USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=9 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 75:sc= 0.309 USER MOD Set 1.2: B 55 GLN : amide:sc=-0.000463 X(o=0.31,f=0.31) USER MOD Set 2.1: A 21 GLN : amide:sc= -0.575 X(o=-0.6,f=-0.31) USER MOD Set 2.2: A 35 TYR OH : rot 180:sc= -0.0262 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -51:sc= 0.709 USER MOD Single : A 47 ASN : amide:sc= 0.0116 K(o=0.012,f=-0.73) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 1.11 K(o=1.1,f=-0.25) USER MOD Single : A 61 LYS NZ :NH3+ -155:sc= 0.137 (180deg=-0.523) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 21 GLN : amide:sc= -1.63! K(o=-1.6!,f=-0.34) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 THR OG1 : rot -66:sc= -0.0463 USER MOD Single : B 35 TYR OH : rot 180:sc= -0.994 USER MOD Single : B 47 ASN : amide:sc= -0.102 K(o=-0.1,f=-1) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 ASN : amide:sc= 0.903 K(o=0.9,f=-3.8!) USER MOD Single : B 64 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 297 N ASP A 19 25.964 3.335 4.549 1.00 0.00 N ATOM 298 CA ASP A 19 25.452 4.473 3.803 1.00 0.00 C ATOM 299 C ASP A 19 25.923 4.393 2.363 1.00 0.00 C ATOM 300 O ASP A 19 26.763 5.174 1.910 1.00 0.00 O ATOM 301 CB ASP A 19 25.902 5.788 4.455 1.00 0.00 C ATOM 302 CG ASP A 19 25.279 7.017 3.817 1.00 0.00 C ATOM 303 OD1 ASP A 19 24.051 7.208 3.950 1.00 0.00 O ATOM 304 OD2 ASP A 19 26.021 7.813 3.205 1.00 0.00 O ATOM 0 HA ASP A 19 24.362 4.449 3.816 1.00 0.00 H new ATOM 0 HB2 ASP A 19 25.645 5.767 5.514 1.00 0.00 H new ATOM 0 HB3 ASP A 19 26.987 5.865 4.391 1.00 0.00 H new ATOM 309 N VAL A 20 25.422 3.390 1.667 1.00 0.00 N ATOM 310 CA VAL A 20 25.731 3.210 0.256 1.00 0.00 C ATOM 311 C VAL A 20 24.462 3.328 -0.573 1.00 0.00 C ATOM 312 O VAL A 20 23.437 2.724 -0.250 1.00 0.00 O ATOM 313 CB VAL A 20 26.402 1.851 -0.027 1.00 0.00 C ATOM 314 CG1 VAL A 20 26.829 1.761 -1.486 1.00 0.00 C ATOM 315 CG2 VAL A 20 27.593 1.641 0.890 1.00 0.00 C ATOM 0 H VAL A 20 24.797 2.684 2.055 1.00 0.00 H new ATOM 0 HA VAL A 20 26.436 3.994 -0.021 1.00 0.00 H new ATOM 0 HB VAL A 20 25.676 1.062 0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 20 27.301 0.795 -1.668 1.00 0.00 H new ATOM 0 HG12 VAL A 20 25.954 1.864 -2.128 1.00 0.00 H new ATOM 0 HG13 VAL A 20 27.538 2.559 -1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 20 28.053 0.676 0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 20 28.322 2.435 0.727 1.00 