USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 717 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 51 TYR OH : rot 58:sc= 1.79 USER MOD Set 1.2: B 55 GLN : amide:sc= 0.667 K(o=2.5,f=1.1) USER MOD Set 2.1: A 51 TYR OH : rot -84:sc= 0.545 USER MOD Set 2.2: A 55 GLN : amide:sc= 2.93 K(o=3.5,f=0.061) USER MOD Set 3.1: A 21 GLN : amide:sc= 0.284 K(o=1.6,f=0.81) USER MOD Set 3.2: A 35 TYR OH : rot 180:sc= 0.296 USER MOD Set 3.3: B 61 LYS NZ :NH3+ -156:sc= 1.07 (180deg=0.205) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -73:sc= 1.26 USER MOD Single : A 47 ASN : amide:sc= 0.646 K(o=0.65,f=-0.35) USER MOD Single : A 61 LYS NZ :NH3+ -129:sc= 0.773 (180deg=0.579) USER MOD Single : A 62 ASN : amide:sc= 1.13 K(o=1.1,f=-1.4) USER MOD Single : B 21 GLN : amide:sc= -5.84! C(o=-5.8!,f=-7.1!) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 THR OG1 : rot -57:sc= 1.29 USER MOD Single : B 35 TYR OH : rot 180:sc= 0 USER MOD Single : B 47 ASN : amide:sc= -0.0163 K(o=-0.016,f=-0.62) USER MOD Single : B 62 ASN : amide:sc= 0.112 K(o=0.11,f=-4.1!) USER MOD Single : B 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 297 N ASP A 19 26.287 3.444 3.446 1.00 0.00 N ATOM 298 CA ASP A 19 26.409 4.762 2.825 1.00 0.00 C ATOM 299 C ASP A 19 26.510 4.629 1.316 1.00 0.00 C ATOM 300 O ASP A 19 26.508 5.623 0.589 1.00 0.00 O ATOM 301 CB ASP A 19 27.643 5.505 3.349 1.00 0.00 C ATOM 302 CG ASP A 19 27.626 5.698 4.849 1.00 0.00 C ATOM 303 OD1 ASP A 19 26.710 6.376 5.360 1.00 0.00 O ATOM 304 OD2 ASP A 19 28.539 5.176 5.524 1.00 0.00 O ATOM 0 HA ASP A 19 25.517 5.333 3.082 1.00 0.00 H new ATOM 0 HB2 ASP A 19 28.539 4.951 3.070 1.00 0.00 H new ATOM 0 HB3 ASP A 19 27.707 6.479 2.864 1.00 0.00 H new ATOM 309 N VAL A 20 26.589 3.393 0.854 1.00 0.00 N ATOM 310 CA VAL A 20 26.792 3.117 -0.556 1.00 0.00 C ATOM 311 C VAL A 20 25.466 3.138 -1.308 1.00 0.00 C ATOM 312 O VAL A 20 24.570 2.338 -1.035 1.00 0.00 O ATOM 313 CB VAL A 20 27.480 1.755 -0.769 1.00 0.00 C ATOM 314 CG1 VAL A 20 27.992 1.632 -2.198 1.00 0.00 C ATOM 315 CG2 VAL A 20 28.604 1.560 0.240 1.00 0.00 C ATOM 0 H VAL A 20 26.515 2.561 1.439 1.00 0.00 H new ATOM 0 HA VAL A 20 27.441 3.900 -0.948 1.00 0.00 H new ATOM 0 HB VAL A 20 26.746 0.965 -0.608 1.00 0.00 H new ATOM 0 HG11 VAL A 20 28.475 0.664 -2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 20 27.156 1.718 -2.893 1.00 0.00 H new ATOM 0 HG13 VAL A 20 28.712 2.426 -2.396 1.00 0.00 H new ATOM 0 HG21 VAL A 20 29.078 0.593 0.074 1.00 0.00 H new ATOM 0 HG22 VAL A 20 29.343 2.352 0.119 1.00 0.00 H new ATOM 0 HG23 VAL A 20 28.196 1.596 1.250 1.00 0.00 H new ATOM 325 N GLN A 21 25.354 4.064 -2.245 1.00 0.00 N ATOM 326 CA GLN A 21 24.155 4.210 -3.059 1.00 0.00 C ATOM 327 C GLN A 21 24.556 4.493 -4.503 1.00 0.00 C ATOM 328 O GLN A 21 25.685 4.909 -4.767 1.00 0.00 O ATOM 329 CB GLN A 21 23.280 5.340 -2.501 1.00 0.00 C ATOM 330 CG GLN A 21 24.055 6.613 -2.219 1.00 0.00 C ATOM 331 CD GLN A 21 23.295 7.591 -1.354 1.00 0.00 C ATOM 332 OE1 GLN A 21 22.484 7.202 -0.510 1.00 0.00 O ATOM 333 NE2 GLN A 21 23.567 8.868 -1.543 1.00 0.00 N ATOM 0 H GLN A 21 26.089 4.736 -2.464 1.00 0.00 H new ATOM 0 HA GLN A 21 23.576 3.287 -3.032 1.00 0.00 H new ATOM 0 HB2 GLN A 21 22.483 5.558 -3.212 1.00 0.00 H new ATOM 0 HB3 GLN A 21 22.804 5.001 -1.581 1.00 0.00 H new ATOM 0 HG2 GLN A 21 24.995 6.358 -1.729 1.00 0.00 H new ATOM 0 HG3 GLN A 21 24.308 7.094 -3.164 1.00 0.00 H new ATOM 0 HE21 GLN A 21 24.245 9.145 -2.253 1.00 0.00 H new ATOM 0 HE22 GLN A 21 23.099 9.578 -0.979 1.00 0.00 H new ATOM 342 N ILE A 22 23.654 4.249 -5.437 1.00 0.00 N ATOM 343 CA ILE A 22 23.936 4.503 -6.844 1.00 0.00 C ATOM 344 C ILE A 22 22.766 5.233 -7.497 1.00 0.00 C ATOM 345 O ILE A 22 21.626 5.121 -7.046 1.00 0.00 O ATOM 346 CB ILE A 22 24.233 3.196 -7.622 1.00 0.00 C ATOM 347 CG1 ILE A 22 25.392 2.429 -6.981 1.00 0.00 C ATOM 348 CG2 ILE A 22 24.567 3.499 -9.075 1.00 0.00 C ATOM 349 CD1 ILE A 22 25.848 1.247 -7.806 1.00 0.00 C ATOM 0 H ILE A 22 22.723 3.877 -5.251 1.00 0.00 H new ATOM 0 HA ILE A 22 24.828 5.129 -6.885 1.00 0.00 H new ATOM 0 HB ILE A 22 23.336 2.578 -7.583 1.00 0.00 H new ATOM 0 HG12 ILE A 22 26.232 3.108 -6.834 1.00 0.00 H new ATOM 0 HG13 ILE A 22 25.088 2.080 -5.994 1.00 0.00 H new ATOM 0 HG21 ILE A 22 24.772 2.568 -9.603 1.00 0.00 H new ATOM 0 HG22 ILE A 22 23.723 4.004 -9.545 1.00 0.00 H new ATOM 0 HG23 ILE A 22 25.446 4.143 -9.120 1.00 0.00 H new ATOM 0 HD11 ILE A 22 26.671 0.745 -7.298 1.00 0.00 H new ATOM 0 HD12 ILE A 22 25.020 0.550 -7.931 1.00 0.00 H new ATOM 0 HD13 ILE A 22 26.182 1.593 -8.784 1.00 0.00 H new ATOM 361 N ASP A 23 23.060 5.989 -8.548 1.00 0.00 N ATOM 362 CA ASP A 23 22.047 6.735 -9.268 1.00 0.00 C ATOM 363 C ASP A 23 21.294 5.827 -10.242 1.00 0.00 C ATOM 364 O ASP A 23 21.548 4.620 -10.319 1.00 0.00 O ATOM 365 CB ASP A 23 22.691 7.900 -10.028 1.00 0.00 C ATOM 366 CG ASP A 23 23.422 7.459 -11.281 1.00 0.00 C ATOM 367 OD1 ASP A 23 24.245 6.521 -11.203 1.00 0.00 O ATOM 368 OD2 ASP A 23 23.161 8.047 -12.352 1.00 0.00 O ATOM 0 H ASP A 23 24.003 6.099 -8.920 1.00 0.00 H new ATOM 0 HA ASP A 23 21.334 7.131 -8.545 1.00 0.00 H new ATOM 0 HB2 ASP A 23 21.919 8.620 -10.299 1.00 0.00 H new ATOM 0 HB3 ASP A 23 23.390 8.415 -9.369 1.00 0.00 H new ATOM 373 N PHE A 24 20.374 6.425 -10.985 1.00 0.00 N ATOM 374 CA PHE A 24 19.524 5.707 -11.924 1.00 0.00 C ATOM 375 C PHE A 24 20.333 5.088 -13.066 1.00 0.00 C ATOM 376 O PHE A 24 19.944 4.065 -13.631 1.00 0.00 O ATOM 377 CB PHE A 24 18.461 6.666 -12.482 1.00 0.00 C ATOM 378 CG PHE A 24 17.522 6.034 -13.471 1.00 0.00 C ATOM 379 CD1 PHE A 24 16.440 5.289 -13.038 1.00 0.00 C ATOM 380 CD2 PHE A 24 17.727 6.186 -14.834 1.00 0.00 C ATOM 381 CE1 PHE A 24 15.577 4.702 -13.944 1.00 0.00 C ATOM 382 CE2 PHE A 24 16.868 5.604 -15.745 1.00 0.00 C ATOM 383 CZ PHE A 24 15.791 4.860 -15.300 1.00 0.00 C ATOM 0 H PHE A 24 20.195 7.429 -10.953 1.00 0.00 H new ATOM 0 HA PHE A 24 19.041 4.888 -11.391 1.00 0.00 H new ATOM 0 HB2 PHE A 24 17.880 7.070 -11.653 1.00 0.00 H new ATOM 0 HB3 PHE A 24 18.962 7.508 -12.960 1.00 0.00 H new ATOM 0 HD1 PHE A 24 16.267 5.164 -11.979 1.00 0.00 H new ATOM 0 HD2 PHE A 24 18.567 6.766 -15.187 1.00 0.00 H new ATOM 0 HE1 PHE A 24 14.737 4.121 -13.593 1.00 0.00 H new ATOM 0 HE2 PHE A 24 17.037 5.730 -16.804 1.00 0.00 H new ATOM 0 HZ PHE A 24 15.118 4.403 -16.011 1.00 0.00 H new ATOM 393 N TYR A 25 21.463 5.698 -13.399 1.00 0.00 N ATOM 394 CA TYR A 25 22.251 5.254 -14.540 1.00 0.00 C ATOM 395 C TYR A 25 23.225 4.142 -14.162 1.00 0.00 C ATOM 396 O TYR A 25 23.733 3.436 -15.036 1.00 0.00 O ATOM 397 CB TYR A 25 22.994 6.434 -15.167 1.00 0.00 C ATOM 398 CG TYR A 25 22.071 7.429 -15.837 1.00 0.00 C ATOM 399 CD1 TYR A 25 21.386 8.383 -15.095 1.00 0.00 C ATOM 400 CD2 TYR A 25 21.876 7.406 -17.212 1.00 0.00 C ATOM 401 CE1 TYR A 25 20.538 9.288 -15.705 1.00 0.00 C ATOM 402 CE2 TYR A 25 21.031 8.308 -17.830 1.00 0.00 C ATOM 403 CZ TYR A 25 20.364 9.247 -17.072 1.00 0.00 C ATOM 404 OH TYR A 25 19.521 10.147 -17.683 1.00 0.00 O ATOM 0 H TYR A 25 21.852 6.497 -12.898 1.00 0.00 H new ATOM 0 HA TYR A 25 21.560 4.842 -15.276 1.00 0.00 H new ATOM 0 HB2 TYR A 25 23.570 6.944 -14.395 1.00 0.00 H new ATOM 0 HB3 TYR A 25 23.707 6.058 -15.901 1.00 0.00 H new ATOM 0 HD1 TYR A 25 21.518 8.418 -14.024 1.00 0.00 H new ATOM 0 HD2 TYR A 25 22.394 6.670 -17.809 1.00 0.00 H new ATOM 0 HE1 TYR A 25 20.014 10.024 -15.113 1.00 0.00 H new ATOM 0 HE2 TYR A 25 20.894 8.278 -18.901 1.00 0.00 H new ATOM 0 HH TYR A 25 19.512 9.983 -18.649 1.00 0.00 H new ATOM 414 N GLY A 26 23.488 3.979 -12.873 1.00 0.00 N ATOM 415 CA GLY A 26 24.321 2.883 -12.435 1.00 0.00 C ATOM 416 C GLY A 26 25.789 3.244 -12.395 1.00 0.00 C ATOM 417 O GLY A 26 26.640 2.422 -12.738 1.00 0.00 O ATOM 0 H GLY A 26 23.141 4.583 -12.128 1.00 0.00 H new ATOM 0 HA2 GLY A 26 24.002 2.564 -11.442 1.00 0.00 H new ATOM 0 HA3 GLY A 26 24.178 2.034 -13.104 1.00 0.00 H new ATOM 421 N ASP A 27 26.089 4.471 -11.996 1.00 0.00 N ATOM 422 CA ASP A 27 27.473 4.891 -11.832 1.00 0.00 C ATOM 423 C ASP A 27 27.924 4.620 -10.400 1.00 0.00 C ATOM 424 O ASP A 27 28.431 3.539 -10.098 1.00 0.00 O ATOM 425 CB ASP A 27 27.636 6.378 -12.177 1.00 0.00 C ATOM 426 CG ASP A 27 29.079 6.847 -12.115 1.00 0.00 C ATOM 427 OD1 ASP A 27 29.549 7.196 -11.016 1.00 0.00 O ATOM 428 OD2 ASP A 27 29.744 6.894 -13.170 1.00 0.00 O ATOM 0 H ASP A 27 25.398 5.190 -11.781 1.00 0.00 H new ATOM 0 HA ASP A 27 28.098 4.319 -12.517 1.00 0.00 H new ATOM 0 HB2 ASP A 27 27.244 6.558 -13.178 1.00 0.00 H new ATOM 0 HB3 ASP A 27 27.036 6.973 -11.488 1.00 0.00 H new ATOM 433 N GLU A 28 27.697 5.593 -9.525 1.00 0.00 N ATOM 434 CA GLU A 28 28.016 5.478 -8.106 1.00 0.00 C ATOM 435 C GLU A 28 27.749 6.814 -7.432 1.00 0.00 C ATOM 436 O GLU A 28 28.046 7.868 -7.997 1.00 0.00 O ATOM 437 CB GLU A 28 29.482 5.088 -7.886 1.00 0.00 C ATOM 438 CG GLU A 28 29.804 4.740 -6.445 1.00 0.00 C ATOM 439 CD GLU A 28 31.293 4.630 -6.194 1.00 0.00 C ATOM 440 OE1 GLU A 28 31.989 5.661 -6.276 1.00 0.00 O ATOM 441 OE2 GLU A 28 31.777 3.513 -5.913 1.00 0.00 O ATOM 0 H GLU A 28 27.284 6.490 -9.781 1.00 0.00 H new ATOM 0 HA GLU A 28 27.390 4.695 -7.677 1.00 0.00 H new ATOM 0 HB2 GLU A 28 29.722 4.235 -8.520 1.00 0.00 H new ATOM 0 HB3 GLU A 28 30.121 5.912 -8.204 1.00 0.00 H new ATOM 0 HG2 GLU A 28 29.383 5.501 -5.788 1.00 0.00 H new ATOM 0 HG3 GLU A 28 29.325 3.796 -6.187 1.00 0.00 H new ATOM 448 N VAL A 29 27.174 6.779 -6.243 1.00 0.00 N ATOM 449 CA VAL A 29 26.899 7.998 -5.504 1.00 0.00 C ATOM 450 C VAL A 29 27.359 7.856 -4.058 1.00 0.00 C ATOM 451 O VAL A 29 26.868 7.006 -3.317 1.00 0.00 O ATOM 452 CB VAL A 29 25.397 8.358 -5.528 1.00 0.00 C ATOM 453 CG1 VAL A 29 25.157 9.684 -4.830 1.00 0.00 C ATOM 454 CG2 VAL A 29 24.869 8.408 -6.954 1.00 0.00 C ATOM 0 H VAL A 29 26.889 5.922 -5.769 1.00 0.00 H new ATOM 0 HA VAL A 29 27.451 8.802 -5.991 1.00 0.00 H new ATOM 0 HB VAL A 29 24.856 7.578 -4.993 1.00 0.00 H new ATOM 0 HG11 VAL A 29 24.094 9.922 -4.856 1.00 0.00 H new ATOM 0 HG12 VAL A 29 25.488 9.615 -3.794 1.00 0.00 H new ATOM 0 HG13 VAL A 29 25.717 10.469 -5.338 1.00 0.00 H new ATOM 0 HG21 VAL A 29 23.809 8.664 -6.941 1.00 0.00 H new ATOM 0 HG22 VAL A 29 25.417 9.162 -7.519 1.00 0.00 H new ATOM 0 HG23 VAL A 29 25.002 7.434 -7.425 1.00 0.00 H new ATOM 464 N THR A 30 28.315 8.673 -3.666 1.00 0.00 N ATOM 465 CA THR A 30 28.811 8.655 -2.305 1.00 0.00 C ATOM 466 C THR A 30 28.379 9.927 -1.574 1.00 0.00 C ATOM 467 O THR A 30 27.813 10.830 -2.189 1.00 0.00 O ATOM 468 CB THR A 30 30.351 8.532 -2.291 1.00 0.00 C ATOM 469 OG1 THR A 30 30.943 9.674 -2.923 1.00 0.00 O ATOM 470 CG2 THR A 30 30.793 7.262 -3.004 1.00 0.00 C ATOM 0 H