CG TYR B 51 5.339 20.310 0.806 1.00 0.00 C ATOM 1983 CD1 TYR B 51 6.082 20.524 1.958 1.00 0.00 C ATOM 1984 CD2 TYR B 51 5.922 19.589 -0.226 1.00 0.00 C ATOM 1985 CE1 TYR B 51 7.369 20.037 2.079 1.00 0.00 C ATOM 1986 CE2 TYR B 51 7.204 19.100 -0.112 1.00 0.00 C ATOM 1987 CZ TYR B 51 7.925 19.323 1.037 1.00 0.00 C ATOM 1988 OH TYR B 51 9.203 18.828 1.148 1.00 0.00 O ATOM 0 H TYR B 51 1.815 22.015 0.185 1.00 0.00 H new ATOM 0 HA TYR B 51 4.307 22.877 1.237 1.00 0.00 H new ATOM 0 HB2 TYR B 51 3.388 20.635 1.598 1.00 0.00 H new ATOM 0 HB3 TYR B 51 3.422 20.308 -0.123 1.00 0.00 H new ATOM 0 HD1 TYR B 51 5.647 21.081 2.774 1.00 0.00 H new ATOM 0 HD2 TYR B 51 5.362 19.409 -1.132 1.00 0.00 H new ATOM 0 HE1 TYR B 51 7.935 20.214 2.981 1.00 0.00 H new ATOM 0 HE2 TYR B 51 7.643 18.541 -0.925 1.00 0.00 H new ATOM 0 HH TYR B 51 9.611 18.774 0.259 1.00 0.00 H new ATOM 1998 N LEU B 52 4.124 22.438 -2.036 1.00 0.00 N ATOM 1999 CA LEU B 52 4.780 22.803 -3.295 1.00 0.00 C ATOM 2000 C LEU B 52 4.864 24.313 -3.434 1.00 0.00 C ATOM 2001 O LEU B 52 5.713 24.839 -4.141 1.00 0.00 O ATOM 2002 CB LEU B 52 4.035 22.222 -4.499 1.00 0.00 C ATOM 2003 CG LEU B 52 4.070 20.699 -4.621 1.00 0.00 C ATOM 2004 CD1 LEU B 52 3.541 20.275 -5.982 1.00 0.00 C ATOM 2005 CD2 LEU B 52 5.480 20.172 -4.405 1.00 0.00 C ATOM 0 H LEU B 52 3.217 21.986 -2.148 1.00 0.00 H new ATOM 0 HA LEU B 52 5.786 22.384 -3.273 1.00 0.00 H new ATOM 0 HB2 LEU B 52 2.994 22.541 -4.449 1.00 0.00 H new ATOM 0 HB3 LEU B 52 4.457 22.652 -5.407 1.00 0.00 H new ATOM 0 HG LEU B 52 3.431 20.273 -3.848 1.00 0.00 H new ATOM 0 HD11 LEU B 52 3.569 19.188 -6.061 1.00 0.00 H new ATOM 0 HD12 LEU B 52 2.514 20.621 -6.097 1.00 0.00 H new ATOM 0 HD13 LEU B 52 4.160 20.712 -6.765 1.00 0.00 H new ATOM 0 HD21 LEU B 52 5.480 19.086 -4.497 1.00 0.00 H new ATOM 0 HD22 LEU B 52 6.147 20.600 -5.154 1.00 0.00 H new ATOM 0 HD23 LEU B 52 5.825 20.452 -3.410 1.00 0.00 H new ATOM 2017 N ARG B 53 3.980 25.009 -2.752 1.00 0.00 N ATOM 2018 CA ARG B 53 4.002 26.461 -2.758 1.00 0.00 C ATOM 2019 C ARG B 53 5.231 26.953 -1.998 1.00 0.00 C ATOM 2020 O ARG B 53 5.828 27.970 -2.350 1.00 0.00 O ATOM 2021 CB ARG B 53 2.717 27.021 -2.143 1.00 0.00 C ATOM 2022 CG ARG B 53 2.566 28.525 -2.304 1.00 0.00 C ATOM 2023 CD ARG B 53 1.274 29.027 -1.680 1.00 0.00 C ATOM 2024 NE ARG B 53 0.093 28.382 -2.260 1.00 0.00 N ATOM 2025 CZ ARG B 53 -1.011 29.033 -2.624 1.00 0.00 C ATOM 2026 NH1 ARG B 53 -1.098 30.349 -2.479 1.00 0.00 N ATOM 2027 NH2 ARG B 53 -2.031 28.366 -3.137 1.00 0.00 N ATOM 0 H ARG B 53 3.238 24.597 -2.187 1.00 0.00 H new ATOM 0 HA ARG B 53 4.058 26.816 -3.787 1.00 0.00 H new ATOM 0 HB2 ARG B 53 1.860 26.528 -2.602 1.00 0.00 H new ATOM 0 HB3 ARG B 53 2.696 26.774 -1.081 1.00 0.00 H new ATOM 0 HG2 ARG B 53 3.414 29.028 -1.840 1.00 0.00 H new ATOM 0 HG3 ARG B 53 2.583 28.782 -3.363 1.00 0.00 H new ATOM 0 HD2 ARG B 53 1.296 28.843 -0.606 1.00 0.00 H new ATOM 0 HD3 ARG B 53 1.201 30.106 -1.817 1.00 0.00 H new ATOM 0 HE ARG B 53 0.118 27.371 -2.393 1.00 0.00 H new ATOM 0 HH11 ARG B 53 -0.315 30.872 -2.086 1.00 0.00 H new ATOM 0 HH12 ARG B 53 -1.948 30.838 -2.761 1.00 0.00 H new ATOM 0 HH21 ARG B 53 -1.972 27.354 -3.254 1.00 0.00 H new ATOM 0 HH22 ARG B 53 -2.877 28.863 -3.416 1.00 0.00 H new ATOM 2041 N GLU B 54 5.614 26.209 -0.965 1.00 0.00 N ATOM 2042 CA GLU B 54 6.817 26.523 -0.198 1.00 0.00 C ATOM 2043 C GLU B 54 8.067 25.935 -0.850 1.00 0.00 C ATOM 2044 O GLU B 54 8.931 26.670 -1.328 1.00 0.00 O ATOM 2045 CB GLU B 54 6.696 26.009 1.239 1.00 0.00 C ATOM 2046 CG GLU B 54 5.679 26.765 2.070 1.00 0.00 C ATOM 2047 CD GLU B 54 5.944 28.256 2.082 1.00 0.00 C ATOM 2048 OE1 GLU B 54 6.874 28.692 2.786 1.00 0.00 O ATOM 2049 OE2 GLU B 54 5.226 28.995 1.376 1.00 0.00 O ATOM 0 H GLU B 54 5.110 25.385 -0.639 1.00 0.00 H new ATOM 0 HA GLU B 54 6.915 27.609 -0.183 1.00 0.00 H new ATOM 0 HB2 GLU B 54 6.423 24.954 1.217 1.00 0.00 H new ATOM 0 HB3 GLU B 54 7.670 26.076 1.723 1.00 0.00 H new ATOM 0 HG2 GLU B 54 4.680 26.579 1.676 1.00 0.00 H new ATOM 0 HG3 GLU B 54 5.694 26.387 3.092 1.00 0.00 H new ATOM 2056 N GLN B 55 8.153 24.607 -0.883 1.00 0.00 N ATOM 2057 CA GLN B 55 9.371 23.942 -1.330 1.00 0.00 C ATOM 2058 C GLN B 55 9.402 23.790 -2.849 1.00 0.00 C ATOM 2059 O GLN B 55 10.202 24.451 -3.512 1.00 0.00 O ATOM 2060 CB GLN B 55 9.481 22.566 -0.650 1.00 0.00 C ATOM 2061 CG GLN B 55 10.682 21.729 -1.081 1.00 0.00 C ATOM 2062 CD GLN B 55 12.012 22.438 -0.891 1.00 0.00 C ATOM 2063 OE1 GLN B 55 12.158 23.309 -0.032 1.00 0.00 O ATOM 2064 NE2 GLN B 55 13.000 22.042 -1.675 1.00 0.00 N ATOM 0 H GLN B 55 7.400 23.976 -0.608 1.00 0.00 H new ATOM 0 HA GLN B 55 10.224 24.559 -1.047 1.00 0.00 H new ATOM 0 HB2 GLN B 55 9.528 22.713 0.429 1.00 0.00 H new