0.00 H new ATOM 0 HG23 VAL A 20 27.261 1.661 1.928 1.00 0.00 H new ATOM 325 N GLN A 21 24.538 4.112 -1.636 1.00 0.00 N ATOM 326 CA GLN A 21 23.385 4.399 -2.470 1.00 0.00 C ATOM 327 C GLN A 21 23.798 4.458 -3.934 1.00 0.00 C ATOM 328 O GLN A 21 24.973 4.642 -4.243 1.00 0.00 O ATOM 329 CB GLN A 21 22.759 5.727 -2.035 1.00 0.00 C ATOM 330 CG GLN A 21 23.776 6.845 -1.886 1.00 0.00 C ATOM 331 CD GLN A 21 23.203 8.095 -1.253 1.00 0.00 C ATOM 332 OE1 GLN A 21 23.199 8.241 -0.035 1.00 0.00 O ATOM 333 NE2 GLN A 21 22.736 9.015 -2.076 1.00 0.00 N ATOM 0 H GLN A 21 25.398 4.566 -1.943 1.00 0.00 H new ATOM 0 HA GLN A 21 22.648 3.604 -2.354 1.00 0.00 H new ATOM 0 HB2 GLN A 21 22.006 6.024 -2.766 1.00 0.00 H new ATOM 0 HB3 GLN A 21 22.243 5.585 -1.086 1.00 0.00 H new ATOM 0 HG2 GLN A 21 24.610 6.490 -1.281 1.00 0.00 H new ATOM 0 HG3 GLN A 21 24.178 7.095 -2.868 1.00 0.00 H new ATOM 0 HE21 GLN A 21 22.757 8.856 -3.083 1.00 0.00 H new ATOM 0 HE22 GLN A 21 22.354 9.885 -1.705 1.00 0.00 H new ATOM 342 N ILE A 22 22.841 4.291 -4.832 1.00 0.00 N ATOM 343 CA ILE A 22 23.124 4.345 -6.262 1.00 0.00 C ATOM 344 C ILE A 22 22.102 5.225 -6.973 1.00 0.00 C ATOM 345 O ILE A 22 20.957 5.333 -6.534 1.00 0.00 O ATOM 346 CB ILE A 22 23.118 2.940 -6.910 1.00 0.00 C ATOM 347 CG1 ILE A 22 24.101 2.010 -6.200 1.00 0.00 C ATOM 348 CG2 ILE A 22 23.477 3.026 -8.385 1.00 0.00 C ATOM 349 CD1 ILE A 22 24.229 0.656 -6.864 1.00 0.00 C ATOM 0 H ILE A 22 21.863 4.117 -4.600 1.00 0.00 H new ATOM 0 HA ILE A 22 24.123 4.768 -6.371 1.00 0.00 H new ATOM 0 HB ILE A 22 22.111 2.534 -6.811 1.00 0.00 H new ATOM 0 HG12 ILE A 22 25.081 2.485 -6.167 1.00 0.00 H new ATOM 0 HG13 ILE A 22 23.779 1.872 -5.168 1.00 0.00 H new ATOM 0 HG21 ILE A 22 23.467 2.027 -8.821 1.00 0.00 H new ATOM 0 HG22 ILE A 22 22.750 3.654 -8.900 1.00 0.00 H new ATOM 0 HG23 ILE A 22 24.472 3.459 -8.493 1.00 0.00 H new ATOM 0 HD11 ILE A 22 24.942 0.045 -6.310 1.00 0.00 H new ATOM 0 HD12 ILE A 22 23.258 0.162 -6.873 1.00 0.00 H new ATOM 0 HD13 ILE A 22 24.580 0.785 -7.888 1.00 0.00 H new ATOM 361 N ASP A 23 22.530 5.869 -8.057 1.00 0.00 N ATOM 362 CA ASP A 23 21.651 6.691 -8.861 1.00 0.00 C ATOM 363 C ASP A 23 20.788 5.819 -9.779 1.00 0.00 C ATOM 364 O ASP A 23 20.778 4.590 -9.668 1.00 0.00 O ATOM 365 CB ASP A 23 22.479 7.672 -9.698 1.00 0.00 C ATOM 366 CG ASP A 23 23.130 7.012 -10.896 1.00 0.00 C ATOM 367 OD1 ASP A 23 23.927 6.067 -10.707 1.00 0.00 O ATOM 368 OD2 ASP A 23 22.832 7.442 -12.031 1.00 0.00 O ATOM 0 