THR A 30 28.765 9.359 -4.272 1.00 0.00 H new ATOM 0 HA THR A 30 28.390 7.790 -1.793 1.00 0.00 H new ATOM 0 HB THR A 30 30.682 8.485 -1.254 1.00 0.00 H new ATOM 0 HG1 THR A 30 30.800 9.623 -3.891 1.00 0.00 H new ATOM 0 HG21 THR A 30 31.881 7.193 -2.984 1.00 0.00 H new ATOM 0 HG22 THR A 30 30.365 6.395 -2.501 1.00 0.00 H new ATOM 0 HG23 THR A 30 30.450 7.287 -4.038 1.00 0.00 H new ATOM 478 N PRO A 31 28.622 10.023 -0.251 1.00 0.00 N ATOM 479 CA PRO A 31 28.335 11.245 0.514 1.00 0.00 C ATOM 480 C PRO A 31 29.262 12.401 0.127 1.00 0.00 C ATOM 481 O PRO A 31 29.196 13.488 0.699 1.00 0.00 O ATOM 482 CB PRO A 31 28.576 10.822 1.968 1.00 0.00 C ATOM 483 CG PRO A 31 29.514 9.670 1.882 1.00 0.00 C ATOM 484 CD PRO A 31 29.169 8.952 0.607 1.00 0.00 C ATOM 0 HA PRO A 31 27.327 11.616 0.330 1.00 0.00 H new ATOM 0 HB2 PRO A 31 29.004 11.637 2.551 1.00 0.00 H new ATOM 0 HB3 PRO A 31 27.644 10.537 2.456 1.00 0.00 H new ATOM 0 HG2 PRO A 31 30.550 10.010 1.871 1.00 0.00 H new ATOM 0 HG3 PRO A 31 29.404 9.011 2.743 1.00 0.00 H new ATOM 0 HD2 PRO A 31 30.046 8.486 0.158 1.00 0.00 H new ATOM 0 HD3 PRO A 31 28.439 8.160 0.776 1.00 0.00 H new ATOM 492 N VAL A 32 30.127 12.146 -0.847 1.00 0.00 N ATOM 493 CA VAL A 32 31.058 13.146 -1.340 1.00 0.00 C ATOM 494 C VAL A 32 30.640 13.582 -2.748 1.00 0.00 C ATOM 495 O VAL A 32 31.398 14.228 -3.475 1.00 0.00 O ATOM 496 CB VAL A 32 32.503 12.588 -1.375 1.00 0.00 C ATOM 497 CG1 VAL A 32 33.524 13.712 -1.482 1.00 0.00 C ATOM 498 CG2 VAL A 32 32.783 11.723 -0.152 1.00 0.00 C ATOM 0 H VAL A 32 30.201 11.242 -1.314 1.00 0.00 H new ATOM 0 HA VAL A 32 31.037 14.002 -0.665 1.00 0.00 H new ATOM 0 HB VAL A 32 32.595 11.963 -2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 32 34.529 13.290 -1.504 1.00 0.00 H new ATOM 0 HG12 VAL A 32 33.348 14.278 -2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 32 33.428 14.374 -0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 32 33.804 11.344 -0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 32 32.661 12.320 0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 32 32.085 10.886 -0.131 1.00 0.00 H new ATOM 508 N ASP A 33 29.418 13.227 -3.126 1.00 0.00 N ATOM 509 CA ASP A 33 28.921 13.516 -4.467 1.00 0.00 C ATOM 510 C ASP A 33 27.702 14.420 -4.418 1.00 0.00 C ATOM 511 O ASP A 33 26.902 14.353 -3.486 1.00 0.00 O ATOM 512 CB ASP A 33 28.560 12.230 -5.216 1.00 0.00 C ATOM 513 CG ASP A 33 29.773 11.424 -5.633 1.00 0.00 C ATOM 514 OD1 ASP A 33 30.612 11.954 -6.391 1.00 0.00 O ATOM 515 OD2 ASP A 33 29.888 10.253 -5.214 1.00 0.00 O ATOM 0 H ASP A 33 28.754 12.740 -2.525 1.00 0.00 H new ATOM 0 HA ASP A 33 29.724 14.025 -4.999 1.00 0.00 H new ATOM 0 HB2 ASP A 33 27.923 11.614 -4.582 1.00 0.00 H new ATOM 0 HB3 ASP A 33 27.978 12.484 -6.102 1.00 0.00 H new ATOM 520 N ASP A 34 27.577 15.270 -5.424 1.00 0.00 N ATOM 521 CA ASP A 34 26.402 16.119 -5.568 1.00 0.00 C ATOM 522 C ASP A 34 25.373 15.423 -6.437 1.00 0.00 C ATOM 523 O ASP A 34 25.629 15.126 -7.608 1.00 0.00 O ATOM 524 CB ASP A 34 26.768 17.469 -6.186 1.00 0.00 C ATOM 525 CG ASP A 34 26.655 18.614 -5.200 1.00 0.00 C ATOM 526 OD1 ASP A 34 27.260 18.532 -4.108 1.00 0.00 O ATOM 527 OD2 ASP A 34 25.979 19.616 -5.521 1.00 0.00 O ATOM 0 H ASP A 34 28.277 15.392 -6.156 1.00 0.00 H new ATOM 0 HA ASP A 34 25.987 16.299 -4.576 1.00 0.00 H new ATOM 0 HB2 ASP A 34 27.788 17.424 -6.569 1.00 0.00 H new ATOM 0 HB3 ASP A 34 26.116 17.663 -7.038 1.00 0.00 H new ATOM 532 N TYR A 35 24.215 15.156 -5.871 1.00 0.00 N ATOM 533 CA TYR A 35 23.175 14.448 -6.588 1.00 0.00 C ATOM 534 C TYR A 35 21.810 14.982 -6.206 1.00 0.00 C ATOM 535 O TYR A 35 21.677 15.741 -5.253 1.00 0.00 O ATOM 536 CB TYR A 35 23.260 12.943 -6.309 1.00 0.00 C ATOM 537 CG TYR A 35 23.047 12.555 -4.858 1.00 0.00 C ATOM 538 CD1 TYR A 35 24.056 12.712 -3.914 1.00 0.00 C ATOM 539 CD2 TYR A 35 21.844 12.005 -4.443 1.00 0.00 C ATOM 540 CE1 TYR A 35 23.867 12.336 -2.598 1.00 0.00 C ATOM 541 CE2 TYR A 35 21.646 11.631 -3.129 1.00 0.00 C ATOM 542 CZ TYR A 35 22.661 11.794 -2.212 1.00 0.00 C ATOM 543 OH TYR A 35 22.463 11.413 -0.901 1.00 0.00 O ATOM 0 H TYR A 35 23.970 15.418 -4.916 1.00 0.00 H new ATOM 0 HA TYR A 35 23.322 14.609 -7.656 1.00 0.00 H new ATOM 0 HB2 TYR A 35 22.517 12.431 -6.921 1.00 0.00 H new ATOM 0 HB3 TYR A 35 24.238 12.583 -6.628 1.00 0.00 H new ATOM 0 HD1 TYR A 35 25.003 13.135 -4.215 1.00 0.00 H new ATOM 0 HD2 TYR A 35 21.048 11.867 -5.160 1.00 0.00 H new ATOM 0 HE1 TYR A 35 24.660 12.466 -1.876 1.00 0.00 H new ATOM 0 HE2 TYR A 35 20.699 11.212 -2.821 1.00 0.00 H new ATOM 0 HH TYR A 35 21.558 11.051 -0.799 1.00 0.00 H new ATOM 553 N VAL A 36 20.803 14.598 -6.958 1.00 0.00 N ATOM 554 CA VAL A 36 19.445 15.018 -6.689 1.00 0.00 C ATOM 555 C VAL A 36 18.528 13.810 -6.717 1.00 0.00 C ATOM 556 O VAL A 36 18.625 12.965 -7.608 1.00 0.00 O ATOM 557 CB VAL A 36 18.969 16.064 -7.717 1.00 0.00 C ATOM 558 CG1 VAL A 36 17.537 16.496 -7.446 1.00 0.00 C ATOM 559 CG2 VAL A 36 19.895 17.267 -7.711 1.00 0.00 C ATOM 0 H VAL A 36 20.901 13.988 -7.770 1.00 0.00 H new ATOM 0 HA VAL A 36 19.416 15.480 -5.702 1.00 0.00 H new ATOM 0 HB VAL A 36 18.996 15.601 -8.704 1.00 0.00 H new ATOM 0 HG11 VAL A 36 17.233 17.234 -8.189 1.00 0.00 H new ATOM 0 HG12 VAL A 36 16.878 15.629 -7.504 1.00 0.00 H new ATOM 0 HG13 VAL A 36 17.472 16.935 -6.451 1.00 0.00 H new ATOM 0 HG21 VAL A 36 19.547 17.998 -8.441 1.00 0.00 H new ATOM 0 HG22 VAL A 36 19.898 17.719 -6.719 1.00 0.00 H new ATOM 0 HG23 VAL A 36 20.906 16.950 -7.968 1.00 0.00 H new ATOM 569 N ILE A 37 17.670 13.712 -5.726 1.00 0.00 N ATOM 570 CA ILE A 37 16.765 12.592 -5.632 1.00 0.00 C ATOM 571 C ILE A 37 15.362 13.007 -6.063 1.00 0.00 C ATOM 572 O ILE A 37 14.776 13.952 -5.511 1.00 0.00 O ATOM 573 CB ILE A 37 16.754 12.004 -4.202 1.00 0.00 C ATOM 574 CG1 ILE A 37 18.145 11.455 -3.857 1.00 0.00 C ATOM 575 CG2 ILE A 37 15.708 10.909 -4.079 1.00 0.00 C ATOM 576 CD1 ILE A 37 18.242 10.832 -2.479 1.00 0.00 C ATOM 0 H ILE A 37 17.581 14.396 -4.974 1.00 0.00 H new ATOM 0 HA ILE A 37 17.116 11.811 -6.307 1.00 0.00 H new ATOM 0 HB ILE A 37 16.498 12.797 -3.499 1.00 0.00 H new ATOM 0 HG12 ILE A 37 18.424 10.709 -4.601 1.00 0.00 H new ATOM 0 HG13 ILE A 37 18.871 12.265 -3.930 1.00 0.00 H new ATOM 0 HG21 ILE A 37 15.717 10.509 -3.065 1.00 0.00 H new ATOM 0 HG22 ILE A 37 14.723 11.321 -4.298 1.00 0.00 H new ATOM 0 HG23 ILE A 37 15.932 10.110 -4.786 1.00 0.00 H new ATOM 0 HD11 ILE A 37 19.257 10.469 -2.314 1.00 0.00 H new ATOM 0 HD12 ILE A 37 17.997 11.579 -1.724 1.00 0.00 H new ATOM 0 HD13 ILE A 37 17.543 9.999 -2.406 1.00 0.00 H new ATOM 588 N ASP A 38 14.846 12.315 -7.075 1.00 0.00 N ATOM 589 CA ASP A 38 13.509 12.577 -7.590 1.00 0.00 C ATOM 590 C ASP A 38 12.513 11.661 -6.895 1.00 0.00 C ATOM 591 O ASP A 38 12.252 10.543 -7.346 1.00 0.00 O ATOM 592 CB ASP A 38 13.448 12.375 -9.114 1.00 0.00 C ATOM 593 CG ASP A 38 12.086 12.720 -9.706 1.00 0.00 C ATOM 594 OD1 ASP A 38 11.278 13.354 -9.007 1.00 0.00 O ATOM 595 OD2 ASP A 38 11.826 12.364 -10.881 1.00 0.00 O ATOM 0 H ASP A 38 15.339 11.563 -7.557 1.00 0.00 H new ATOM 0 HA ASP A 38 13.254 13.617 -7.385 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.211 12.993 -9.588 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.687 11.338 -9.347 1.00 0.00 H new ATOM 600 N GLY A 39 12.033 12.111 -5.742 1.00 0.00 N ATOM 601 CA GLY A 39 11.039 11.363 -4.990 1.00 0.00 C ATOM 602 C GLY A 39 11.625 10.201 -4.208 1.00 0.00 C ATOM 603 O GLY A 39 11.133 9.853 -3.140 1.00 0.00 O ATOM 0 H GLY A 39 12.317 12.990 -5.309 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.533 12.038 -4.300 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.283 10.984 -5.678 1.00 0.00 H new ATOM 607 N GLY A 40 12.682 9.612 -4.737 1.00 0.00 N ATOM 608 CA GLY A 40 13.249 8.412 -4.160 1.00 0.00 C ATOM 609 C GLY A 40 14.292 7.813 -5.073 1.00 0.00 C ATOM 610 O GLY A 40 15.165 7.066 -4.635 1.00 0.00 O ATOM 0 H GLY A 40 13.165 9.949 -5.569 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.697 8.645 -3.194 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.459 7.684 -3.977 1.00 0.00 H new ATOM 614 N GLU A 41 14.194 8.135 -6.356 1.00 0.00 N ATOM 615 CA GLU A 41 15.196 7.719 -7.321 1.00 0.00 C ATOM 616 C GLU A 41 16.384 8.673 -7.280 1.00 0.00 C ATOM 617 O GLU A 41 16.214 9.892 -7.311 1.00 0.00 O ATOM 618 CB GLU A 41 14.596 7.677 -8.727 1.00 0.00 C ATOM 619 CG GLU A 41 13.331 6.840 -8.811 1.00 0.00 C ATOM 620 CD GLU A 41 12.804 6.714 -10.224 1.00 0.00 C ATOM 621 OE1 GLU A 41 12.222 7.691 -10.739 1.00 0.00 O ATOM 622 OE2 GLU A 41 12.954 5.628 -10.820 1.00 0.00 O ATOM 0 H GLU A 41 13.429 8.683 -6.750 1.00 0.00 H new ATOM 0 HA GLU A 41 15.539 6.717 -7.063 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.374 8.694 -9.051 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.336 7.276 -9.420 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.532 5.845 -8.413 1.00 0.00 H new ATOM 0 HG3 GLU A 41 12.563 7.287 -8.180 1.00 0.00 H new ATOM 629 N ILE A 42 17.577 8.113 -7.189 1.00 0.00 N ATOM 630 CA ILE A 42 18.796 8.900 -7.085 1.00 0.00 C ATOM 631 C ILE A 42 19.355 9.206 -8.469 1.00 0.00 C ATOM 632 O ILE A 42 19.488 8.311 -9.294 1.00 0.00 O ATOM 633 CB ILE A 42 19.869 8.143 -6.267 1.00 0.00 C ATOM 634 CG1 ILE A 42 19.325 7.793 -4.880 1.00 0.00 C ATOM 635 CG2 ILE A 42 21.146 8.966 -6.146 1.00 0.00 C ATOM 636 CD1 ILE A 42 20.275 6.968 -4.040 1.00 0.00 C ATOM 0 H ILE A 42 17.730 7.104 -7.185 1.00 0.00 H new ATOM 0 HA ILE A 42 18.546 9.832 -6.578 1.00 0.00 H new ATOM 0 HB ILE A 42 20.112 7.220 -6.794 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.093 8.716 -4.348 1.00 0.00 H new ATOM 0 HG13 ILE A 42 18.389 7.247 -4.995 1.00 0.00 H new ATOM 0 HG21 ILE A 42 21.883 8.411 -5.566 1.00 0.00 H new ATOM 0 HG22 ILE A 42 21.544 9.169 -7.140 1.00 0.00 H new ATOM 0 HG23 ILE A 42 20.925 9.908 -5.645 1.00 0.00 H new ATOM 0 HD11 ILE A 42 19.819 6.761 -3.072 1.00 0.00 H new ATOM 0 HD12 ILE A 42 20.489 6.028 -4.549 1.00 0.00 H new ATOM 0 HD13 ILE A 42 21.203 7.520 -3.893 1.00 0.00 H new ATOM 648 N ILE A 43 19.647 10.469 -8.739 1.00 0.00 N ATOM 649 CA ILE A 43 20.309 10.840 -9.985 1.00 0.00 C ATOM 650 C ILE A 43 21.445 11.812 -9.691 1.00 0.00 C ATOM 651 O ILE A 43 21.229 12.863 -9.089 1.00 0.00 O ATOM 652 CB ILE A 43 19.351 11.491 -11.019 1.00 0.00 C ATOM 653 CG1 ILE A 43 18.005 10.765 -11.086 1.00 0.00 C ATOM 654 CG2 ILE A 43 19.995 11.489 -12.396 1.00 0.00 C ATOM 655 CD1 ILE A 43 16.985 11.277 -10.094 1.00 0.00 C ATOM 0 H ILE A 43 19.439 11.251 -8.118 1.00 0.00 H new ATOM 0 HA ILE A 43 20.684 9.915 -10.424 1.00 0.00 H new ATOM 0 HB ILE A 43 19.166 12.515 -10.694 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.600 