ATOM 0 HB3 GLN B 55 8.571 22.002 -0.855 1.00 0.00 H new ATOM 0 HG2 GLN B 55 10.690 20.799 -0.512 1.00 0.00 H new ATOM 0 HG3 GLN B 55 10.569 21.459 -2.131 1.00 0.00 H new ATOM 0 HE21 GLN B 55 12.837 21.317 -2.374 1.00 0.00 H new ATOM 0 HE22 GLN B 55 13.925 22.461 -1.581 1.00 0.00 H new ATOM 2073 N LEU B 56 8.502 22.963 -3.391 1.00 0.00 N ATOM 2074 CA LEU B 56 8.401 22.699 -4.841 1.00 0.00 C ATOM 2075 C LEU B 56 9.675 22.090 -5.465 1.00 0.00 C ATOM 2076 O LEU B 56 9.605 21.457 -6.515 1.00 0.00 O ATOM 2077 CB LEU B 56 8.056 23.987 -5.593 1.00 0.00 C ATOM 2078 CG LEU B 56 7.662 23.802 -7.059 1.00 0.00 C ATOM 2079 CD1 LEU B 56 6.277 23.189 -7.171 1.00 0.00 C ATOM 2080 CD2 LEU B 56 7.726 25.126 -7.804 1.00 0.00 C ATOM 0 H LEU B 56 7.815 22.451 -2.837 1.00 0.00 H new ATOM 0 HA LEU B 56 7.609 21.957 -4.943 1.00 0.00 H new ATOM 0 HB2 LEU B 56 7.236 24.483 -5.073 1.00 0.00 H new ATOM 0 HB3 LEU B 56 8.915 24.657 -5.546 1.00 0.00 H new ATOM 0 HG LEU B 56 8.375 23.117 -7.519 1.00 0.00 H new ATOM 0 HD11 LEU B 56 6.017 23.066 -8.222 1.00 0.00 H new ATOM 0 HD12 LEU B 56 6.269 22.216 -6.679 1.00 0.00 H new ATOM 0 HD13 LEU B 56 5.549 23.844 -6.692 1.00 0.00 H new ATOM 0 HD21 LEU B 56 7.442 24.972 -8.845 1.00 0.00 H new ATOM 0 HD22 LEU B 56 7.041 25.837 -7.342 1.00 0.00 H new ATOM 0 HD23 LEU B 56 8.741 25.520 -7.759 1.00 0.00 H new ATOM 2092 N GLY B 57 10.827 22.274 -4.835 1.00 0.00 N ATOM 2093 CA GLY B 57 12.078 21.965 -5.494 1.00 0.00 C ATOM 2094 C GLY B 57 12.776 20.720 -4.986 1.00 0.00 C ATOM 2095 O GLY B 57 14.006 20.699 -4.930 1.00 0.00 O ATOM 0 H GLY B 57 10.917 22.630 -3.883 1.00 0.00 H new ATOM 0 HA2 GLY B 57 11.891 21.849 -6.561 1.00 0.00 H new ATOM 0 HA3 GLY B 57 12.752 22.814 -5.379 1.00 0.00 H new ATOM 2099 N PHE B 58 12.002 19.694 -4.618 1.00 0.00 N ATOM 2100 CA PHE B 58 12.545 18.358 -4.300 1.00 0.00 C ATOM 2101 C PHE B 58 13.693 18.460 -3.300 1.00 0.00 C ATOM 2102 O PHE B 58 13.753 19.399 -2.499 1.00 0.00 O ATOM 2103 CB PHE B 58 13.033 17.650 -5.580 1.00 0.00 C ATOM 2104 CG PHE B 58 12.502 18.242 -6.858 1.00 0.00 C ATOM 2105 CD1 PHE B 58 11.139 18.380 -7.072 1.00 0.00 C ATOM 2106 CD2 PHE B 58 13.377 18.676 -7.840 1.00 0.00 C ATOM 2107 CE1 PHE B 58 10.664 18.938 -8.243 1.00 0.00 C ATOM 2108 CE2 PHE B 58 12.907 19.236 -9.012 1.00 0.00 C ATOM 2109 CZ PHE B 58 11.549 19.366 -9.213 1.00 0.00 C ATOM 0 H PHE B 58 10.988 