H ASP A 23 23.492 5.831 -8.395 1.00 0.00 H new ATOM 0 HA ASP A 23 20.993 7.251 -8.197 1.00 0.00 H new ATOM 0 HB2 ASP A 23 21.837 8.484 -10.040 1.00 0.00 H new ATOM 0 HB3 ASP A 23 23.250 8.118 -9.070 1.00 0.00 H new ATOM 373 N PHE A 24 20.076 6.463 -10.689 1.00 0.00 N ATOM 374 CA PHE A 24 19.161 5.779 -11.588 1.00 0.00 C ATOM 375 C PHE A 24 19.912 4.971 -12.646 1.00 0.00 C ATOM 376 O PHE A 24 19.406 3.962 -13.136 1.00 0.00 O ATOM 377 CB PHE A 24 18.241 6.804 -12.260 1.00 0.00 C ATOM 378 CG PHE A 24 17.238 6.200 -13.203 1.00 0.00 C ATOM 379 CD1 PHE A 24 16.096 5.585 -12.718 1.00 0.00 C ATOM 380 CD2 PHE A 24 17.440 6.244 -14.574 1.00 0.00 C ATOM 381 CE1 PHE A 24 15.175 5.028 -13.581 1.00 0.00 C ATOM 382 CE2 PHE A 24 16.523 5.687 -15.443 1.00 0.00 C ATOM 383 CZ PHE A 24 15.389 5.077 -14.946 1.00 0.00 C ATOM 0 H PHE A 24 20.116 7.473 -10.825 1.00 0.00 H new ATOM 0 HA PHE A 24 18.565 5.080 -11.001 1.00 0.00 H new ATOM 0 HB2 PHE A 24 17.709 7.361 -11.488 1.00 0.00 H new ATOM 0 HB3 PHE A 24 18.852 7.522 -12.807 1.00 0.00 H new ATOM 0 HD1 PHE A 24 15.924 5.541 -11.653 1.00 0.00 H new ATOM 0 HD2 PHE A 24 18.326 6.720 -14.967 1.00 0.00 H new ATOM 0 HE1 PHE A 24 14.287 4.554 -13.190 1.00 0.00 H new ATOM 0 HE2 PHE A 24 16.693 5.729 -16.509 1.00 0.00 H new ATOM 0 HZ PHE A 24 14.670 4.639 -15.622 1.00 0.00 H new ATOM 393 N TYR A 25 21.117 5.405 -12.988 1.00 0.00 N ATOM 394 CA TYR A 25 21.871 4.778 -14.067 1.00 0.00 C ATOM 395 C TYR A 25 22.680 3.582 -13.572 1.00 0.00 C ATOM 396 O TYR A 25 23.258 2.847 -14.371 1.00 0.00 O ATOM 397 CB TYR A 25 22.774 5.807 -14.749 1.00 0.00 C ATOM 398 CG TYR A 25 22.021 6.761 -15.655 1.00 0.00 C ATOM 399 CD1 TYR A 25 20.980 7.547 -15.169 1.00 0.00 C ATOM 400 CD2 TYR A 25 22.340 6.863 -17.002 1.00 0.00 C ATOM 401 CE1 TYR A 25 20.286 8.407 -15.999 1.00 0.00 C ATOM 402 CE2 TYR A 25 21.651 7.721 -17.836 1.00 0.00 C ATOM 403 CZ TYR A 25 20.625 8.489 -17.331 1.00 0.00 C ATOM 404 OH TYR A 25 19.934 9.346 -18.164 1.00 0.00 O ATOM 0 H TYR A 25 21.593 6.186 -12.536 1.00 0.00 H new ATOM 0 HA TYR A 25 21.157 4.400 -14.799 1.00 0.00 H new ATOM 0 HB2 TYR A 25 23.300 6.381 -13.986 1.00 0.00 H new ATOM 0 HB3 TYR A 25 23.532 5.284 -15.333 1.00 0.00 H new ATOM 0 HD1 TYR A 25 20.710 7.484 -14.125 1.00 0.00 H new ATOM 0 HD2 TYR A 25 23.141 6.261 -17.405 1.00 0.00 H new ATOM 0 HE1 TYR A 25 19.482 9.011 -15.605 1.00 0.00 H new ATOM 0 HE2 TYR A 25 21.916 7.790 -18.881 1.00 0.00 H new ATOM 0 HH TYR A 25 20.298 9.285 -19.072 1.00 0.00 H new ATOM 414 N GLY A 26 22.723 3.389 -12.260 1.00 0.00 N ATOM 415 CA GLY A 26 23.331 2.195 -11.715 1.00 0.00 C ATOM 416 C GLY A 26 24.841 2.270 -11.657 1.00 0.00 C ATOM 417 O GLY A 26 25.527 1.290 -11.950 1.00 0.00 O ATOM 0 H GLY A 26 22.348 4.037 -11.567 1.00 0.00 H new ATOM 0 HA2 GLY A 26 22.943 2.023 -10.711 1.00 0.00 H new ATOM 0 HA3 GLY A 26 23.039 1.337 -12.321 1.00 0.00 H new ATOM 421 N ASP A 27 25.366 3.433 -11.298 1.00 0.00 N ATOM 422 CA ASP A 27 26.802 3.581 -11.099 1.00 0.00 C ATOM 423 C ASP A 27 27.123 3.416 -9.616 1.00 0.00 C ATOM 424 O ASP A 27 27.364 2.301 -9.147 1.00 0.00 O ATOM 425 CB ASP A 27 27.286 4.942 -11.612 1.00 0.00 C ATOM 426 CG ASP A 27 28.797 5.064 -11.616 1.00 0.00 C ATOM 427 OD1 ASP A 27 29.366 5.497 -10.595 1.00 0.00 O ATOM 428 OD2 ASP A 27 29.420 4.740 -12.648 1.00 0.00 O ATOM 0 H ASP A 27 24.824 4.283 -11.139 1.00 0.00 H new ATOM 0 HA ASP A 27 27.324 2.811 -11.667 1.00 0.00 H new ATOM 0 HB2 ASP A 27 26.911 5.099 -12.623 1.00 0.00 H new ATOM 0 HB3 ASP A 27 26.864 5.731 -10.990 1.00 0.00 H new ATOM 433 N GLU A 28 27.098 4.527 -8.889 1.00 0.00 N ATOM 434 CA GLU A 28 27.202 4.530 -7.432 1.00 0.00 C ATOM 435 C GLU A 28 27.225 5.964 -6.935 1.00 0.00 C ATOM 436 O GLU A 28 27.822 6.840 -7.564 1.00 0.00 O ATOM 437 CB GLU A 28 28.453 3.804 -6.926 1.00 0.00 C ATOM 438 CG GLU A 28 28.367 3.434 -5.454 1.00 0.00 C ATOM 439 CD GLU A 28 29.559 2.633 -4.980 1.00 0.00 C ATOM 440 OE1 GLU A 28 29.526 1.389 -5.104 1.00 0.00 O ATOM 441 OE2 GLU A 28 30.527 3.239 -4.479 1.00 0.00 O ATOM 0 H GLU A 28 27.004 5.458 -9.295 1.00 0.00 H new ATOM 0 HA GLU A 28 26.335 3.995 -7.044 1.00 0.00 H new ATOM 0 HB2 GLU A 28 28.605 2.899 -7.515 1.00 0.00 H new ATOM 0 HB3 GLU A 28 29.325 4.438 -7.086 1.00 0.00 H new ATOM 0 HG2 GLU A 28 28.287 4.344 -4.859 1.00 0.00 H new ATOM 0 HG3 GLU A 28 27.457 2.859 -5.281 1.00 0.00 H new ATOM 448 N VAL A 29 26.574 6.200 -5.815 1.00 0.00 N ATOM 449 CA VAL A 29 26.513 7.527 -5.240 1.00 0.00 C ATOM 450 C VAL A 29 27.071 7.522 -3.826 1.00 0.00 C ATOM 451 O VAL A 29 26.605 6.780 -2.964 1.00 0.00 O ATOM 452 CB VAL A 29 25.070 8.066 -5.212 1.00 0.00 C ATOM 453 CG1 VAL A 29 25.027 9.450 -4.595 1.00 0.00 C ATOM 454 CG2 VAL A 29 24.483 8.096 -6.611 1.00 0.00 C ATOM 0 H VAL A 29 26.077 5.486 -5.283 1.00 0.00 H new ATOM 0 HA VAL A 29 27.117 8.180 -5.871 1.00 0.00 H new ATOM 0 HB VAL A 29 24.470 7.395 -4.598 1.00 0.00 H new ATOM 0 HG11 VAL A 29 23.999 9.812 -4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 