10.863 -12.093 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.167 9.702 -10.910 1.00 0.00 H new ATOM 0 HG21 ILE A 43 19.317 11.947 -13.116 1.00 0.00 H new ATOM 0 HG22 ILE A 43 20.926 12.055 -12.363 1.00 0.00 H new ATOM 0 HG23 ILE A 43 20.205 10.463 -12.698 1.00 0.00 H new ATOM 0 HD11 ILE A 43 16.058 10.714 -10.202 1.00 0.00 H new ATOM 0 HD12 ILE A 43 17.369 11.154 -9.081 1.00 0.00 H new ATOM 0 HD13 ILE A 43 16.792 12.333 -10.283 1.00 0.00 H new ATOM 667 N LEU A 44 22.658 11.456 -10.094 1.00 0.00 N ATOM 668 CA LEU A 44 23.815 12.316 -9.880 1.00 0.00 C ATOM 669 C LEU A 44 23.654 13.610 -10.680 1.00 0.00 C ATOM 670 O LEU A 44 23.036 13.605 -11.742 1.00 0.00 O ATOM 671 CB LEU A 44 25.095 11.590 -10.301 1.00 0.00 C ATOM 672 CG LEU A 44 26.392 12.179 -9.748 1.00 0.00 C ATOM 673 CD1 LEU A 44 26.510 11.906 -8.256 1.00 0.00 C ATOM 674 CD2 LEU A 44 27.591 11.619 -10.497 1.00 0.00 C ATOM 0 H LEU A 44 22.866 10.578 -10.570 1.00 0.00 H new ATOM 0 HA LEU A 44 23.885 12.561 -8.820 1.00 0.00 H new ATOM 0 HB2 LEU A 44 25.024 10.549 -9.984 1.00 0.00 H new ATOM 0 HB3 LEU A 44 25.151 11.589 -11.390 1.00 0.00 H new ATOM 0 HG LEU A 44 26.372 13.259 -9.894 1.00 0.00 H new ATOM 0 HD11 LEU A 44 27.440 12.333 -7.880 1.00 0.00 H new ATOM 0 HD12 LEU A 44 25.666 12.359 -7.735 1.00 0.00 H new ATOM 0 HD13 LEU A 44 26.508 10.830 -8.082 1.00 0.00 H new ATOM 0 HD21 LEU A 44 28.507 12.049 -10.091 1.00 0.00 H new ATOM 0 HD22 LEU A 44 27.617 10.535 -10.383 1.00 0.00 H new ATOM 0 HD23 LEU A 44 27.510 11.871 -11.554 1.00 0.00 H new ATOM 686 N ARG A 45 24.220 14.708 -10.177 1.00 0.00 N ATOM 687 CA ARG A 45 24.070 16.024 -10.810 1.00 0.00 C ATOM 688 C ARG A 45 24.520 16.034 -12.272 1.00 0.00 C ATOM 689 O ARG A 45 24.060 16.862 -13.053 1.00 0.00 O ATOM 690 CB ARG A 45 24.844 17.087 -10.024 1.00 0.00 C ATOM 691 CG ARG A 45 23.998 17.837 -9.004 1.00 0.00 C ATOM 692 CD ARG A 45 23.335 19.070 -9.614 1.00 0.00 C ATOM 693 NE ARG A 45 22.692 18.791 -10.902 1.00 0.00 N ATOM 694 CZ ARG A 45 22.620 19.670 -11.906 1.00 0.00 C ATOM 695 NH1 ARG A 45 23.109 20.895 -11.763 1.00 0.00 N ATOM 696 NH2 ARG A 45 22.057 19.320 -13.056 1.00 0.00 N ATOM 0 H ARG A 45 24.789 14.714 -9.330 1.00 0.00 H new ATOM 0 HA ARG A 45 23.005 16.256 -10.796 1.00 0.00 H new ATOM 0 HB2 ARG A 45 25.678 16.609 -9.509 1.00 0.00 H new ATOM 0 HB3 ARG A 45 25.271 17.804 -10.725 1.00 0.00 H new ATOM 0 HG2 ARG A 45 23.232 17.171 -8.607 1.00 0.00 H new ATOM 0 HG3 ARG A 45 24.624 18.139 -8.164 1.00 0.00 H new ATOM 0 HD2 ARG A 45 22.591 19.458 -8.918 1.00 0.00 H new ATOM 0 HD3 ARG A 45 24.084 19.850 -9.748 1.00 0.00 H new ATOM 0 HE ARG A 45 22.275 17.871 -11.040 1.00 0.00 H new ATOM 0 HH11 ARG A 45 23.543 21.171 -10.882 1.00 0.00 H new ATOM 0 HH12 ARG A 45 23.051 21.561 -12.534 1.00 0.00 H new ATOM 0 HH21 ARG A 45 21.679 18.380 -13.174 1.00 0.00 H new ATOM 0 HH22 ARG A 45 22.002 19.991 -13.822 1.00 0.00 H new ATOM 710 N GLU A 46 25.385 15.105 -12.647 1.00 0.00 N ATOM 711 CA GLU A 46 25.908 15.077 -14.007 1.00 0.00 C ATOM 712 C GLU A 46 24.914 14.398 -14.952 1.00 0.00 C ATOM 713 O GLU A 46 24.918 14.643 -16.154 1.00 0.00 O ATOM 714 CB GLU A 46 27.260 14.353 -14.039 1.00 0.00 C ATOM 715 CG GLU A 46 27.993 14.461 -15.369 1.00 0.00 C ATOM 716 CD GLU A 46 28.320 15.893 -15.746 1.00 0.00 C ATOM 717 OE1 GLU A 46 29.270 16.463 -15.172 1.00 0.00 O ATOM 718 OE2 GLU A 46 27.638 16.454 -16.629 1.00 0.00 O ATOM 0 H GLU A 46 25.738 14.367 -12.038 1.00 0.00 H new ATOM 0 HA GLU A 46 26.053 16.103 -14.345 1.00 0.00 H new ATOM 0 HB2 GLU A 46 27.896 14.759 -13.252 1.00 0.00 H new ATOM 0 HB3 GLU A 46 27.101 13.300 -13.809 1.00 0.00 H new ATOM 0 HG2 GLU A 46 28.916 13.884 -15.318 1.00 0.00 H new ATOM 0 HG3 GLU A 46 27.381 14.014 -16.153 1.00 0.00 H new ATOM 725 N ASN A 47 24.043 13.567 -14.394 1.00 0.00 N ATOM 726 CA ASN A 47 23.103 12.786 -15.199 1.00 0.00 C ATOM 727 C ASN A 47 21.674 13.254 -14.946 1.00 0.00 C ATOM 728 O ASN A 47 20.716 12.701 -15.487 1.00 0.00 O ATOM 729 CB ASN A 47 23.203 11.291 -14.852 1.00 0.00 C ATOM 730 CG ASN A 47 24.622 10.749 -14.860 1.00 0.00 C ATOM 731 OD1 ASN A 47 25.499 11.258 -15.559 1.00 0.00 O ATOM 732 ND2 ASN A 47 24.857 9.696 -14.085 1.00 0.00 N ATOM 0 H ASN A 47 23.965 13.414 -13.389 1.00 0.00 H new ATOM 0 HA ASN A 47 23.359 12.932 -16.248 1.00 0.00 H new ATOM 0 HB2 ASN A 47 22.768 11.127 -13.866 1.00 0.00 H new ATOM 0 HB3 ASN A 47 22.604 10.722 -15.563 1.00 0.00 H new ATOM 0 HD21 ASN A 47 25.789 9.282 -14.055 1.00 0.00 H new ATOM 0 HD22 ASN A 47 24.106 9.301 -13.519 1.00 0.00 H new ATOM 739 N LEU A 48 21.550 14.300 -14.146 1.00 0.00 N ATOM 740 CA LEU A 48 20.273 14.688 -13.560 1.00 0.00 C ATOM 741 C LEU A 48 19.284 15.265 -14.568 1.00 0.00 C ATOM 742 O LEU A 48 18.193 14.724 -14.759 1.00 0.00 O ATOM 743 CB LEU A 48 20.499 15.720 -12.461 1.00 0.00 C ATOM 744 CG LEU A 48 19.222 16.210 -11.790 1.00 0.00 C ATOM 745 CD1 LEU A 48 18.651 15.125 -10.890 1.00 0.00 C ATOM 746 CD2 LEU A 48 19.480 17.492 -11.018 1.00 0.00 C ATOM 0 H LEU A 48 22.329 14.904 -13.883 1.00 0.00 H new ATOM 0 HA LEU A 48 19.836 13.772 -13.163 1.00 0.00 H new ATOM 0 HB2 LEU A 48 21.152 15.289 -11.702 1.00 0.00 H new ATOM 0 HB3 LEU A 48 21.025 16.576 -12.885 1.00 0.00 H new ATOM 0 HG LEU A 48 18.483 16.433 -12.560 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.739 15.488 -10.416 1.00 0.00 H new ATOM 0 HD12 LEU A 48 18.424 14.241 -11.485 1.00 0.00 H new ATOM 0 HD13 LEU A 48 19.381 14.868 -10.122 1.00 0.00 H new ATOM 0 HD21 LEU A 48 18.555 17.825 -10.546 1.00 0.00 H new ATOM 0 HD22 LEU A 48 20.233 17.310 -10.251 1.00 0.00 H new ATOM 0 HD23 LEU A 48 19.837 18.263 -11.701 1.00 0.00 H new ATOM 758 N GLU A 49 19.672 16.366 -15.198 1.00 0.00 N ATOM 759 CA GLU A 49 18.735 17.198 -15.951 1.00 0.00 C ATOM 760 C GLU A 49 18.081 16.474 -17.126 1.00 0.00 C ATOM 761 O GLU A 49 17.065 16.931 -17.638 1.00 0.00 O ATOM 762 CB GLU A 49 19.423 18.480 -16.419 1.00 0.00 C ATOM 763 CG GLU A 49 19.661 19.466 -15.285 1.00 0.00 C ATOM 764 CD GLU A 49 20.497 20.662 -15.695 1.00 0.00 C ATOM 765 OE1 GLU A 49 19.946 21.606 -16.298 1.00 0.00 O ATOM 766 OE2 GLU A 49 21.712 20.662 -15.401 1.00 0.00 O ATOM 0 H GLU A 49 20.633 16.707 -15.204 1.00 0.00 H new ATOM 0 HA GLU A 49 17.925 17.448 -15.266 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.377 18.227 -16.882 1.00 0.00 H new ATOM 0 HB3 GLU A 49 18.813 18.956 -17.187 1.00 0.00 H new ATOM 0 HG2 GLU A 49 18.699 19.816 -14.909 1.00 0.00 H new ATOM 0 HG3 GLU A 49 20.156 18.950 -14.462 1.00 0.00 H new ATOM 773 N ARG A 50 18.633 15.345 -17.546 1.00 0.00 N ATOM 774 CA ARG A 50 18.019 14.577 -18.620 1.00 0.00 C ATOM 775 C ARG A 50 16.874 13.726 -18.073 1.00 0.00 C ATOM 776 O ARG A 50 15.752 13.761 -18.596 1.00 0.00 O ATOM 777 CB ARG A 50 19.052 13.698 -19.328 1.00 0.00 C ATOM 778 CG ARG A 50 18.554 13.104 -20.639 1.00 0.00 C ATOM 779 CD ARG A 50 18.013 14.187 -21.558 1.00 0.00 C ATOM 780 NE ARG A 50 17.778 13.705 -22.920 1.00 0.00 N ATOM 781 CZ ARG A 50 16.826 14.177 -23.728 1.00 0.00 C ATOM 782 NH1 ARG A 50 15.933 15.045 -23.270 1.00 0.00 N ATOM 783 NH2 ARG A 50 16.760 13.768 -24.987 1.00 0.00 N ATOM 0 H ARG A 50 19.491 14.945 -17.167 1.00 0.00 H new ATOM 0 HA ARG A 50 17.617 15.276 -19.353 1.00 0.00 H new ATOM 0 HB2 ARG A 50 19.946 14.290 -19.524 1.00 0.00 H new ATOM 0 HB3 ARG A 50 19.345 12.888 -18.660 1.00 0.00 H new ATOM 0 HG2 ARG A 50 19.368 12.575 -21.135 1.00 0.00 H new ATOM 0 HG3 ARG A 50 17.773 12.371 -20.437 1.00 0.00 H new ATOM 0 HD2 ARG A 50 17.080 14.574 -21.148 1.00 0.00 H new ATOM 0 HD3 ARG A 50 18.717 15.018 -21.587 1.00 0.00 H new ATOM 0 HE ARG A 50 18.380 12.961 -23.274 1.00 0.00 H new ATOM 0 HH11 ARG A 50 15.973 15.353 -22.298 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.207 15.404 -23.889 1.00 0.00 H new ATOM 0 HH21 ARG A 50 17.437 13.092 -25.340 1.00 0.00 H new ATOM 0 HH22 ARG A 50 16.032 14.130 -25.603 1.00 0.00 H new ATOM 797 N TYR A 51 17.150 12.988 -17.001 1.00 0.00 N ATOM 798 CA TYR A 51 16.145 12.129 -16.387 1.00 0.00 C ATOM 799 C TYR A 51 14.994 12.966 -15.838 1.00 0.00 C ATOM 800 O TYR A 51 13.825 12.628 -16.024 1.00 0.00 O ATOM 801 CB TYR A 51 16.763 11.274 -15.277 1.00 0.00 C ATOM 802 CG TYR A 51 15.836 10.194 -14.758 1.00 0.00 C ATOM 803 CD1 TYR A 51 15.171 9.349 -15.635 1.00 0.00 C ATOM 804 CD2 TYR A 51 15.635 10.015 -13.396 1.00 0.00 C ATOM 805 CE1 TYR A 51 14.327 8.359 -15.172 1.00 0.00 C ATOM 806 CE2 TYR A 51 14.792 9.025 -12.923 1.00 0.00 C ATOM 807 CZ TYR A 51 14.141 8.200 -13.817 1.00 0.00 C ATOM 808 OH TYR A 51 13.307 7.206 -13.354 1.00 0.00 O ATOM 0 H TYR A 51 18.060 12.968 -16.541 1.00 0.00 H new ATOM 0 HA TYR A 51 15.754 11.460 -17.153 1.00 0.00 H new ATOM 0 HB2 TYR A 51 17.675 10.809 -15.652 1.00 0.00 H new ATOM 0 HB3 TYR A 51 17.053 11.921 -14.449 1.00 0.00 H new ATOM 0 HD1 TYR A 51 15.316 9.468 -16.699 1.00 0.00 H new ATOM 0 HD2 TYR A 51 16.145 10.659 -12.694 1.00 0.00 H new ATOM 0 HE1 TYR A 51 13.815 7.712 -15.869 1.00 0.00 H new ATOM 0 HE2 TYR A 51 14.644 8.899 -11.861 1.00 0.00 H new ATOM 0 HH TYR A 51 12.381 7.528 -13.357 1.00 0.00 H new ATOM 818 N LEU A 52 15.329 14.072 -15.183 1.00 0.00 N ATOM 819 CA LEU A 52 14.314 14.986 -14.678 1.00 0.00 C ATOM 820 C LEU A 52 13.518 15.597 -15.819 1.00 0.00 C ATOM 821 O LEU A 52 12.301 15.710 -15.731 1.00 0.00 O ATOM 822 CB LEU A 52 14.929 16.098 -13.827 1.00 0.00 C ATOM 823 CG LEU A 52 15.245 15.716 -12.381 1.00 0.00 C ATOM 824 CD1 LEU A 52 15.690 16.940 -11.602 1.00 0.00 C ATOM 825 CD2 LEU A 52 14.030 15.079 -11.724 1.00 0.00 C ATOM 0 H LEU A 52 16.290 14.355 -14.991 1.00 0.00 H new ATOM 0 HA LEU A 52 13.644 14.402 -14.047 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.849 16.433 -14.306 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.246 16.947 -13.820 1.00 0.00 H new ATOM 0 HG LEU A 52 16.057 14.989 -12.380 1.00 0.00 H new ATOM 0 HD11 LEU A 52 15.912 16.656 -10.573 1.00 0.00 H new ATOM 0 HD12 LEU A 52 16.584 17.360 -12.064 1.00 0.00 H new ATOM 0 HD13 LEU A 52 14.894 17.685 -11.609 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.271 14.812 -10.695 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.200 15.786 -11.731 1.00 0.00 H new ATOM 0 HD23 LEU A 52 13.747 14.182 -12.274 1.00 0.00 H new ATOM 837 N ARG A 53 14.209 15.967 -16.895 1.00 0.00 N ATOM 838 CA ARG A 53 13.569 16.594 -18.048 1.00 0.00 C ATOM 839 C ARG A 53 12.386 15.763 -18.530 1.00 0.00 C ATOM 840 O ARG A 53 11.297 16.291 -18.775 1.00 0.00 O ATOM 841 CB ARG A 53 14.570 16.754 -19.194 1.00 0.00 C ATOM 842 CG ARG A 53 14.078 17.650 -20.316 1.00 0.00 C ATOM 843 CD ARG A 53 15.045 17.667 -21.492 1.00 0.00 C ATOM 844 NE ARG A 53 16.432 17.895 -21.080 1.00 0.00 N ATOM 845 CZ ARG A 53 17.042 19.079 -21.119 1.00 0.00 C ATOM 846 NH1 ARG A 53 16.389 20.161 -21.524 1.00 0.00 N ATOM 847 NH2 ARG A 53 18.321 19.175 -20.770 1.00 0.00 N ATOM 0 H ARG A 53 15.217 15.842 -16.992 1.00 0.00 H new ATOM 0 HA ARG A 53 13.212 17.576 -17.737 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.500 17.161 -18.798 1.00 0.00 H new ATOM 0 HB3 ARG A 53 14.801 15.770 -19.602 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.101 17.306 -20.654 1.00 0.00 H new ATOM 0 HG3 ARG A 53 13.946 18.664 -19.940 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.980 16.718 -22.024 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.745 18.447 -22.192 1.00 0.00 H new ATOM 0 HE ARG A 53 16.966 17.095 -20.741 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.412 20.090 -21.809 1.00 0.00 H new ATOM 0 HH12 ARG A 53 16.864 21.063 -21.551 1.00 0.00 H new ATOM 0 HH21 ARG A 53 18.833 18.344 -20.473 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.791 20.080 -20.799 1.00 0.00 H new ATOM 861 N GLU A 54 12.600 14.459 -18.650 1.00 0.00 N ATOM 862 CA GLU A 54 11.572 13.579 -19.182 1.00 0.00 C ATOM 863 C GLU A 54 10.622 13.056 -18.105 1.00 0.00 C ATOM 864 O GLU A 54 9.479 12.723 -18.412 1.00 0.00 O ATOM 865 CB GLU A 54 12.199 12.418 -19.954 1.00 0.00 C ATOM 866 CG GLU A 54 12.862 12.859 -21.252 1.00 0.00 C ATOM 867 CD GLU A 54 13.304 11.695 -22.115 1.00 0.00 C ATOM 868 OE1 GLU A 54 12.431 10.939 -22.591 1.00 0.00 O ATOM 869 OE2 GLU A 54 14.522 11.540 -22.329 1.00 0.00 O ATOM 0 H GLU A 54 13.468 13.992 -18.388 1.00 0.00 H new ATOM 0 HA GLU A 54 10.973 14.180 -19.866 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.939 11.926 -19.323 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.429 11.679 -20.178 1.00 0.00 H new ATOM 0 HG2 GLU A 54 12.166 13.479 -21.817 1.00 0.00 H new ATOM 0 HG3 GLU A 54 13.727 13.481 -21.019 1.00 0.00 H new ATOM 876 N GLN A 55 11.052 12.984 -16.846 1.00 0.00 N ATOM 877 CA GLN A 55 10.192 12.415 -15.819 1.00 0.00 C ATOM 878 C GLN A 55 9.486 13.493 -15.001 1.00 0.00 C ATOM 879 O GLN A 55 8.271 13.660 -15.131 1.00 0.00 O ATOM 880 CB GLN A 55 10.972 11.475 -14.893 1.00 0.00 C ATOM 881 CG GLN A 55 10.106 10.848 -13.810 1.00 0.00 C ATOM 882 CD GLN A 55 10.783 9.697 -13.096 1.00 0.00 C ATOM 883 OE1 GLN A 55 10.671 8.547 -13.520 1.00 0.00 O ATOM 884 NE2 GLN A 55 11.476 9.985 -12.008 1.00 0.00 N ATOM 0 H GLN A 55 11.965 13.304 -16.522 1.00 0.00 H new ATOM 0 HA GLN A 55 9.429 11.836 -16.339 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.428 10.684 -15.489 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.785 12.029 -14.424 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.838 11.612 -13.080 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.177 10.494 -14.257 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.545 10.951 -11.688 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.941 9.241 -11.488 1.00 0.00 H new ATOM 893 N LEU A 56 10.254 14.249 -14.203 1.00 0.00 N ATOM 894 CA LEU A 56 9.673 15.158 -13.202 1.00 0.00 C ATOM 895 C LEU A 56 8.510 14.467 -12.492 1.00 0.00 C ATOM 896 O LEU A 56 7.447 15.054 -12.284 1.00 0.00 O ATOM 897 CB LEU A 56 9.193 16.463 -13.849 1.00 0.00 C ATOM 898 CG LEU A 56 10.297 17.399 -14.344 1.00 0.00 C ATOM 899 CD1 LEU A 56 9.697 18.646 -14.968 1.00 0.00 C ATOM 900 CD2 LEU A 56 11.240 17.774 -13.209 1.00 0.00 C ATOM 0 H LEU A 56 11.274 14.250 -14.230 1.00 0.00 H new ATOM 0 HA LEU A 56 10.447 15.407 -12.476 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.547 16.214 -14.691 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.581 17.002 -13.126 1.00 0.00 H new ATOM 0 HG LEU A 56 10.872 16.872 -15.105 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.497 19.300 -15.315 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.068 18.364 -15.812 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.095 19.171 -14.226 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.016 18.440 -13.586 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.680 18.279 -12.422 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.700 16.872 -12.805 1.00 0.00 H new ATOM 912 N GLY A 57 8.726 13.208 -12.132 1.00 0.00 N ATOM 913 CA GLY A 57 7.635 12.368 -11.684 1.00 0.00 C ATOM 914 C GLY A 57 7.546 12.213 -10.184 1.00 0.00 C ATOM 915 O GLY A 57 6.522 11.749 -9.682 1.00 0.00 O ATOM 0 H GLY A 57 9.639 12.754 -12.143 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.697 12.784 -12.051 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.743 11.381 -12.134 1.00 0.00 H new ATOM 919 N PHE A 58 8.602 12.592 -9.462 1.00 0.00 N ATOM 920 CA PHE A 58 8.615 12.464 -8.006 1.00 0.00 C ATOM 921 C PHE A 58 8.368 11.001 -7.637 1.00 0.00 C ATOM 922 O PHE A 58 8.716 10.088 -8.393 1.00 0.00 O ATOM 923 CB PHE A 58 7.518 13.343 -7.371 1.00 0.00 C ATOM 924 CG PHE A 58 7.529 14.797 -7.773 1.00 0.00 C ATOM 925 CD1 PHE A 58 7.135 15.190 -9.044 1.00 0.00 C ATOM 926 CD2 PHE A 58 7.908 15.771 -6.866 1.00 0.00 C ATOM 927 CE1 PHE A 58 7.126 16.527 -9.401 1.00 0.00 C ATOM 928 CE2 PHE A 58 7.895 17.109 -7.217 1.00 0.00 C ATOM 929 CZ PHE A 58 7.505 17.486 -8.485 1.00 0.00 C ATOM 0 H PHE A 58 9.454 12.988 -9.860 1.00 0.00 H new ATOM 0 HA PHE A 58 9.583 12.793 -7.629 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.546 12.921 -7.629 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.614 13.284 -6.287 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.832 14.444 -9.763 1.00 0.00 H new ATOM 0 HD2 PHE A 58 8.218 15.483 -5.872 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.823 16.819 -10.396 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.190 17.859 -6.498 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.496 18.530 -8.760 1.00 0.00 H new ATOM 939 N GLU A 59 7.785 10.773 -6.471 1.00 0.00 N ATOM 940 CA GLU A 59 7.196 9.478 -6.183 1.00 0.00 C ATOM 941 C GLU A 59 5.707 9.644 -5.943 1.00 0.00 C ATOM 942 O GLU A 59 5.278 10.079 -4.873 1.00 0.00 O ATOM 943 CB GLU A 59 7.851 8.808 -4.975 1.00 0.00 C ATOM 944 CG GLU A 59 9.224 8.227 -5.265 1.00 0.00 C ATOM 945 CD GLU A 59 9.336 6.775 -4.855 1.00 0.00 C ATOM 946 OE1 GLU A 59 9.100 6.463 -3.668 1.00 0.00 O ATOM 947 OE2 GLU A 59 9.657 5.934 -5.720 1.00 0.00 O ATOM 0 H GLU A 59 7.708 11.458 -5.719 1.00 0.00 H new ATOM 0 HA GLU A 59 7.365 8.831 -7.044 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.938 9.538 -4.170 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.199 8.012 -4.615 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.436 8.318 -6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.980 8.809 -4.739 1.00 0.00 H new ATOM 954 N PHE A 60 4.926 9.297 -6.953 1.00 0.00 N ATOM 955 CA PHE A 60 3.480 9.348 -6.854 1.00 0.00 C ATOM 956 C PHE A 60 2.958 8.085 -6.193 1.00 0.00 C ATOM 957 O PHE A 60 2.913 7.020 -6.806 1.00 0.00 O ATOM 958 CB PHE A 60 2.828 9.521 -8.229 1.00 0.00 C ATOM 959 CG PHE A 60 3.023 10.884 -8.837 1.00 0.00 C ATOM 960 CD1 PHE A 60 2.687 12.027 -8.129 1.00 0.00 C ATOM 961 CD2 PHE A 60 3.525 11.020 -10.120 1.00 0.00 C ATOM 962 CE1 PHE A 60 2.851 13.282 -8.689 1.00 0.00 C ATOM 963 CE2 PHE A 60 3.694 12.271 -10.685 1.00 0.00 C ATOM 964 CZ PHE A 60 3.356 13.402 -9.969 1.00 0.00 C ATOM 0 H PHE A 60 5.274 8.975 -7.856 1.00 0.00 H new ATOM 0 HA PHE A 60 3.219 10.214 -6.245 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.234 8.771 -8.908 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.760 9.325 -8.139 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.292 11.937 -7.128 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.788 10.139 -10.686 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.585 14.165 -8.127 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.090 12.363 -11.686 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.486 14.380 -10.409 1.00 0.00 H new ATOM 974 N LYS A 61 2.589 8.209 -4.932 1.00 0.00 N ATOM 975 CA LYS A 61 2.039 7.094 -4.186 1.00 0.00 C ATOM 976 C LYS A 61 0.555 7.330 -3.950 1.00 0.00 C ATOM 977 O LYS A 61 0.021 7.008 -2.890 1.00 0.00 O ATOM 978 CB LYS A 61 2.779 6.933 -2.856 1.00 0.00 C ATOM 979 CG LYS A 61 4.280 6.736 -3.012 1.00 0.00 C ATOM 980 CD LYS A 61 4.611 5.423 -3.702 1.00 0.00 C ATOM 981 CE LYS A 61 6.102 5.300 -3.971 1.00 0.00 C ATOM 982 NZ LYS A 61 6.903 5.342 -2.720 1.00 0.00 N ATOM 0 H LYS A 61 2.661 9.077 -4.401 1.00 0.00 H new ATOM 0 HA LYS A 61 2.166 6.175 -4.758 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.599 7.815 -2.241 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.363 6.080 -2.320 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.697 7.563 -3.587 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.753 6.760 -2.030 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.282 4.590 -3.081 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.063 5.356 -4.642 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.299 4.365 -4.495 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.418 6.108 -4.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.660 6.049 -2.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.288 5.600 -1.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.323 4.407 -2.545 1.00 0.00 H new ATOM 996 N ASN A 62 -0.094 7.898 -4.964 1.00 0.00 N ATOM 997 CA ASN A 62 -1.515 8.214 -4.901 1.00 0.00 C ATOM 998 C ASN A 62 -2.329 6.974 -4.565 1.00 0.00 C ATOM 999 O ASN A 62 -2.332 5.992 -5.312 1.00 0.00 O ATOM 1000 CB ASN A 62 -1.997 8.809 -6.227 1.00 0.00 C ATOM 1001 CG ASN A 62 -1.388 10.170 -6.514 1.00 0.00 C ATOM 1002 OD1 ASN A 62 -0.355 10.277 -7.180 1.00 0.00 O ATOM 1003 ND2 ASN A 62 -2.014 11.218 -6.005 1.00 0.00 N ATOM 0 H ASN A 62 0.350 8.150 -5.847 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.659 8.952 -4.112 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.748 8.126 -7.039 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.083 8.898 -6.207 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.645 12.156 -6.158 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.866 11.088 -5.460 1.00 0.00 H new ATOM 1010 N ALA A 63 -3.034 7.037 -3.449 1.00 0.00 N ATOM 1011 CA ALA A 63 -3.785 5.904 -2.942 1.00 0.00 C ATOM 1012 C ALA A 63 -5.191 5.890 -3.515 1.00 0.00 C ATOM 1013 O ALA A 63 -6.178 5.833 -2.779 1.00 0.00 O ATOM 1014 CB ALA A 63 -3.830 5.939 -1.427 1.00 0.00 C ATOM 0 H ALA A 63 -3.101 7.874 -2.870 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.281 4.990 -3.255 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.397 5.083 -1.060 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.815 5.899 -1.032 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.311 6.860 -1.098 1.00 0.00 H new ATOM 1477 N ASP B 19 3.594 -0.600 4.430 1.00 0.00 N ATOM 1478 