19.759 -4.531 1.00 0.00 H new ATOM 0 HA PHE B 58 11.742 17.771 -3.853 1.00 0.00 H new ATOM 0 HB2 PHE B 58 14.122 17.680 -5.605 1.00 0.00 H new ATOM 0 HB3 PHE B 58 12.744 16.600 -5.533 1.00 0.00 H new ATOM 0 HD1 PHE B 58 10.442 18.048 -6.316 1.00 0.00 H new ATOM 0 HD2 PHE B 58 14.441 18.575 -7.687 1.00 0.00 H new ATOM 0 HE1 PHE B 58 9.600 19.040 -8.400 1.00 0.00 H new ATOM 0 HE2 PHE B 58 13.601 19.571 -9.769 1.00 0.00 H new ATOM 0 HZ PHE B 58 11.178 19.802 -10.129 1.00 0.00 H new ATOM 2119 N GLU B 59 14.600 17.491 -3.328 1.00 0.00 N ATOM 2120 CA GLU B 59 15.806 17.606 -2.532 1.00 0.00 C ATOM 2121 C GLU B 59 17.003 17.808 -3.458 1.00 0.00 C ATOM 2122 O GLU B 59 17.504 16.868 -4.077 1.00 0.00 O ATOM 2123 CB GLU B 59 15.975 16.362 -1.656 1.00 0.00 C ATOM 2124 CG GLU B 59 17.219 16.378 -0.781 1.00 0.00 C ATOM 2125 CD GLU B 59 17.222 17.518 0.219 1.00 0.00 C ATOM 2126 OE1 GLU B 59 16.620 17.372 1.301 1.00 0.00 O ATOM 2127 OE2 GLU B 59 17.854 18.559 -0.064 1.00 0.00 O ATOM 0 H GLU B 59 14.524 16.637 -3.881 1.00 0.00 H new ATOM 0 HA GLU B 59 15.735 18.469 -1.870 1.00 0.00 H new ATOM 0 HB2 GLU B 59 15.097 16.259 -1.018 1.00 0.00 H new ATOM 0 HB3 GLU B 59 16.007 15.482 -2.298 1.00 0.00 H new ATOM 0 HG2 GLU B 59 17.293 15.431 -0.246 1.00 0.00 H new ATOM 0 HG3 GLU B 59 18.102 16.455 -1.415 1.00 0.00 H new ATOM 2134 N PHE B 60 17.455 19.053 -3.539 1.00 0.00 N ATOM 2135 CA PHE B 60 18.554 19.414 -4.418 1.00 0.00 C ATOM 2136 C PHE B 60 19.876 19.324 -3.688 1.00 0.00 C ATOM 2137 O PHE B 60 20.107 20.029 -2.707 1.00 0.00 O ATOM 2138 CB PHE B 60 18.382 20.829 -4.979 1.00 0.00 C ATOM 2139 CG PHE B 60 17.531 20.902 -6.214 1.00 0.00 C ATOM 2140 CD1 PHE B 60 17.793 20.081 -7.297 1.00 0.00 C ATOM 2141 CD2 PHE B 60 16.488 21.807 -6.302 1.00 0.00 C ATOM 2142 CE1 PHE B 60 17.028 20.157 -8.444 1.00 0.00 C ATOM 2143 CE2 PHE B 60 15.716 21.887 -7.444 1.00 0.00 C ATOM 2144 CZ PHE B 60 15.987 21.061 -8.517 1.00 0.00 C ATOM 0 H PHE B 60 17.073 19.832 -3.002 1.00 0.00 H new ATOM 0 HA PHE B 60 18.548 18.706 -5.247 1.00 0.00 H new ATOM 0 HB2 PHE B 60 17.940 21.462 -4.209 1.00 0.00 H new ATOM 0 HB3 PHE B 60 19.366 21.241 -5.204 1.00 0.00 H new ATOM 0 HD1 PHE B 60 18.606 19.372 -7.244 1.00 0.00 H new ATOM 0 HD2 PHE B 60 16.275 22.459 -5.467 1.00 0.00 H new ATOM 0 HE1 PHE B 60 17.243 19.511 -9.282 1.00 0.00 H new ATOM 0 HE2 PHE B 60 14.902 22.594 -7.498 1.00 0.00 H new ATOM 0 HZ PHE B 60 15.386 21.122 -9.412 1.00 0.00 H new ATOM 2154 N LYS B 61 20.733 18.448 -4.162 1.00 0.00 N ATOM 2155 CA LYS B 61 22.066 18.315 -3.619 1.00 0.00 C ATOM 2156 C LYS B 61 23.088 18.623 -4.698 1.00 0.00 C ATOM 2157 O LYS B 61 22.728 19.058 -5.797 1.00 0.00 O ATOM 2158 CB LYS B 61 22.277 16.904 -3.069 1.00 0.00 C ATOM 2159 CG LYS B 61 21.569 16.642 -1.747 1.00 0.00 C ATOM 2160 CD LYS B 61 22.251 17.369 -0.598 1.00 0.00 C ATOM 2161 CE LYS B 61 21.679 16.953 0.749 1.00 0.00 C ATOM 2162 NZ LYS B 61 20.293 17.454 0.956 1.00 0.00 N ATOM 0 H LYS B 61 20.527 17.810 -4.931 1.00 0.00 H new ATOM 0 HA LYS B 61 22.191 19.023 -2.800 1.00 0.00 H new ATOM 0 HB2 LYS B 61 21.927 16.182 -3.806 1.00 0.00 H new ATOM 0 HB3 LYS B 61 23.345 16.732 -2.937 1.00 0.00 H new ATOM 0 HG2 LYS B 61 20.530 16.965 -1.819 1.00 0.00 H new ATOM 0 HG3 LYS B 61 21.556 15.571 -1.545 1.00 0.00 H new ATOM 0 HD2 LYS B 61 23.321 17.161 -0.619 1.00 0.00 H new ATOM 0 HD3 LYS B 61 22.133 18.445 -0.727 1.00 0.00 H new ATOM 0 HE2 LYS B 61 21.684 15.865 0.823 1.00 0.00 H new ATOM 0 HE3 LYS B 61 22.321 17.329 1.545 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 20.297 18.195 1.686 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 19.930 17.848 0.065 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 19.682 16.670 1.262 1.00 0.00 H new ATOM 2176 N ASN B 62 24.350 18.402 -4.377 1.00 0.00 N ATOM 2177 CA ASN B 62 25.436 18.619 -5.313 1.00 0.00 C ATOM 2178 C ASN B 62 26.708 18.015 -4.741 1.00 0.00 C ATOM 2179 O ASN B 62 26.670 17.398 -3.677 1.00 0.00 O ATOM 2180 CB ASN B 62 25.626 20.123 -5.608 1.00 0.00 C ATOM 2181 CG ASN B 62 26.173 20.919 -4.433 1.00 0.00 C ATOM 2182 OD1 ASN B 62 25.942 20.585 -3.272 1.00 0.00 O ATOM 2183 ND2 ASN B 62 26.910 21.983 -4.729 1.00 0.00 N ATOM 0 H ASN B 62 24.650 18.068 -3.461 1.00 0.00 H new ATOM 0 HA ASN B 62 25.196 18.133 -6.259 1.00 0.00 H new ATOM 0 HB2 ASN B 62 26.303 20.234 -6.455 1.00 0.00 H new ATOM 0 HB3 ASN B 62 24.668 20.548 -5.907 1.00 0.00 H new ATOM 0 HD21 ASN B 62 27.305 22.553 -3.982 1.00 0.00 H new ATOM 0 HD22 ASN B 62 27.081 22.230 -5.704 1.00 0.00 H new ATOM 2190 N ALA B 63 27.831 18.201 -5.425 1.00 0.00 N ATOM 2191 CA ALA B 63 29.119 17.722 -4.923 1.00 0.00 C ATOM 2192 C ALA B 63 29.619 18.606 -3.775 1.00 0.00 C ATOM 2193 O ALA B 63 30.787 18.552 -3.390 1.00 0.00 