29 25.406 9.405 -3.574 1.00 0.00 H new ATOM 0 HG13 VAL A 29 25.645 10.129 -5.182 1.00 0.00 H new ATOM 0 HG21 VAL A 29 23.464 8.480 -6.570 1.00 0.00 H new ATOM 0 HG22 VAL A 29 25.089 8.743 -7.246 1.00 0.00 H new ATOM 0 HG23 VAL A 29 24.475 7.087 -7.024 1.00 0.00 H new ATOM 464 N THR A 30 28.092 8.325 -3.609 1.00 0.00 N ATOM 465 CA THR A 30 28.643 8.517 -2.287 1.00 0.00 C ATOM 466 C THR A 30 28.476 9.988 -1.897 1.00 0.00 C ATOM 467 O THR A 30 28.211 10.823 -2.760 1.00 0.00 O ATOM 468 CB THR A 30 30.131 8.097 -2.241 1.00 0.00 C ATOM 469 OG1 THR A 30 30.895 8.867 -3.176 1.00 0.00 O ATOM 470 CG2 THR A 30 30.283 6.615 -2.564 1.00 0.00 C ATOM 0 H THR A 30 28.560 8.860 -4.341 1.00 0.00 H new ATOM 0 HA THR A 30 28.110 7.888 -1.574 1.00 0.00 H new ATOM 0 HB THR A 30 30.502 8.281 -1.233 1.00 0.00 H new ATOM 0 HG1 THR A 30 30.469 8.828 -4.058 1.00 0.00 H new ATOM 0 HG21 THR A 30 31.337 6.341 -2.526 1.00 0.00 H new ATOM 0 HG22 THR A 30 29.728 6.025 -1.835 1.00 0.00 H new ATOM 0 HG23 THR A 30 29.893 6.418 -3.562 1.00 0.00 H new ATOM 478 N PRO A 31 28.591 10.323 -0.604 1.00 0.00 N ATOM 479 CA PRO A 31 28.428 11.709 -0.116 1.00 0.00 C ATOM 480 C PRO A 31 29.375 12.720 -0.768 1.00 0.00 C ATOM 481 O PRO A 31 29.206 13.927 -0.599 1.00 0.00 O ATOM 482 CB PRO A 31 28.723 11.601 1.382 1.00 0.00 C ATOM 483 CG PRO A 31 28.482 10.170 1.723 1.00 0.00 C ATOM 484 CD PRO A 31 28.835 9.378 0.496 1.00 0.00 C ATOM 0 HA PRO A 31 27.433 12.084 -0.356 1.00 0.00 H new ATOM 0 HB2 PRO A 31 29.750 11.891 1.604 1.00 0.00 H new ATOM 0 HB3 PRO A 31 28.074 12.259 1.960 1.00 0.00 H new ATOM 0 HG2 PRO A 31 29.093 9.864 2.572 1.00 0.00 H new ATOM 0 HG3 PRO A 31 27.442 10.007 2.005 1.00 0.00 H new ATOM 0 HD2 PRO A 31 29.873 9.046 0.517 1.00 0.00 H new ATOM 0 HD3 PRO A 31 28.217 8.485 0.403 1.00 0.00 H new ATOM 492 N VAL A 32 30.367 12.241 -1.504 1.00 0.00 N ATOM 493 CA VAL A 32 31.279 13.136 -2.202 1.00 0.00 C ATOM 494 C VAL A 32 30.847 13.325 -3.656 1.00 0.00 C ATOM 495 O VAL A 32 31.511 14.013 -4.430 1.00 0.00 O ATOM 496 CB VAL A 32 32.738 12.636 -2.148 1.00 0.00 C ATOM 497 CG1 VAL A 32 33.234 12.596 -0.710 1.00 0.00 C ATOM 498 CG2 VAL A 32 32.869 11.270 -2.799 1.00 0.00 C ATOM 0 H VAL A 32 30.560 11.248 -1.633 1.00 0.00 H new ATOM 0 HA VAL A 32 31.236 14.096 -1.687 1.00 0.00 H new ATOM 0 HB VAL A 32 33.358 13.336 -2.708 1.00 0.00 H new ATOM 0 HG11 VAL A 32 34.264 12.241 -0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 32 33.187 13.597 -0.281 