CA ASP B 19 4.147 0.661 3.950 1.00 0.00 C ATOM 1479 C ASP B 19 3.411 1.820 4.603 1.00 0.00 C ATOM 1480 O ASP B 19 2.589 2.491 3.979 1.00 0.00 O ATOM 1481 CB ASP B 19 4.061 0.745 2.419 1.00 0.00 C ATOM 1482 CG ASP B 19 4.840 1.918 1.842 1.00 0.00 C ATOM 1483 OD1 ASP B 19 5.967 2.179 2.315 1.00 0.00 O ATOM 1484 OD2 ASP B 19 4.346 2.557 0.885 1.00 0.00 O ATOM 0 HA ASP B 19 5.201 0.716 4.223 1.00 0.00 H new ATOM 0 HB2 ASP B 19 4.439 -0.182 1.988 1.00 0.00 H new ATOM 0 HB3 ASP B 19 3.015 0.830 2.124 1.00 0.00 H new ATOM 1489 N VAL B 20 3.660 1.995 5.891 1.00 0.00 N ATOM 1490 CA VAL B 20 3.038 3.070 6.660 1.00 0.00 C ATOM 1491 C VAL B 20 4.070 4.121 7.049 1.00 0.00 C ATOM 1492 O VAL B 20 5.148 3.791 7.551 1.00 0.00 O ATOM 1493 CB VAL B 20 2.351 2.537 7.939 1.00 0.00 C ATOM 1494 CG1 VAL B 20 1.709 3.672 8.732 1.00 0.00 C ATOM 1495 CG2 VAL B 20 1.314 1.478 7.590 1.00 0.00 C ATOM 0 H VAL B 20 4.292 1.404 6.432 1.00 0.00 H new ATOM 0 HA VAL B 20 2.279 3.520 6.020 1.00 0.00 H new ATOM 0 HB VAL B 20 3.117 2.079 8.564 1.00 0.00 H new ATOM 0 HG11 VAL B 20 1.234 3.268 9.626 1.00 0.00 H new ATOM 0 HG12 VAL B 20 2.475 4.392 9.022 1.00 0.00 H new ATOM 0 HG13 VAL B 20 0.960 4.168 8.115 1.00 0.00 H new ATOM 0 HG21 VAL B 20 0.842 1.116 8.503 1.00 0.00 H new ATOM 0 HG22 VAL B 20 0.556 1.912 6.938 1.00 0.00 H new ATOM 0 HG23 VAL B 20 1.800 0.647 7.079 1.00 0.00 H new ATOM 1505 N GLN B 21 3.735 5.377 6.808 1.00 0.00 N ATOM 1506 CA GLN B 21 4.607 6.491 7.144 1.00 0.00 C ATOM 1507 C GLN B 21 3.781 7.719 7.513 1.00 0.00 C ATOM 1508 O GLN B 21 2.565 7.639 7.646 1.00 0.00 O ATOM 1509 CB GLN B 21 5.565 6.814 5.979 1.00 0.00 C ATOM 1510 CG GLN B 21 5.016 6.520 4.584 1.00 0.00 C ATOM 1511 CD GLN B 21 3.706 7.220 4.286 1.00 0.00 C ATOM 1512 OE1 GLN B 21 2.635 6.663 4.485 1.00 0.00 O ATOM 1513 NE2 GLN B 21 3.783 8.452 3.820 1.00 0.00 N ATOM 0 H GLN B 21 2.854 5.653 6.375 1.00 0.00 H new ATOM 0 HA GLN B 21 5.209 6.203 8.006 1.00 0.00 H new ATOM 0 HB2 GLN B 21 5.832 7.869 6.032 1.00 0.00 H new ATOM 0 HB3 GLN B 21 6.484 6.245 6.117 1.00 0.00 H new ATOM 0 HG2 GLN B 21 5.755 6.820 3.841 1.00 0.00 H new ATOM 0 HG3 GLN B 21 4.876 5.444 4.478 1.00 0.00 H new ATOM 0 HE21 GLN B 21 4.695 8.883 3.667 1.00 0.00 H new ATOM 0 HE22 GLN B 21 2.931 8.973 3.613 1.00 0.00 H new ATOM 1522 N ILE B 22 4.440 8.847 7.701 1.00 0.00 N ATOM 1523 CA ILE B 22 3.743 10.098 7.953 1.00 0.00 C ATOM 1524 C ILE B 22 4.218 11.147 6.964 1.00 0.00 C ATOM 1525 O ILE B 22 5.361 11.099 6.506 1.00 0.00 O ATOM 1526 CB ILE B 22 3.958 10.621 9.393 1.00 0.00 C ATOM 1527 CG1 ILE B 22 3.507 9.591 10.420 1.00 0.00 C ATOM 1528 CG2 ILE B 22 3.182 11.911 9.613 1.00 0.00 C ATOM 1529 CD1 ILE B 22 3.600 10.098 11.837 1.00 0.00 C ATOM 0 H ILE B 22 5.457 8.925 7.684 1.00 0.00 H new ATOM 0 HA ILE B 22 2.677 9.905 7.832 1.00 0.00 H new ATOM 0 HB ILE B 22 5.024 10.809 9.519 1.00 0.00 H new ATOM 0 HG12 ILE B 22 2.477 9.302 10.209 1.00 0.00 H new ATOM 0 HG13 ILE B 22 4.117 8.693 10.319 1.00 0.00 H new ATOM 0 HG21 ILE B 22 3.345 12.264 10.631 1.00 0.00 H new ATOM 0 HG22 ILE B 22 3.526 12.667 8.907 1.00 0.00 H new ATOM 0 HG23 ILE B 22 2.119 11.727 9.459 1.00 0.00 H new ATOM 0 HD11 ILE B 22 3.266 9.321 12.524 1.00 0.00 H new ATOM 0 HD12 ILE B 22 4.633 10.361 12.062 1.00 0.00 H new ATOM 0 HD13 ILE B 22 2.968 10.979 11.950 1.00 0.00 H new ATOM 1541 N ASP B 23 3.345 12.080 6.625 1.00 0.00 N ATOM 1542 CA ASP B 23 3.690 13.135 5.698 1.00 0.00 C ATOM 1543 C ASP B 23 4.419 14.267 6.429 1.00 0.00 C ATOM 1544 O ASP B 23 4.806 14.122 7.591 1.00 0.00 O ATOM 1545 CB ASP B 23 2.428 13.659 5.010 1.00 0.00 C ATOM 1546 CG ASP B 23 1.746 14.773 5.775 1.00 0.00 C ATOM 1547 OD1 ASP B 23 1.382 14.569 6.951 1.00 0.00 O ATOM 1548 OD2 ASP B 23 1.600 15.868 5.192 1.00 0.00 O ATOM 0 H ASP B 23 2.390 12.125 6.981 1.00 0.00 H new ATOM 0 HA ASP B 23 4.359 12.734 4.937 1.00 0.00 H new ATOM 0 HB2 ASP B 23 2.688 14.018 4.014 1.00 0.00 H new ATOM 0 HB3 ASP B 23 1.726 12.836 4.879 1.00 0.00 H new ATOM 1553 N PHE B 24 4.611 15.383 5.740 1.00 0.00 N ATOM 1554 CA PHE B 24 5.323 16.532 6.283 1.00 0.00 C ATOM 1555 C PHE B 24 4.485 17.245 7.344 1.00 0.00 C ATOM 1556 O PHE B 24 5.025 17.872 8.258 1.00 0.00 O ATOM 1557 CB PHE B 24 5.672 17.495 5.139 1.00 0.00 C ATOM 1558 CG PHE B 24 6.550 18.647 5.537 1.00 0.00 C ATOM 1559 CD1 PHE B 24 7.917 18.474 5.674 1.00 0.00 C ATOM 1560 CD2 PHE B 24 6.009 19.901 5.771 1.00 0.00 C ATOM 1561 CE1 PHE B 24 8.731 19.529 6.039 1.00 0.00 C ATOM 1562 CE2 PHE B 24 6.817 20.961 6.136 1.00 0.00 C ATOM 1563 CZ PHE B 24 8.179 20.775 6.271 1.00 0.00 C ATOM 0 H PHE B 24 4.277 15.518 4.786 1.00 0.00 H new ATOM 0 HA PHE B 24 6.239 16.187 6.762 1.00 0.00 H new ATOM 0 HB2 PHE B 24 6.168 16.933 4.348 1.00 0.00 H new ATOM 0 HB3 PHE B 24 4.747 17.889 4.718 1.00 0.00 H new ATOM 0 HD1 PHE B 24 8.352 17.502 5.493 1.00 0.00 H new ATOM 0 HD2 PHE B 24 4.945 20.052 5.667 1.00 0.00 H new ATOM 0 HE1 PHE B 24 9.796 19.381 6.143 1.00 0.00 H new ATOM 0 HE2 PHE B 24 6.384 21.934 6.316 1.00 0.00 H new ATOM 0 HZ PHE B 24 8.812 21.602 6.557 1.00 0.00 H new ATOM 1573 N TYR B 25 3.170 17.130 7.223 1.00 0.00 N ATOM 1574 CA TYR B 25 2.250 17.841 8.095 1.00 0.00 C ATOM 1575 C TYR B 25 2.166 17.179 9.472 1.00 0.00 C ATOM 1576 O TYR B 25 1.947 17.858 10.475 1.00 0.00 O ATOM 1577 CB TYR B 25 0.865 17.903 7.443 1.00 0.00 C ATOM 1578 CG TYR B 25 -0.060 18.942 8.038 1.00 0.00 C ATOM 1579 CD1 TYR B 25 0.098 20.289 7.733 1.00 0.00 C ATOM 1580 CD2 TYR B 25 -1.093 18.580 8.893 1.00 0.00 C ATOM 1581 CE1 TYR B 25 -0.747 21.244 8.261 1.00 0.00 C ATOM 1582 CE2 TYR B 25 -1.944 19.530 9.423 1.00 0.00 C ATOM 1583 CZ TYR B 25 -1.765 20.860 9.104 1.00 0.00 C ATOM 1584 OH TYR B 25 -2.613 21.810 9.627 1.00 0.00 O ATOM 0 H TYR B 25 2.715 16.545 6.522 1.00 0.00 H new ATOM 0 HA TYR B 25 2.625 18.854 8.239 1.00 0.00 H new ATOM 0 HB2 TYR B 25 0.986 18.109 6.379 1.00 0.00 H new ATOM 0 HB3 TYR B 25 0.393 16.924 7.526 1.00 0.00 H new ATOM 0 HD1 TYR B 25 0.896 20.593 7.072 1.00 0.00 H new ATOM 0 HD2 TYR B 25 -1.233 17.540 9.147 1.00 0.00 H new ATOM 0 HE1 TYR B 25 -0.610 22.286 8.014 1.00 0.00 H new ATOM 0 HE2 TYR B 25 -2.745 19.233 10.084 1.00 0.00 H new ATOM 0 HH TYR B 25 -3.277 21.375 10.201 1.00 0.00 H new ATOM 1594 N GLY B 26 2.350 15.864 9.529 1.00 0.00 N ATOM 1595 CA GLY B 26 2.276 15.174 10.797 1.00 0.00 C ATOM 1596 C GLY B 26 0.956 14.463 10.971 1.00 0.00 C ATOM 1597 O GLY B 26 0.454 14.323 12.088 1.00 0.00 O ATOM 0 H GLY B 26 2.548 15.270 8.724 1.00 0.00 H new ATOM 0 HA2 GLY B 26 3.090 14.452 10.866 1.00 0.00 H new ATOM 0 HA3 GLY B 26 2.414 15.889 11.608 1.00 0.00 H new ATOM 1601 N ASP B 27 0.381 14.039 9.858 1.00 0.00 N ATOM 1602 CA ASP B 27 -0.793 13.192 9.888 1.00 0.00 C ATOM 1603 C ASP B 27 -0.404 11.819 9.376 1.00 0.00 C ATOM 1604 O ASP B 27 0.280 11.711 8.356 1.00 0.00 O ATOM 1605 CB ASP B 27 -1.917 13.779 9.032 1.00 0.00 C ATOM 1606 CG ASP B 27 -3.240 13.093 9.294 1.00 0.00 C ATOM 1607 OD1 ASP B 27 -3.818 13.313 10.386 1.00 0.00 O ATOM 1608 OD2 ASP B 27 -3.710 12.327 8.432 1.00 0.00 O ATOM 0 H ASP B 27 0.712 14.270 8.921 1.00 0.00 H new ATOM 0 HA ASP B 27 -1.164 13.122 10.911 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -2.013 14.845 9.239 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -1.660 13.681 7.977 1.00 0.00 H new ATOM 1613 N GLU B 28 -0.796 10.774 10.090 1.00 0.00 N ATOM 1614 CA GLU B 28 -0.368 9.433 9.731 1.00 0.00 C ATOM 1615 C GLU B 28 -0.929 9.038 8.378 1.00 0.00 C ATOM 1616 O GLU B 28 -2.142 9.061 8.155 1.00 0.00 O ATOM 1617 CB GLU B 28 -0.780 8.401 10.776 1.00 0.00 C ATOM 1618 CG GLU B 28 0.006 7.111 10.650 1.00 0.00 C ATOM 1619 CD GLU B 28 -0.497 6.016 11.569 1.00 0.00 C ATOM 1620 OE1 GLU B 28 -1.515 5.369 11.242 1.00 0.00 O ATOM 1621 OE2 GLU B 28 0.126 5.802 12.630 1.00 0.00 O ATOM 0 H GLU B 28 -1.401 10.828 10.909 1.00 0.00 H new ATOM 0 HA GLU B 28 0.721 9.449 9.684 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -0.633 8.818 11.773 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -1.844 8.187 10.673 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -0.043 6.762 9.618 1.00 0.00 H new ATOM 0 HG3 GLU B 28 1.055 7.309 10.870 1.00 0.00 H new ATOM 1628 N VAL B 29 -0.035 8.670 7.484 1.00 0.00 N ATOM 1629 CA VAL B 29 -0.404 8.313 6.132 1.00 0.00 C ATOM 1630 C VAL B 29 -0.345 6.800 5.963 1.00 0.00 C ATOM 1631 O VAL B 29 0.634 6.158 6.340 1.00 0.00 O ATOM 1632 CB VAL B 29 0.529 8.993 5.106 1.00 0.00 C ATOM 1633 CG1 VAL B 29 0.084 8.704 3.687 1.00 0.00 C ATOM 1634 CG2 VAL B 29 0.590 10.490 5.345 1.00 0.00 C ATOM 0 H VAL B 29 0.965 8.610 7.674 1.00 0.00 H new ATOM 0 HA VAL B 29 -1.421 8.660 5.951 1.00 0.00 H new ATOM 0 HB VAL B 29 1.528 8.579 5.240 1.00 0.00 H new ATOM 0 HG11 VAL B 29 0.759 9.195 2.987 1.00 0.00 H new ATOM 0 HG12 VAL B 29 0.100 7.628 3.513 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -0.928 9.080 3.539 1.00 0.00 H new ATOM 0 HG21 VAL B 29 1.253 10.949 4.611 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -0.409 10.915 5.248 1.00 0.00 H new ATOM 0 HG23 VAL B 29 0.970 10.683 6.348 1.00 0.00 H new ATOM 1644 N THR B 30 -1.403 6.228 5.429 1.00 0.00 N ATOM 1645 CA THR B 30 -1.450 4.799 5.206 1.00 0.00 C ATOM 1646 C THR B 30 -1.615 4.522 3.712 1.00 0.00 C ATOM 1647 O THR B 30 -1.755 5.462 2.930 1.00 0.00 O ATOM 1648 CB THR B 30 -2.602 4.159 6.017 1.00 0.00 C ATOM 1649 OG1 THR B 30 -3.867 4.656 5.565 1.00 0.00 O ATOM 1650 CG2 THR B 30 -2.443 4.449 7.507 1.00 0.00 C ATOM 0 H THR B 30 -2.242 6.731 5.141 1.00 0.00 H new ATOM 0 HA THR B 30 -0.516 4.352 5.547 1.00 0.00 H new ATOM 0 HB THR B 30 -2.563 3.081 5.862 1.00 0.00 H new ATOM 0 HG1 THR B 30 -3.880 5.633 5.638 1.00 0.00 H new ATOM 0 HG21 THR B 30 -3.264 3.989 8.057 1.00 0.00 H new ATOM 0 HG22 THR B 30 -1.496 4.039 7.859 1.00 0.00 H new ATOM 0 HG23 THR B 30 -2.455 5.526 7.671 1.00 0.00 H new ATOM 1658 N PRO B 31 -1.593 3.245 3.278 1.00 0.00 N ATOM 1659 CA PRO B 31 -1.787 2.889 1.860 1.00 0.00 C ATOM 1660 C PRO B 31 -3.184 3.244 1.333 1.00 0.00 C ATOM 1661 O PRO B 31 -3.529 2.916 0.199 1.00 0.00 O ATOM 1662 CB PRO B 31 -1.582 1.369 1.836 1.00 0.00 C ATOM 1663 CG PRO B 31 -1.823 0.927 3.239 1.00 0.00 C ATOM 1664 CD PRO B 31 -1.343 2.053 4.108 1.00 0.00 C ATOM 0 HA PRO B 31 -1.100 3.441 1.218 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -2.275 0.888 1.146 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -0.575 1.111 1.508 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -2.880 0.724 3.409 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -1.283 0.006 3.458 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -1.889 2.096 5.050 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -0.287 1.949 4.356 1.00 0.00 H new