O ATOM 2194 CB ALA B 63 30.139 17.669 -6.051 1.00 0.00 C ATOM 0 H ALA B 63 27.879 18.678 -6.325 1.00 0.00 H new ATOM 0 HA ALA B 63 28.984 16.713 -4.534 1.00 0.00 H new ATOM 0 HB1 ALA B 63 31.092 17.311 -5.663 1.00 0.00 H new ATOM 0 HB2 ALA B 63 29.786 16.992 -6.829 1.00 0.00 H new ATOM 0 HB3 ALA B 63 30.270 18.667 -6.471 1.00 0.00 H new ATOM 2200 N GLN B 64 28.703 19.411 -3.240 1.00 0.00 N ATOM 2201 CA GLN B 64 28.957 20.294 -2.109 1.00 0.00 C ATOM 2202 C GLN B 64 30.094 21.271 -2.381 1.00 0.00 C ATOM 2203 O GLN B 64 31.008 21.431 -1.572 1.00 0.00 O ATOM 2204 CB GLN B 64 29.197 19.491 -0.828 1.00 0.00 C ATOM 2205 CG GLN B 64 27.977 18.684 -0.413 1.00 0.00 C ATOM 2206 CD GLN B 64 28.047 18.178 1.014 1.00 0.00 C ATOM 2207 OE1 GLN B 64 29.125 17.913 1.548 1.00 0.00 O ATOM 2208 NE2 GLN B 64 26.890 18.051 1.646 1.00 0.00 N ATOM 0 H GLN B 64 27.746 19.467 -3.589 1.00 0.00 H new ATOM 0 HA GLN B 64 28.060 20.896 -1.964 1.00 0.00 H new ATOM 0 HB2 GLN B 64 30.041 18.818 -0.977 1.00 0.00 H new ATOM 0 HB3 GLN B 64 29.471 20.171 -0.022 1.00 0.00 H new ATOM 0 HG2 GLN B 64 27.086 19.301 -0.529 1.00 0.00 H new ATOM 0 HG3 GLN B 64 27.866 17.834 -1.087 1.00 0.00 H new ATOM 0 HE21 GLN B 64 26.019 18.281 1.167 1.00 0.00 H new ATOM 0 HE22 GLN B 64 26.870 17.723 2.612 1.00 0.00 H new ATOM 2217 N LEU B 65 30.026 21.923 -3.532 1.00 0.00 N ATOM 2218 CA LEU B 65 30.885 23.064 -3.804 1.00 0.00 C ATOM 2219 C LEU B 65 30.260 24.303 -3.179 1.00 0.00 C ATOM 2220 O LEU B 65 29.034 24.425 -3.131 1.00 0.00 O ATOM 2221 CB LEU B 65 31.090 23.280 -5.310 1.00 0.00 C ATOM 2222 CG LEU B 65 32.103 22.350 -5.988 1.00 0.00 C ATOM 2223 CD1 LEU B 65 31.588 20.920 -6.051 1.00 0.00 C ATOM 2224 CD2 LEU B 65 32.435 22.858 -7.384 1.00 0.00 C ATOM 0 H LEU B 65 29.387 21.682 -4.290 1.00 0.00 H new ATOM 0 HA LEU B 65 31.866 22.872 -3.371 1.00 0.00 H new ATOM 0 HB2 LEU B 65 30.128 23.163 -5.809 1.00 0.00 H new ATOM 0 HB3 LEU B 65 31.408 24.310 -5.470 1.00 0.00 H new ATOM 0 HG LEU B 65 33.012 22.350 -5.387 1.00 0.00 H new ATOM 0 HD11 LEU B 65 32.330 20.287 -6.537 1.00 0.00 H new ATOM 0 HD12 LEU B 65 31.405 20.554 -5.041 1.00 0.00 H new ATOM 0 HD13 LEU B 65 30.659 20.893 -6.620 1.00 0.00 H new ATOM 0 HD21 LEU B 65 33.155 22.188 -7.853 1.00 0.00 H new ATOM 0 HD22 LEU B 65 31.526 22.892 -7.985 1.00 0.00 H new ATOM 0 HD23 LEU B 65 32.862 23.859 -7.315 1.00 0.00 H new