1.00 0.00 H new ATOM 0 HG13 VAL A 32 32.607 11.921 -0.127 1.00 0.00 H new ATOM 0 HG21 VAL A 32 33.907 10.940 -2.748 1.00 0.00 H new ATOM 0 HG22 VAL A 32 32.235 10.555 -2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 32 32.560 11.333 -3.842 1.00 0.00 H new ATOM 508 N ASP A 33 29.728 12.706 -4.017 1.00 0.00 N ATOM 509 CA ASP A 33 29.153 12.859 -5.348 1.00 0.00 C ATOM 510 C ASP A 33 28.014 13.864 -5.307 1.00 0.00 C ATOM 511 O ASP A 33 27.235 13.887 -4.355 1.00 0.00 O ATOM 512 CB ASP A 33 28.608 11.526 -5.888 1.00 0.00 C ATOM 513 CG ASP A 33 29.678 10.489 -6.154 1.00 0.00 C ATOM 514 OD1 ASP A 33 30.415 10.626 -7.153 1.00 0.00 O ATOM 515 OD2 ASP A 33 29.763 9.505 -5.389 1.00 0.00 O ATOM 0 H ASP A 33 29.198 12.089 -3.401 1.00 0.00 H new ATOM 0 HA ASP A 33 29.948 13.207 -6.008 1.00 0.00 H new ATOM 0 HB2 ASP A 33 27.893 11.121 -5.172 1.00 0.00 H new ATOM 0 HB3 ASP A 33 28.062 11.716 -6.812 1.00 0.00 H new ATOM 520 N ASP A 34 27.919 14.694 -6.331 1.00 0.00 N ATOM 521 CA ASP A 34 26.818 15.640 -6.435 1.00 0.00 C ATOM 522 C ASP A 34 25.603 14.957 -7.038 1.00 0.00 C ATOM 523 O ASP A 34 25.599 14.597 -8.220 1.00 0.00 O ATOM 524 CB ASP A 34 27.211 16.849 -7.284 1.00 0.00 C ATOM 525 CG ASP A 34 28.313 17.671 -6.656 1.00 0.00 C ATOM 526 OD1 ASP A 34 28.021 18.470 -5.744 1.00 0.00 O ATOM 527 OD2 ASP A 34 29.480 17.528 -7.084 1.00 0.00 O ATOM 0 H ASP A 34 28.587 14.734 -7.100 1.00 0.00 H new ATOM 0 HA ASP A 34 26.575 15.992 -5.432 1.00 0.00 H new ATOM 0 HB2 ASP A 34 27.534 16.507 -8.267 1.00 0.00 H new ATOM 0 HB3 ASP A 34 26.335 17.480 -7.437 1.00 0.00 H new ATOM 532 N TYR A 35 24.574 14.770 -6.231 1.00 0.00 N ATOM 533 CA TYR A 35 23.394 14.050 -6.674 1.00 0.00 C ATOM 534 C TYR A 35 22.128 14.729 -6.176 1.00 0.00 C ATOM 535 O TYR A 35 22.152 15.475 -5.201 1.00 0.00 O ATOM 536 CB TYR A 35 23.433 12.606 -6.168 1.00 0.00 C ATOM 537 CG TYR A 35 23.181 12.469 -4.678 1.00 0.00 C ATOM 538 CD1 TYR A 35 24.211 12.607 -3.753 1.00 0.00 C ATOM 539 CD2 TYR A 35 21.905 12.196 -4.201 1.00 0.00 C ATOM 540 CE1 TYR A 35 23.973 12.475 -2.397 1.00 0.00 C ATOM 541 CE2 TYR A 35 21.661 12.061 -2.851 1.00 0.00 C ATOM 542 CZ TYR A 35 22.697 12.203 -1.952 1.00 0.00 C ATOM 543 OH TYR A 35 22.454 12.052 -0.606 1.00 0.00 O ATOM 0 H TYR A 35 24.531 15.105 -5.269 1.00 0.00 H new ATOM 0 HA TYR A 35 23.387 14.051 -7.764 1.00 0.00 H new ATOM 0 HB2 TYR A 35 22.687 12.022 -6.708 1.00 0.00 H new ATOM 0 HB3 TYR A 35 24.406 12.175 -6.403 1.00 0.00 H new ATOM 0 HD1 TYR