ATOM 1672 N VAL B 32 -3.983 3.907 2.164 1.00 0.00 N ATOM 1673 CA VAL B 32 -5.316 4.346 1.772 1.00 0.00 C ATOM 1674 C VAL B 32 -5.374 5.879 1.790 1.00 0.00 C ATOM 1675 O VAL B 32 -6.444 6.482 1.809 1.00 0.00 O ATOM 1676 CB VAL B 32 -6.400 3.759 2.717 1.00 0.00 C ATOM 1677 CG1 VAL B 32 -7.788 3.871 2.096 1.00 0.00 C ATOM 1678 CG2 VAL B 32 -6.088 2.309 3.069 1.00 0.00 C ATOM 0 H VAL B 32 -3.726 4.153 3.120 1.00 0.00 H new ATOM 0 HA VAL B 32 -5.519 3.983 0.764 1.00 0.00 H new ATOM 0 HB VAL B 32 -6.391 4.345 3.636 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -8.527 3.452 2.779 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -8.019 4.920 1.909 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -7.811 3.321 1.155 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -6.862 1.921 3.732 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -6.058 1.712 2.158 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -5.121 2.256 3.570 1.00 0.00 H new ATOM 1688 N ASP B 33 -4.200 6.502 1.761 1.00 0.00 N ATOM 1689 CA ASP B 33 -4.097 7.958 1.813 1.00 0.00 C ATOM 1690 C ASP B 33 -3.215 8.466 0.686 1.00 0.00 C ATOM 1691 O ASP B 33 -2.082 8.015 0.530 1.00 0.00 O ATOM 1692 CB ASP B 33 -3.516 8.430 3.151 1.00 0.00 C ATOM 1693 CG ASP B 33 -4.416 8.131 4.329 1.00 0.00 C ATOM 1694 OD1 ASP B 33 -5.414 8.852 4.521 1.00 0.00 O ATOM 1695 OD2 ASP B 33 -4.122 7.174 5.077 1.00 0.00 O ATOM 0 H ASP B 33 -3.303 6.020 1.702 1.00 0.00 H new ATOM 0 HA ASP B 33 -5.105 8.360 1.705 1.00 0.00 H new ATOM 0 HB2 ASP B 33 -2.550 7.951 3.309 1.00 0.00 H new ATOM 0 HB3 ASP B 33 -3.336 9.504 3.103 1.00 0.00 H new ATOM 1700 N ASP B 34 -3.740 9.391 -0.106 1.00 0.00 N ATOM 1701 CA ASP B 34 -2.981 9.976 -1.208 1.00 0.00 C ATOM 1702 C ASP B 34 -1.800 10.778 -0.696 1.00 0.00 C ATOM 1703 O ASP B 34 -1.974 11.842 -0.105 1.00 0.00 O ATOM 1704 CB ASP B 34 -3.873 10.878 -2.068 1.00 0.00 C ATOM 1705 CG ASP B 34 -4.487 10.154 -3.247 1.00 0.00 C ATOM 1706 OD1 ASP B 34 -5.461 9.404 -3.051 1.00 0.00 O ATOM 1707 OD2 ASP B 34 -4.001 10.347 -4.380 1.00 0.00 O ATOM 0 H ASP B 34 -4.688 9.754 -0.008 1.00 0.00 H new ATOM 0 HA ASP B 34 -2.610 9.153 -1.818 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -4.669 11.290 -1.448 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -3.285 11.720 -2.432 1.00 0.00 H new ATOM 1712 N TYR B 35 -0.599 10.267 -0.918 1.00 0.00 N ATOM 1713 CA TYR B 35 0.603 10.990 -0.550 1.00 0.00 C ATOM 1714 C TYR B 35 1.627 10.910 -1.670 1.00 0.00 C ATOM 1715 O TYR B 35 1.677 9.934 -2.419 1.00 0.00 O ATOM 1716 CB TYR B 35 1.193 10.458 0.764 1.00 0.00 C ATOM 1717 CG TYR B 35 2.001 9.176 0.647 1.00 0.00 C ATOM 1718 CD1 TYR B 35 1.400 7.928 0.761 1.00 0.00 C ATOM 1719 CD2 TYR B 35 3.375 9.225 0.450 1.00 0.00 C ATOM 1720 CE1 TYR B 35 2.151 6.767 0.682 1.00 0.00 C ATOM 1721 CE2 TYR B 35 4.129 8.074 0.365 1.00 0.00 C ATOM 1722 CZ TYR B 35 3.515 6.847 0.485 1.00 0.00 C ATOM 1723 OH TYR B 35 4.271 5.698 0.403 1.00 0.00 O ATOM 0 H TYR B 35 -0.433 9.358 -1.350 1.00 0.00 H new ATOM 0 HA TYR B 35 0.336 12.035 -0.393 1.00 0.00 H new ATOM 0 HB2 TYR B 35 1.830 11.230 1.195 1.00 0.00 H new ATOM 0 HB3 TYR B 35 0.377 10.290 1.467 1.00 0.00 H new ATOM 0 HD1 TYR B 35 0.333 7.863 0.913 1.00 0.00 H new ATOM 0 HD2 TYR B 35 3.863 10.185 0.362 1.00 0.00 H new ATOM 0 HE1 TYR B 35 1.672 5.804 0.774 1.00 0.00 H new ATOM 0 HE2 TYR B 35 5.195 8.134 0.205 1.00 0.00 H new ATOM 0 HH TYR B 35 5.211 5.935 0.262 1.00 0.00 H new ATOM 1733 N VAL B 36 2.430 11.950 -1.785 1.00 0.00 N ATOM 1734 CA VAL B 36 3.477 12.005 -2.786 1.00 0.00 C ATOM 1735 C VAL B 36 4.780 12.417 -2.124 1.00 0.00 C ATOM 1736 O VAL B 36 4.781 13.229 -1.199 1.00 0.00 O ATOM 1737 CB VAL B 36 3.123 12.993 -3.924 1.00 0.00 C ATOM 1738 CG1 VAL B 36 4.272 13.144 -4.912 1.00 0.00 C ATOM 1739 CG2 VAL B 36 1.865 12.538 -4.642 1.00 0.00 C ATOM 0 H VAL B 36 2.375 12.777 -1.190 1.00 0.00 H new ATOM 0 HA VAL B 36 3.582 11.015 -3.230 1.00 0.00 H new ATOM 0 HB VAL B 36 2.943 13.969 -3.474 1.00 0.00 H new ATOM 0 HG11 VAL B 36 3.987 13.845 -5.697 1.00 0.00 H new ATOM 0 HG12 VAL B 36 5.153 13.520 -4.391 1.00 0.00 H new ATOM 0 HG13 VAL B 36 4.500 12.175 -5.356 1.00 0.00 H new ATOM 0 HG21 VAL B 36 1.627 13.241 -5.440 1.00 0.00 H new ATOM 0 HG22 VAL B 36 2.027 11.548 -5.068 1.00 0.00 H new ATOM 0 HG23 VAL B 36 1.037 12.498 -3.935 1.00 0.00 H new ATOM 1749 N ILE B 37 5.882 11.838 -2.569 1.00 0.00 N ATOM 1750 CA ILE B 37 7.175 12.158 -1.993 1.00 0.00 C ATOM 1751 C ILE B 37 7.952 13.092 -2.911 1.00 0.00 C ATOM 1752 O ILE B 37 8.305 12.721 -4.033 1.00 0.00 O ATOM 1753 CB ILE B 37 8.013 10.895 -1.715 1.00 0.00 C ATOM 1754 CG1 ILE B 37 7.221 9.906 -0.856 1.00 0.00 C ATOM 1755 CG2 ILE B 37 9.318 11.270 -1.027 1.00 0.00 C ATOM 1756 CD1 ILE B 37 8.013 8.679 -0.462 1.00 0.00 C ATOM 0 H ILE B 37 5.907 11.150 -3.321 1.00 0.00 H new ATOM 0 HA ILE B 37 6.986 12.654 -1.041 1.00 0.00 H new ATOM 0 HB ILE B 37 8.246 10.416 -2.666 1.00 0.00 H new ATOM 0 HG12 ILE B 37 6.879 10.413 0.046 1.00 0.00 H new ATOM 0 HG13 ILE B 37 6.331 9.594 -1.403 1.00 0.00 H new ATOM 0 HG21 ILE B 37 9.901 10.369 -0.836 1.00 0.00 H new ATOM 0 HG22 ILE B 37 9.888 11.941 -1.669 1.00 0.00 H new ATOM 0 HG23 ILE B 37 9.101 11.769 -0.082 1.00 0.00 H new ATOM 0 HD11 ILE B 37 7.389 8.023 0.145 1.00 0.00 H new ATOM 0 HD12 ILE B 37 8.332 8.148 -1.359 1.00 0.00 H new ATOM 0 HD13 ILE B 37 8.889 8.980 0.112 1.00 0.00 H new ATOM 1768 N ASP B 38 8.203 14.305 -2.439 1.00 0.00 N ATOM 1769 CA ASP B 38 8.946 15.284 -3.219 1.00 0.00 C ATOM 1770 C ASP B 38 10.421 15.234 -2.841 1.00 0.00 C ATOM 1771 O ASP B 38 10.864 15.892 -1.900 1.00 0.00 O ATOM 1772 CB ASP B 38 8.391 16.702 -3.012 1.00 0.00 C ATOM 1773 CG ASP B 38 9.144 17.751 -3.817 1.00 0.00 C ATOM 1774 OD1 ASP B 38 9.729 17.395 -4.857 1.00 0.00 O ATOM 1775 OD2 ASP B 38 9.158 18.933 -3.409 1.00 0.00 O ATOM 0 H ASP B 38 7.904 14.634 -1.521 1.00 0.00 H new ATOM 0 HA ASP B 38 8.835 15.034 -4.274 1.00 0.00 H new ATOM 0 HB2 ASP B 38 7.338 16.720 -3.294 1.00 0.00 H new ATOM 0 HB3 ASP B 38 8.442 16.957 -1.953 1.00 0.00 H new ATOM 1780 N GLY B 39 11.160 14.380 -3.536 1.00 0.00 N ATOM 1781 CA GLY B 39 12.597 14.296 -3.340 1.00 0.00 C ATOM 1782 C GLY B 39 13.001 13.425 -2.165 1.00 0.00 C ATOM 1783 O GLY B 39 14.088 12.855 -2.154 1.00 0.00 O ATOM 0 H GLY B 39 10.788 13.739 -4.237 1.00 0.00 H new ATOM 0 HA2 GLY B 39 13.056 13.903 -4.247 1.00 0.00 H new ATOM 0 HA3 GLY B 39 12.994 15.300 -3.190 1.00 0.00 H new ATOM 1787 N GLY B 40 12.125 13.309 -1.187 1.00 0.00 N ATOM 1788 CA GLY B 40 12.452 12.594 0.026 1.00 0.00 C ATOM 1789 C GLY B 40 11.540 13.009 1.153 1.00 0.00 C ATOM 1790 O GLY B 40 11.317 12.254 2.098 1.00 0.00 O ATOM 0 H GLY B 40 11.183 13.701 -1.210 1.00 0.00 H new ATOM 0 HA2 GLY B 40 12.363 11.521 -0.144 1.00 0.00 H new ATOM 0 HA3 GLY B 40 13.489 12.789 0.300 1.00 0.00 H new ATOM 1794 N GLU B 41 11.029 14.227 1.056 1.00 0.00 N ATOM 1795 CA GLU B 41 10.004 14.703 1.963 1.00 0.00 C ATOM 1796 C GLU B 41 8.646 14.194 1.510 1.00 0.00 C ATOM 1797 O GLU B 41 8.285 14.316 0.340 1.00 0.00 O ATOM 1798 CB GLU B 41 10.007 16.230 2.019 1.00 0.00 C ATOM 1799 CG GLU B 41 11.203 16.803 2.756 1.00 0.00 C ATOM 1800 CD GLU B 41 11.397 18.283 2.498 1.00 0.00 C ATOM 1801 OE1 GLU B 41 10.590 19.097 2.994 1.00 0.00 O ATOM 1802 OE2 GLU B 41 12.369 18.636 1.794 1.00 0.00 O ATOM 0 H GLU B 41 11.313 14.907 0.350 1.00 0.00 H new ATOM 0 HA GLU B 41 10.212 14.324 2.964 1.00 0.00 H new ATOM 0 HB2 GLU B 41 9.993 16.624 1.003 1.00 0.00 H new ATOM 0 HB3 GLU B 41 9.093 16.570 2.505 1.00 0.00 H new ATOM 0 HG2 GLU B 41 11.077 16.639 3.826 1.00 0.00 H new ATOM 0 HG3 GLU B 41 12.102 16.265 2.454 1.00 0.00 H new ATOM 1809 N ILE B 42 7.914 13.608 2.432 1.00 0.00 N ATOM 1810 CA ILE B 42 6.604 13.053 2.136 1.00 0.00 C ATOM 1811 C ILE B 42 5.531 14.091 2.424 1.00 0.00 C ATOM 1812 O ILE B 42 5.608 14.784 3.424 1.00 0.00 O ATOM 1813 CB ILE B 42 6.343 11.801 2.995 1.00 0.00 C ATOM 1814 CG1 ILE B 42 7.466 10.778 2.792 1.00 0.00 C ATOM 1815 CG2 ILE B 42 4.994 11.194 2.654 1.00 0.00 C ATOM 1816 CD1 ILE B 42 7.365 9.562 3.691 1.00 0.00 C ATOM 0 H ILE B 42 8.205 13.501 3.404 1.00 0.00 H new ATOM 0 HA ILE B 42 6.575 12.774 1.083 1.00 0.00 H new ATOM 0 HB ILE B 42 6.327 12.093 4.045 1.00 0.00 H new ATOM 0 HG12 ILE B 42 7.460 10.450 1.753 1.00 0.00 H new ATOM 0 HG13 ILE B 42 8.424 11.267 2.967 1.00 0.00 H new ATOM 0 HG21 ILE B 42 4.826 10.311 3.270 1.00 0.00 H new ATOM 0 HG22 ILE B 42 4.208 11.924 2.845 1.00 0.00 H new ATOM 0 HG23 ILE B 42 4.978 10.911 1.602 1.00 0.00 H new ATOM 0 HD11 ILE B 42 8.196 8.887 3.485 1.00 0.00 H new ATOM 0 HD12 ILE B 42 7.403 9.876 4.734 1.00 0.00 H new ATOM 0 HD13 ILE B 42 6.424 9.046 3.501 1.00 0.00 H new ATOM 1828 N ILE B 43 4.551 14.228 1.541 1.00 0.00 N ATOM 1829 CA ILE B 43 3.456 15.158 1.786 1.00 0.00 C ATOM 1830 C ILE B 43 2.121 14.516 1.422 1.00 0.00 C ATOM 1831 O ILE B 43 1.993 13.885 0.369 1.00 0.00 O ATOM 1832 CB ILE B 43 3.587 16.485 0.990 1.00 0.00 C ATOM 1833 CG1 ILE B 43 5.033 16.995 0.937 1.00 0.00 C ATOM 1834 CG2 ILE B 43 2.701 17.547 1.616 1.00 0.00 C ATOM 1835 CD1 ILE B 43 5.849 16.403 -0.196 1.00 0.00 C ATOM 0 H ILE B 43 4.491 13.716 0.661 1.00 0.00 H new ATOM 0 HA ILE B 43 3.502 15.394 2.849 1.00 0.00 H new ATOM 0 HB ILE B 43 3.272 16.281 -0.033 1.00 0.00 H new ATOM 0 HG12 ILE B 43 5.022 18.080 0.836 1.00 0.00 H new ATOM 0 HG13 ILE B 43 5.524 16.768 1.883 1.00 0.00 H new ATOM 0 HG21 ILE B 43 2.795 18.477 1.055 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.663 17.214 1.595 1.00 0.00 H new ATOM 0 HG23 ILE B 43 3.007 17.714 2.649 1.00 0.00 H new ATOM 0 HD11 ILE B 43 6.859 16.811 -0.168 1.00 0.00 H new ATOM 0 HD12 ILE B 43 5.892 15.319 -0.086 1.00 0.00 H new ATOM 0 HD13 ILE B 43 5.383 16.653 -1.149 1.00 0.00 H new ATOM 1847 N LEU B 44 1.135 14.661 2.303 1.00 0.00 N ATOM 1848 CA LEU B 44 -0.217 14.216 2.014 1.00 0.00 C ATOM 1849 C LEU B 44 -0.799 15.116 0.932 1.00 0.00 C ATOM 1850 O LEU B 44 -0.529 16.314 0.924 1.00 0.00 O ATOM 1851 CB LEU B 44 -1.076 14.279 3.283 1.00 0.00 C ATOM 1852 CG LEU B 44 -2.455 13.623 3.181 1.00 0.00 C ATOM 1853 CD1 LEU B 44 -2.323 12.113 3.050 1.00 0.00 C ATOM 1854 CD2 LEU B 44 -3.306 13.981 4.390 1.00 0.00 C ATOM 0 H LEU B 44 1.252 15.085 3.224 1.00 0.00 H new ATOM 0 HA LEU B 44 -0.204 13.183 1.666 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -0.527 13.804 4.096 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -1.211 15.325 3.558 1.00 0.00 H new ATOM 0 HG LEU B 44 -2.949 14.002 2.286 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -3.315 11.666 2.979 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -1.752 11.874 2.153 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -1.808 11.716 3.924 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.283 13.506 4.301 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -2.814 13.631 5.298 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.432 15.063 4.439 1.00 0.00 H new ATOM 1866 N ARG B 45 -1.599 14.555 0.031 1.00 0.00 N ATOM 1867 CA ARG B 45 -2.087 15.293 -1.136 1.00 0.00 C ATOM 1868 C ARG B 45 -2.846 16.561 -0.755 1.00 0.00 C ATOM 1869 O ARG B 45 -2.958 17.479 -1.566 1.00 0.00 O ATOM 1870 CB ARG B 45 -2.970 14.403 -2.015 1.00 0.00 C ATOM 1871 CG ARG B 45 -2.400 14.185 -3.408 1.00 0.00 C ATOM 1872 CD ARG B 45 -2.281 15.493 -4.177 1.00 0.00 C ATOM 1873 NE ARG B 45 -3.434 15.747 -5.038 1.00 0.00 N ATOM 1874 CZ ARG B 45 -4.122 16.888 -5.063 1.00 0.00 C ATOM 1875 NH1 ARG B 45 -3.899 17.832 -4.160 1.00 0.00 N ATOM 1876 NH2 ARG B 45 -5.064 17.062 -5.979 1.00 0.00 N ATOM 0 H ARG B 45 -1.925 13.590 0.084 1.00 0.00 H new ATOM 0 HA ARG B 45 -1.204 15.596 -1.699 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -3.101 13.437 -1.527 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -3.959 14.854 -2.100 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -1.418 13.717 -3.331 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -3.039 13.495 -3.959 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -2.171 16.316 -3.471 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -1.376 15.472 -4.785 1.00 0.00 H new ATOM 0 HE ARG B 45 -3.733 14.999 -5.663 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -3.195 17.689 -3.436 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -4.432 18.701 -4.189 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -5.258 16.326 -6.658 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -5.595 17.932 -6.005 1.00 0.00 H new ATOM 1890 N GLU B 46 -3.333 16.626 0.475 1.00 0.00 N ATOM 1891 CA GLU B 46 -4.097 17.784 0.925 1.00 0.00 C ATOM 1892 C GLU B 46 -3.176 18.985 1.152 1.00 0.00 C ATOM 1893 O GLU B 46 -3.577 20.134 0.980 1.00 0.00 O ATOM 1894 CB GLU B 46 -4.869 17.453 2.203 1.00 0.00 C ATOM 1895 CG GLU B 46 -5.721 18.603 2.714 1.00 0.00 C ATOM 1896 CD GLU B 46 -6.652 18.198 3.836 1.00 0.00 C ATOM 1897 OE1 GLU B 46 -6.249 18.285 5.012 1.00 0.00 O ATOM 1898 OE2 GLU B 46 -7.800 17.806 3.540 1.00 0.00 O ATOM 0 H GLU B 46 -3.215 15.896 1.177 1.00 0.00 H new ATOM 0 HA GLU B 46 -4.813 18.044 0.146 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -5.510 16.591 2.017 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -4.162 17.163 2.980 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -5.069 19.404 3.062 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -6.309 19.006 1.890 1.00 0.00 H new ATOM 1905 N ASN B 47 -1.935 18.706 1.520 1.00 0.00 N ATOM 1906 CA ASN B 47 -0.947 19.754 1.742 1.00 0.00 C ATOM 1907 C ASN B 47 0.064 19.762 0.597 1.00 0.00 C ATOM 1908 O ASN B 47 0.839 20.702 0.428 1.00 0.00 O ATOM 1909 CB ASN B 47 -0.240 19.522 3.085 1.00 0.00 C ATOM 1910 CG ASN B 47 0.714 20.642 3.463 1.00 0.00 C ATOM 1911 OD1 ASN B 47 0.508 21.802 3.108 1.00 0.00 O ATOM 1912 ND2 ASN B 47 1.758 20.302 4.203 1.00 0.00 N ATOM 0 H ASN B 47 -1.586 17.760 1.672 1.00 0.00 H new ATOM 0 HA ASN B 47 -1.445 20.723 1.772 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -0.990 19.413 3.868 1.00 0.00 H new ATOM 0 HB3 ASN B 47 0.312 18.583 3.040 1.00 0.00 H new ATOM 0 HD21 ASN B 47 2.426 21.013 4.499 1.00 0.00 H new ATOM 0 HD22 ASN B 47 1.894 19.329 4.477 1.00 0.00 H new ATOM 1919 N LEU B 48 0.027 18.703 -0.204 1.00 0.00 N ATOM 1920 CA LEU B 48 0.985 18.507 -1.285 1.00 0.00 C ATOM 1921 C LEU B 48 0.927 19.629 -2.305 1.00 0.00 C ATOM 1922 O LEU B 48 1.947 20.213 -2.629 1.00 0.00 O ATOM 1923 CB LEU B 48 0.738 17.177 -1.995 1.00 0.00 C ATOM 1924 CG LEU B 48 1.674 16.900 -3.173 1.00 0.00 C ATOM 1925 CD1 LEU B 48 3.075 16.573 -2.681 1.00 0.00 C ATOM 1926 CD2 LEU B 48 1.128 15.781 -4.037 1.00 0.00 C ATOM 0 H LEU B 48 -0.666 17.959 -0.123 1.00 0.00 H new ATOM 0 HA LEU B 48 1.975 18.503 -0.828 1.00 0.00 H new ATOM 0 HB2 LEU B 48 0.839 16.369 -1.270 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -0.291 17.157 -2.353 1.00 0.00 H new ATOM 0 HG LEU B 48 1.733 17.801 -3.784 1.00 0.00 H new ATOM 0 HD11 LEU B 48 3.724 16.379 -3.535 1.00 0.00 H new ATOM 0 HD12 LEU B 48 3.466 17.416 -2.111 1.00 0.00 H new ATOM 0 HD13 LEU B 48 3.040 15.689 -2.044 1.00 0.00 H new ATOM 0 HD21 LEU B 48 1.808 15.599 -4.869 1.00 0.00 H new ATOM 0 HD22 LEU B 48 1.034 14.874 -3.440 1.00 0.00 H new ATOM 0 HD23 LEU B 48 0.149 16.064 -4.424 1.00 0.00 H new ATOM 1938 N GLU B 49 -0.264 19.922 -2.806 1.00 0.00 N ATOM 1939 CA GLU B 49 -0.423 20.923 -3.858 1.00 0.00 C ATOM 1940 C GLU B 49 0.074 22.282 -3.373 1.00 0.00 C ATOM 1941 O GLU B 49 0.684 23.047 -4.124 1.00 0.00 O ATOM 1942 CB GLU B 49 -1.890 21.000 -4.289 1.00 0.00 C ATOM 1943 CG GLU B 49 -2.145 21.927 -5.468 1.00 0.00 C ATOM 1944 CD GLU B 49 -3.592 21.905 -5.916 1.00 0.00 C ATOM 1945 OE1 GLU B 49 -4.460 22.381 -5.158 1.00 0.00 O ATOM 1946 OE2 GLU B 49 -3.869 21.414 -7.030 1.00 0.00 O ATOM 0 H GLU B 49 -1.134 19.484 -2.504 1.00 0.00 H new ATOM 0 HA GLU B 49 0.175 20.631 -4.721 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -2.234 19.999 -4.547 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -2.489 21.334 -3.442 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -1.868 22.945 -5.193 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -1.505 21.636 -6.301 1.00 0.00 H new ATOM 1953 N ARG B 50 -0.180 22.560 -2.104 1.00 0.00 N ATOM 1954 CA ARG B 50 0.289 23.776 -1.462 1.00 0.00 C ATOM 1955 C ARG B 50 1.820 23.788 -1.404 1.00 0.00 C ATOM 1956 O ARG B 50 2.478 24.729 -1.876 1.00 0.00 O ATOM 1957 CB ARG B 50 -0.306 23.858 -0.053 1.00 0.00 C ATOM 1958 CG ARG B 50 -0.206 25.229 0.584 1.00 0.00 C ATOM 1959 CD ARG B 50 -0.841 26.286 -0.301 1.00 0.00 C ATOM 1960 NE ARG B 50 -1.012 27.560 0.387 1.00 0.00 N ATOM 1961 CZ ARG B 50 -0.020 28.394 0.686 1.00 0.00 C ATOM 1962 NH1 ARG B 50 1.232 28.078 0.385 1.00 0.00 N ATOM 1963 NH2 ARG B 50 -0.283 29.549 1.280 1.00 0.00 N ATOM 0 H ARG B 50 -0.718 21.948 -1.490 1.00 0.00 H new ATOM 0 HA ARG B 50 -0.033 24.643 -2.039 1.00 0.00 H new ATOM 0 HB2 ARG B 50 -1.355 23.565 -0.096 1.00 0.00 H new ATOM 0 HB3 ARG B 50 0.201 23.135 0.586 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -0.699 25.219 1.556 1.00 0.00 H new ATOM 0 HG3 ARG B 50 0.841 25.477 0.760 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -0.222 26.435 -1.186 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -1.811 25.930 -0.647 1.00 0.00 H new ATOM 0 HE ARG B 50 -1.958 27.830 0.658 1.00 0.00 H new ATOM 0 HH11 ARG B 50 1.437 27.192 -0.078 1.00 0.00 H new ATOM 0 HH12 ARG B 50 1.990 28.720 0.616 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -1.246 29.798 1.508 1.00 0.00 H new ATOM 0 HH22 ARG B 50 0.477 30.189 1.510 1.00 0.00 H new ATOM 1977 N TYR B 51 2.379 22.718 -0.851 1.00 0.00 N ATOM 1978 CA TYR B 51 3.822 22.581 -0.716 1.00 0.00 C ATOM 1979 C TYR B 51 4.507 22.629 -2.082 1.00 0.00 C ATOM 1980 O TYR B 51 5.585 23.195 -2.218 1.00 0.00 O ATOM 1981 CB TYR B 51 4.169 21.274 0.008 1.00 0.00 C ATOM 1982 CG TYR B 51 5.653 21.088 0.259 1.00 0.00 C ATOM 1983 CD1 TYR B 51 6.271 21.672 1.361 1.00 0.00 C ATOM 1984 CD2 TYR B 51 6.436 20.334 -0.606 1.00 0.00 C ATOM 1985 CE1 TYR B 51 7.626 21.510 1.587 1.00 0.00 C ATOM 1986 CE2 TYR B 51 7.790 20.171 -0.387 1.00 0.00 C ATOM 1987 CZ TYR B 51 8.380 20.759 0.711 1.00 0.00 C ATOM 1988 OH TYR B 51 9.730 20.602 0.926 1.00 0.00 O ATOM 0 H TYR B 51 1.848 21.927 -0.486 1.00 0.00 H new ATOM 0 HA TYR B 51 4.188 23.419 -0.123 1.00 0.00 H new ATOM 0 HB2 TYR B 51 3.643 21.247 0.962 1.00 0.00 H new ATOM 0 HB3 TYR B 51 3.802 20.434 -0.582 1.00 0.00 H new ATOM 0 HD1 TYR B 51 5.684 22.261 2.050 1.00 0.00 H new ATOM 0 HD2 TYR B 51 5.978 19.867 -1.465 1.00 0.00 H new ATOM 0 HE1 TYR B 51 8.091 21.970 2.446 1.00 0.00 H new ATOM 0 HE2 TYR B 51 8.384 19.585 -1.073 1.00 0.00 H new ATOM 0 HH TYR B 51 9.876 20.199 1.807 1.00 0.00 H new ATOM 1998 N LEU B 52 3.864 22.054 -3.089 1.00 0.00 N ATOM 1999 CA LEU B 52 4.417 22.023 -4.438 1.00 0.00 C ATOM 2000 C LEU B 52 4.554 23.427 -5.000 1.00 0.00 C ATOM 2001 O LEU B 52 5.605 23.790 -5.522 1.00 0.00 O ATOM 2002 CB LEU B 52 3.545 21.180 -5.374 1.00 0.00 C ATOM 2003 CG LEU B 52 3.557 19.676 -5.109 1.00 0.00 C ATOM 2004 CD1 LEU B 52 2.658 18.957 -6.102 1.00 0.00 C ATOM 2005 CD2 LEU B 52 4.974 19.132 -5.187 1.00 0.00 C ATOM 0 H LEU B 52 2.955 21.601 -2.997 1.00 0.00 H new ATOM 0 HA LEU B 52 5.405 21.567 -4.374 1.00 0.00 H new ATOM 0 HB2 LEU B 52 2.517 21.535 -5.302 1.00 0.00 H new ATOM 0 HB3 LEU B 52 3.871 21.353 -6.400 1.00 0.00 H new ATOM 0 HG LEU B 52 3.175 19.500 -4.103 1.00 0.00 H new ATOM 0 HD11 LEU B 52 2.677 17.886 -5.901 1.00 0.00 H new ATOM 0 HD12 LEU B 52 1.637 19.327 -6.003 1.00 0.00 H new ATOM 0 HD13 LEU B 52 3.014 19.142 -7.115 1.00 0.00 H new ATOM 0 HD21 LEU B 52 4.963 18.059 -4.995 1.00 0.00 H new ATOM 0 HD22 LEU B 52 5.381 19.319 -6.181 1.00 0.00 H new ATOM 0 HD23 LEU B 52 5.595 19.627 -4.441 1.00 0.00 H new ATOM 2017 N ARG B 53 3.504 24.229 -4.868 1.00 0.00 N ATOM 2018 CA ARG B 53 3.525 25.578 -5.419 1.00 0.00 C ATOM 2019 C ARG B 53 4.606 26.409 -4.738 1.00 0.00 C ATOM 2020 O ARG B 53 5.163 27.321 -5.342 1.00 0.00 O ATOM 2021 CB ARG B 53 2.158 26.274 -5.313 1.00 0.00 C ATOM 2022 CG ARG B 53 1.874 26.948 -3.975 1.00 0.00 C ATOM 2023 CD ARG B 53 0.682 27.885 -4.093 1.00 0.00 C ATOM 2024 NE ARG B 53 0.430 28.650 -2.871 1.00 0.00 N ATOM 2025 CZ ARG B 53 0.551 29.977 -2.787 1.00 0.00 C ATOM 2026 NH1 ARG B 53 1.033 30.668 -3.810 1.00 0.00 N ATOM 2027 NH2 ARG B 53 0.199 30.614 -1.674 1.00 0.00 N ATOM 0 H ARG B 53 2.639 23.974 -4.391 1.00 0.00 H new ATOM 0 HA ARG B 53 3.756 25.492 -6.481 1.00 0.00 H new ATOM 0 HB2 ARG B 53 2.088 27.024 -6.101 1.00 0.00 H new ATOM 0 HB3 ARG B 53 1.378 25.537 -5.503 1.00 0.00 H new ATOM 0 HG2 ARG B 53 1.676 26.192 -3.215 1.00 0.00 H new ATOM 0 HG3 ARG B 53 2.752 27.506 -3.649 1.00 0.00 H new ATOM 0 HD2 ARG B 53 0.851 28.576 -4.919 1.00 0.00 H new ATOM 0 HD3 ARG B 53 -0.206 27.304 -4.340 1.00 0.00 H new ATOM 0 HE ARG B 53 0.145 28.140 -2.035 1.00 0.00 H new ATOM 0 HH11 ARG B 53 1.313 30.186 -4.664 1.00 0.00 H new ATOM 0 HH12 ARG B 53 1.124 31.682 -3.743 1.00 0.00 H new ATOM 0 HH21 ARG B 53 -0.165 30.089 -0.879 1.00 0.00 H new ATOM 0 HH22 ARG B 53 0.293 31.628 -1.615 1.00 0.00 H new ATOM 2041 N GLU B 54 4.915 26.082 -3.486 1.00 0.00 N ATOM 2042 CA GLU B 54 5.978 26.784 -2.781 1.00 0.00 C ATOM 2043 C GLU B 54 7.356 26.156 -3.025 1.00 0.00 C ATOM 2044 O GLU B 54 8.353 26.874 -3.125 1.00 0.00 O ATOM 2045 CB GLU B 54 5.685 26.842 -1.282 1.00 0.00 C ATOM 2046 CG GLU B 54 