A 35 25.212 12.820 -4.099 1.00 0.00 H new ATOM 0 HD2 TYR A 35 21.089 12.088 -4.901 1.00 0.00 H new ATOM 0 HE1 TYR A 35 24.783 12.584 -1.691 1.00 0.00 H new ATOM 0 HE2 TYR A 35 20.663 11.845 -2.499 1.00 0.00 H new ATOM 0 HH TYR A 35 21.502 11.865 -0.464 1.00 0.00 H new ATOM 553 N VAL A 36 21.026 14.455 -6.847 1.00 0.00 N ATOM 554 CA VAL A 36 19.729 14.966 -6.443 1.00 0.00 C ATOM 555 C VAL A 36 18.710 13.836 -6.490 1.00 0.00 C ATOM 556 O VAL A 36 18.758 12.992 -7.385 1.00 0.00 O ATOM 557 CB VAL A 36 19.273 16.130 -7.353 1.00 0.00 C ATOM 558 CG1 VAL A 36 17.902 16.646 -6.951 1.00 0.00 C ATOM 559 CG2 VAL A 36 20.284 17.261 -7.318 1.00 0.00 C ATOM 0 H VAL A 36 21.003 13.874 -7.685 1.00 0.00 H new ATOM 0 HA VAL A 36 19.809 15.353 -5.427 1.00 0.00 H new ATOM 0 HB VAL A 36 19.205 15.744 -8.370 1.00 0.00 H new ATOM 0 HG11 VAL A 36 17.613 17.463 -7.611 1.00 0.00 H new ATOM 0 HG12 VAL A 36 17.172 15.840 -7.030 1.00 0.00 H new ATOM 0 HG13 VAL A 36 17.936 17.005 -5.922 1.00 0.00 H new ATOM 0 HG21 VAL A 36 19.946 18.071 -7.964 1.00 0.00 H new ATOM 0 HG22 VAL A 36 20.383 17.629 -6.297 1.00 0.00 H new ATOM 0 HG23 VAL A 36 21.250 16.897 -7.668 1.00 0.00 H new ATOM 569 N ILE A 37 17.814 13.797 -5.517 1.00 0.00 N ATOM 570 CA ILE A 37 16.811 12.747 -5.455 1.00 0.00 C ATOM 571 C ILE A 37 15.469 13.264 -5.953 1.00 0.00 C ATOM 572 O ILE A 37 14.924 14.230 -5.406 1.00 0.00 O ATOM 573 CB ILE A 37 16.646 12.198 -4.024 1.00 0.00 C ATOM 574 CG1 ILE A 37 18.004 11.805 -3.440 1.00 0.00 C ATOM 575 CG2 ILE A 37 15.705 11.002 -4.020 1.00 0.00 C ATOM 576 CD1 ILE A 37 17.927 11.318 -2.010 1.00 0.00 C ATOM 0 H ILE A 37 17.761 14.479 -4.761 1.00 0.00 H new ATOM 0 HA ILE A 37 17.154 11.936 -6.097 1.00 0.00 H new ATOM 0 HB ILE A 37 16.216 12.983 -3.402 1.00 0.00 H new ATOM 0 HG12 ILE A 37 18.444 11.023 -4.059 1.00 0.00 H new ATOM 0 HG13 ILE A 37 18.673 12.664 -3.488 1.00 0.00 H new ATOM 0 HG21 ILE A 37 15.599 10.626 -3.002 1.00 0.00 H new ATOM 0 HG22 ILE A 37 14.729 11.306 -4.398 1.00 0.00 H new ATOM 0 HG23 ILE A 37 16.112 10.216 -4.657 1.00 0.00 H new ATOM 0 HD11 ILE A 37 18.926 11.057 -1.660 1.00 0.00 H new ATOM 0 HD12 ILE A 37 17.516 12.106 -1.379 1.00 0.00 H new ATOM 0 HD13 ILE A 37 17.283 10.440 -1.959 1.00 0.00 H new ATOM 588 N ASP A 38 14.940 12.623 -6.989 1.00 0.00 N ATOM 589 CA ASP A 38 13.647 13.013 -7.546 1.00 0.00 C ATOM 590 C ASP A 38 12.570 12.038 -7.095 1.00 0.00 C ATOM 591 O ASP A 38 12.340 11.002 -7.719 1.00 0.00 O ATOM 592 CB ASP A 38 13.691 