4.387 27.562 -0.951 1.00 0.00 C ATOM 2047 CD GLU B 54 4.238 27.847 0.527 1.00 0.00 C ATOM 2048 OE1 GLU B 54 4.649 27.004 1.346 1.00 0.00 O ATOM 2049 OE2 GLU B 54 3.710 28.928 0.874 1.00 0.00 O ATOM 0 H GLU B 54 4.453 25.349 -2.948 1.00 0.00 H new ATOM 0 HA GLU B 54 6.006 27.797 -3.182 1.00 0.00 H new ATOM 0 HB2 GLU B 54 5.640 25.827 -0.888 1.00 0.00 H new ATOM 0 HB3 GLU B 54 6.510 27.344 -0.777 1.00 0.00 H new ATOM 0 HG2 GLU B 54 4.346 28.501 -1.504 1.00 0.00 H new ATOM 0 HG3 GLU B 54 3.545 26.957 -1.287 1.00 0.00 H new ATOM 2056 N GLN B 55 7.432 24.830 -3.121 1.00 0.00 N ATOM 2057 CA GLN B 55 8.729 24.167 -3.213 1.00 0.00 C ATOM 2058 C GLN B 55 9.060 23.713 -4.633 1.00 0.00 C ATOM 2059 O GLN B 55 9.941 24.294 -5.269 1.00 0.00 O ATOM 2060 CB GLN B 55 8.759 22.956 -2.278 1.00 0.00 C ATOM 2061 CG GLN B 55 10.080 22.199 -2.284 1.00 0.00 C ATOM 2062 CD GLN B 55 11.194 22.968 -1.611 1.00 0.00 C ATOM 2063 OE1 GLN B 55 11.882 23.768 -2.243 1.00 0.00 O ATOM 2064 NE2 GLN B 55 11.392 22.715 -0.331 1.00 0.00 N ATOM 0 H GLN B 55 6.627 24.204 -3.137 1.00 0.00 H new ATOM 0 HA GLN B 55 9.481 24.899 -2.918 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.548 23.290 -1.262 1.00 0.00 H new ATOM 0 HB3 GLN B 55 7.959 22.272 -2.561 1.00 0.00 H new ATOM 0 HG2 GLN B 55 9.948 21.242 -1.780 1.00 0.00 H new ATOM 0 HG3 GLN B 55 10.365 21.981 -3.313 1.00 0.00 H new ATOM 0 HE21 GLN B 55 10.797 22.043 0.154 1.00 0.00 H new ATOM 0 HE22 GLN B 55 12.140 23.191 0.173 1.00 0.00 H new ATOM 2073 N LEU B 56 8.315 22.716 -5.139 1.00 0.00 N ATOM 2074 CA LEU B 56 8.687 22.000 -6.378 1.00 0.00 C ATOM 2075 C LEU B 56 10.200 21.788 -6.447 1.00 0.00 C ATOM 2076 O LEU B 56 10.806 21.902 -7.514 1.00 0.00 O ATOM 2077 CB LEU B 56 8.218 22.759 -7.626 1.00 0.00 C ATOM 2078 CG LEU B 56 6.734 22.612 -7.971 1.00 0.00 C ATOM 2079 CD1 LEU B 56 6.397 23.415 -9.214 1.00 0.00 C ATOM 2080 CD2 LEU B 56 6.376 21.148 -8.176 1.00 0.00 C ATOM 0 H LEU B 56 7.450 22.385 -4.711 1.00 0.00 H new ATOM 0 HA LEU B 56 8.189 21.031 -6.354 1.00 0.00 H new ATOM 0 HB2 LEU B 56 8.438 23.818 -7.489 1.00 0.00 H new ATOM 0 HB3 LEU B 56 8.806 22.419 -8.478 1.00 0.00 H new ATOM 0 HG LEU B 56 6.148 22.998 -7.137 1.00 0.00 H new ATOM 0 HD11 LEU B 56 5.338 23.300 -9.446 1.00 0.00 H new ATOM 0 HD12 LEU B 56 6.617 24.468 -9.038 1.00 0.00 H new ATOM 0 HD13 LEU B 56 6.993 23.055 -10.052 1.00 0.00 H new ATOM 0 HD21 LEU B 56 5.317 21.063 -8.420 1.00 0.00 H new ATOM 0 HD22 LEU B 56 6.971 20.739 -8.993 1.00 0.00 H new ATOM 0 HD23 LEU B 56 6.583 20.591 -7.262 1.00 0.00 H new ATOM 2092 N GLY B 57 10.794 21.451 -5.311 1.00 0.00 N ATOM 2093 CA GLY B 57 12.235 21.497 -5.191 1.00 0.00 C ATOM 2094 C GLY B 57 12.901 20.140 -5.166 1.00 0.00 C ATOM 2095 O GLY B 57 14.118 20.061 -5.316 1.00 0.00 O ATOM 0 H GLY B 57 10.303 21.147 -4.471 1.00 0.00 H new ATOM 0 HA2 GLY B 57 12.639 22.072 -6.024 1.00 0.00 H new ATOM 0 HA3 GLY B 57 12.495 22.033 -4.278 1.00 0.00 H new ATOM 2099 N PHE B 58 12.120 19.074 -4.972 1.00 0.00 N ATOM 2100 CA PHE B 58 12.680 17.723 -4.895 1.00 0.00 C ATOM 2101 C PHE B 58 13.707 17.676 -3.769 1.00 0.00 C ATOM 2102 O PHE B 58 13.627 18.460 -2.818 1.00 0.00 O ATOM 2103 CB PHE B 58 13.336 17.336 -6.231 1.00 0.00 C ATOM 2104 CG PHE B 58 12.424 17.442 -7.425 1.00 0.00 C ATOM 2105 CD1 PHE B 58 12.112 18.679 -7.971 1.00 0.00 C ATOM 2106 CD2 PHE B 58 11.895 16.306 -8.011 1.00 0.00 C ATOM 2107 CE1 PHE B 58 11.288 18.777 -9.074 1.00 0.00 C ATOM 2108 CE2 PHE B 58 11.069 16.401 -9.115 1.00 0.00 C ATOM 2109 CZ PHE B 58 10.765 17.637 -9.645 1.00 0.00 C ATOM 0 H PHE B 58 11.107 19.119 -4.866 1.00 0.00 H new ATOM 0 HA PHE B 58 11.881 17.010 -4.691 1.00 0.00 H new ATOM 0 HB2 PHE B 58 14.204 17.975 -6.394 1.00 0.00 H new ATOM 0 HB3 PHE B 58 13.703 16.312 -6.159 1.00 0.00 H new ATOM 0 HD1 PHE B 58 12.519 19.576 -7.528 1.00 0.00 H new ATOM 0 HD2 PHE B 58 12.130 15.335 -7.601 1.00 0.00 H new ATOM 0 HE1 PHE B 58 11.053 19.746 -9.489 1.00 0.00 H new ATOM 0 HE2 PHE B 58 10.661 15.507 -9.563 1.00 0.00 H new ATOM 0 HZ PHE B 58 10.118 17.712 -10.506 1.00 0.00 H new ATOM 2119 N GLU B 59 14.662 16.760 -3.848 1.00 0.00 N ATOM 2120 CA GLU B 59 15.776 16.808 -2.923 1.00 0.00 C ATOM 2121 C GLU B 59 17.075 17.046 -3.674 1.00 0.00 C ATOM 2122 O GLU B 59 17.632 16.133 -4.285 1.00 0.00 O ATOM 2123 CB GLU B 59 15.877 15.524 -2.098 1.00 0.00 C ATOM 2124 CG GLU B 59 16.960 15.587 -1.032 1.00 0.00 C ATOM 2125 CD GLU B 59 17.080 14.312 -0.222 1.00 0.00 C ATOM 2126 OE1 GLU B 59 16.407 14.198 0.821 1.00 0.00 O ATOM 2127 OE2 GLU B 59 17.877 13.433 -0.602 1.00 0.00 O ATOM 0 H GLU B 59 14.687 15.997 -4.524 1.00 0.00 H new ATOM 0 HA GLU B 59 15.600 17.636 -2.237 1.00 0.00 H new ATOM 0 HB2 GLU B 59 14.916 15.328 -1.621 1.00 0.00 H new ATOM 0 HB3 GLU B 59 16.079 14.685 -2.764 1.00 0.00 H new ATOM 0 HG2 GLU B 59 17.917 15.798 -1.509 1.00 0.00 H new ATOM 0 HG3 GLU B 59 16.749 16.418 -0.359 1.00 0.00 H new ATOM 2134 N PHE B 60 17.551 18.280 -3.632 1.00 0.00 N ATOM 2135 CA PHE B 60 18.864 18.600 -4.154 1.00 0.00 C ATOM 2136 C PHE B 60 19.893 18.310 -3.079 1.00 0.00 C ATOM 2137 O PHE B 60 20.070 19.094 -2.144 1.00 0.00 O ATOM 2138 CB PHE B 60 18.948 20.063 -4.607 1.00 0.00 C ATOM 2139 CG PHE B 60 18.357 20.312 -5.967 1.00 0.00 C ATOM 2140 CD1 PHE B 60 16.988 20.267 -6.163 1.00 0.00 C ATOM 2141 CD2 PHE B 60 19.175 20.594 -7.050 1.00 0.00 C ATOM 2142 CE1 PHE B 60 16.445 20.495 -7.413 1.00 0.00 C ATOM 2143 CE2 PHE B 60 18.638 20.823 -8.303 1.00 0.00 C ATOM 2144 CZ PHE B 60 17.270 20.773 -8.484 1.00 0.00 C ATOM 0 H PHE B 60 17.045 19.075 -3.241 1.00 0.00 H new ATOM 0 HA PHE B 60 19.060 17.985 -5.032 1.00 0.00 H new ATOM 0 HB2 PHE B 60 18.434 20.689 -3.878 1.00 0.00 H new ATOM 0 HB3 PHE B 60 19.993 20.372 -4.613 1.00 0.00 H new ATOM 0 HD1 PHE B 60 16.336 20.051 -5.329 1.00 0.00 H new ATOM 0 HD2 PHE B 60 20.245 20.635 -6.913 1.00 0.00 H new ATOM 0 HE1 PHE B 60 15.375 20.456 -7.552 1.00 0.00 H new ATOM 0 HE2 PHE B 60 19.287 21.041 -9.138 1.00 0.00 H new ATOM 0 HZ PHE B 60 16.847 20.951 -9.461 1.00 0.00 H new ATOM 2154 N LYS B 61 20.537 17.166 -3.199 1.00 0.00 N ATOM 2155 CA LYS B 61 21.440 16.685 -2.176 1.00 0.00 C ATOM 2156 C LYS B 61 22.860 17.138 -2.477 1.00 0.00 C ATOM 2157 O LYS B 61 23.599 16.479 -3.212 1.00 0.00 O ATOM 2158 CB LYS B 61 21.356 15.161 -2.105 1.00 0.00 C ATOM 2159 CG LYS B 61 21.521 14.593 -0.708 1.00 0.00 C ATOM 2160 CD LYS B 61 20.489 15.164 0.253 1.00 0.00 C ATOM 2161 CE LYS B 61 20.312 14.275 1.468 1.00 0.00 C ATOM 2162 NZ LYS B 61 19.842 12.916 1.089 1.00 0.00 N ATOM 0 H LYS B 61 20.449 16.547 -4.005 1.00 0.00 H new ATOM 0 HA LYS B 61 21.153 17.098 -1.209 1.00 0.00 H new ATOM 0 HB2 LYS B 61 20.392 14.843 -2.503 1.00 0.00 H new ATOM 0 HB3 LYS B 61 22.124 14.736 -2.751 1.00 0.00 H new ATOM 0 HG2 LYS B 61 21.426 13.508 -0.742 1.00 0.00 H new ATOM 0 HG3 LYS B 61 22.523 14.814 -0.340 1.00 0.00 H new ATOM 0 HD2 LYS B 61 20.798 16.160 0.571 1.00 0.00 H new ATOM 0 HD3 LYS B 61 19.534 15.275 -0.260 1.00 0.00 H new ATOM 0 HE2 LYS B 61 21.258 14.197 2.003 1.00 0.00 H new ATOM 0 HE3 LYS B 61 19.596 14.731 2.152 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 19.354 12.480 1.897 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 19.186 12.987 0.285 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 20.657 12.329 0.819 1.00 0.00 H new ATOM 2176 N ASN B 62 23.214 18.286 -1.931 1.00 0.00 N ATOM 2177 CA ASN B 62 24.527 18.866 -2.140 1.00 0.00 C ATOM 2178 C ASN B 62 25.479 18.394 -1.051 1.00 0.00 C ATOM 2179 O ASN B 62 25.171 18.485 0.138 1.00 0.00 O ATOM 2180 CB ASN B 62 24.425 20.398 -2.172 1.00 0.00 C ATOM 2181 CG ASN B 62 25.767 21.099 -2.067 1.00 0.00 C ATOM 2182 OD1 ASN B 62 26.167 21.531 -0.991 1.00 0.00 O ATOM 2183 ND2 ASN B 62 26.483 21.196 -3.174 1.00 0.00 N ATOM 0 H ASN B 62 22.602 18.841 -1.332 1.00 0.00 H new ATOM 0 HA ASN B 62 24.923 18.537 -3.101 1.00 0.00 H new ATOM 0 HB2 ASN B 62 23.937 20.702 -3.098 1.00 0.00 H new ATOM 0 HB3 ASN B 62 23.787 20.728 -1.352 1.00 0.00 H new ATOM 0 HD21 ASN B 62 27.400 21.642 -3.151 1.00 0.00 H new ATOM 0 HD22 ASN B 62 26.118 20.825 -4.051 1.00 0.00 H new ATOM 2190 N ALA B 63 26.628 17.882 -1.465 1.00 0.00 N ATOM 2191 CA ALA B 63 27.596 17.310 -0.538 1.00 0.00 C ATOM 2192 C ALA B 63 28.301 18.394 0.267 1.00 0.00 C ATOM 2193 O ALA B 63 28.990 18.103 1.246 1.00 0.00 O ATOM 2194 CB ALA B 63 28.612 16.473 -1.297 1.00 0.00 C ATOM 0 H ALA B 63 26.915 17.850 -2.443 1.00 0.00 H new ATOM 0 HA ALA B 63 27.057 16.672 0.162 1.00 0.00 H new ATOM 0 HB1 ALA B 63 29.331 16.050 -0.596 1.00 0.00 H new ATOM 0 HB2 ALA B 63 28.100 15.667 -1.822 1.00 0.00 H new ATOM 0 HB3 ALA B 63 29.135 17.101 -2.018 1.00 0.00 H new ATOM 2200 N GLN B 64 28.102 19.639 -0.152 1.00 0.00 N ATOM 2201 CA GLN B 64 28.782 20.792 0.425 1.00 0.00 C ATOM 2202 C GLN B 64 30.289 20.584 0.387 1.00 0.00 C ATOM 2203 O GLN B 64 30.920 20.212 1.381 1.00 0.00 O ATOM 2204 CB GLN B 64 28.292 21.086 1.846 1.00 0.00 C ATOM 2205 CG GLN B 64 28.830 22.389 2.411 1.00 0.00 C ATOM 2206 CD GLN B 64 27.960 22.943 3.519 1.00 0.00 C ATOM 2207 OE1 GLN B 64 28.150 22.635 4.697 1.00 0.00 O ATOM 2208 NE2 GLN B 64 26.992 23.764 3.143 1.00 0.00 N ATOM 0 H GLN B 64 27.459 19.878 -0.907 1.00 0.00 H new ATOM 0 HA GLN B 64 28.540 21.667 -0.178 1.00 0.00 H new ATOM 0 HB2 GLN B 64 27.203 21.120 1.847 1.00 0.00 H new ATOM 0 HB3 GLN B 64 28.586 20.266 2.501 1.00 0.00 H new ATOM 0 HG2 GLN B 64 29.839 22.227 2.792 1.00 0.00 H new ATOM 0 HG3 GLN B 64 28.906 23.125 1.610 1.00 0.00 H new ATOM 0 HE21 GLN B 64 26.871 23.992 2.156 1.00 0.00 H new ATOM 0 HE22 GLN B 64 26.367 24.169 3.840 1.00 0.00 H new ATOM 2217 N LEU B 65 30.846 20.799 -0.788 1.00 0.00 N ATOM 2218 CA LEU B 65 32.247 20.537 -1.041 1.00 0.00 C ATOM 2219 C LEU B 65 32.697 21.393 -2.212 1.00 0.00 C ATOM 2220 O LEU B 65 31.890 21.718 -3.087 1.00 0.00 O ATOM 2221 CB LEU B 65 32.445 19.053 -1.370 1.00 0.00 C ATOM 2222 CG LEU B 65 33.897 18.592 -1.493 1.00 0.00 C ATOM 2223 CD1 LEU B 65 34.540 18.476 -0.119 1.00 0.00 C ATOM 2224 CD2 LEU B 65 33.969 17.270 -2.241 1.00 0.00 C ATOM 0 H LEU B 65 30.338 21.161 -1.595 1.00 0.00 H new ATOM 0 HA LEU B 65 32.838 20.780 -0.158 1.00 0.00 H new ATOM 0 HB2 LEU B 65 31.959 18.460 -0.596 1.00 0.00 H new ATOM 0 HB3 LEU B 65 31.933 18.836 -2.307 1.00 0.00 H new ATOM 0 HG LEU B 65 34.453 19.337 -2.062 1.00 0.00 H new ATOM 0 HD11 LEU B 65 35.573 18.147 -0.228 1.00 0.00 H new ATOM 0 HD12 LEU B 65 34.519 19.447 0.376 1.00 0.00 H new ATOM 0 HD13 LEU B 65 33.989 17.751 0.480 1.00 0.00 H new ATOM 0 HD21 LEU B 65 35.009 16.954 -2.321 1.00 0.00 H new ATOM 0 HD22 LEU B 65 33.400 16.514 -1.699 1.00 0.00 H new ATOM 0 HD23 LEU B 65 33.549 17.393 -3.239 1.00 0.00 H new