13.092 -9.081 1.00 0.00 C ATOM 593 CG ASP A 38 12.350 13.487 -9.689 1.00 0.00 C ATOM 594 OD1 ASP A 38 11.600 14.243 -9.043 1.00 0.00 O ATOM 595 OD2 ASP A 38 12.042 13.034 -10.814 1.00 0.00 O ATOM 0 H ASP A 38 15.383 11.834 -7.460 1.00 0.00 H new ATOM 0 HA ASP A 38 13.408 14.009 -7.173 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.449 13.815 -9.382 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.996 12.125 -9.482 1.00 0.00 H new ATOM 600 N GLY A 39 11.976 12.338 -5.951 1.00 0.00 N ATOM 601 CA GLY A 39 10.855 11.559 -5.458 1.00 0.00 C ATOM 602 C GLY A 39 11.276 10.365 -4.624 1.00 0.00 C ATOM 603 O GLY A 39 10.525 9.900 -3.772 1.00 0.00 O ATOM 0 H GLY A 39 12.252 13.114 -5.349 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.210 12.202 -4.860 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.263 11.212 -6.304 1.00 0.00 H new ATOM 607 N GLY A 40 12.488 9.889 -4.849 1.00 0.00 N ATOM 608 CA GLY A 40 12.945 8.682 -4.195 1.00 0.00 C ATOM 609 C GLY A 40 14.065 8.042 -4.978 1.00 0.00 C ATOM 610 O GLY A 40 14.928 7.367 -4.417 1.00 0.00 O ATOM 0 H GLY A 40 13.168 10.319 -5.476 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.287 8.916 -3.187 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.117 7.980 -4.096 1.00 0.00 H new ATOM 614 N GLU A 41 14.050 8.272 -6.282 1.00 0.00 N ATOM 615 CA GLU A 41 15.132 7.837 -7.144 1.00 0.00 C ATOM 616 C GLU A 41 16.269 8.844 -7.095 1.00 0.00 C ATOM 617 O GLU A 41 16.057 10.049 -7.228 1.00 0.00 O ATOM 618 CB GLU A 41 14.639 7.657 -8.582 1.00 0.00 C ATOM 619 CG GLU A 41 13.813 6.398 -8.791 1.00 0.00 C ATOM 620 CD GLU A 41 14.638 5.129 -8.667 1.00 0.00 C ATOM 621 OE1 GLU A 41 15.041 4.781 -7.537 1.00 0.00 O ATOM 622 OE2 GLU A 41 14.888 4.477 -9.701 1.00 0.00 O ATOM 0 H GLU A 41 13.296 8.760 -6.766 1.00 0.00 H new ATOM 0 HA GLU A 41 15.497 6.874 -6.788 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.041 8.524 -8.863 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.499 7.632 -9.251 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.004 6.374 -8.061 1.00 0.00 H new ATOM 0 HG3 GLU A 41 13.351 6.431 -9.778 1.00 0.00 H new ATOM 629 N ILE A 42 17.466 8.337 -6.879 1.00 0.00 N ATOM 630 CA ILE A 42 18.661 9.161 -6.816 1.00 0.00 C ATOM 631 C ILE A 42 19.228 9.340 -8.211 1.00 0.00 C ATOM 632 O ILE A 42 19.245 8.401 -8.994 1.00 0.00 O ATOM 633 CB ILE A 42 19.734 8.503 -5.921 1.00 0.00 C ATOM 634 CG1 ILE A 42 19.189 8.288 -4.512 1.00 0.00 C ATOM 635 CG2 ILE A 42 20.997 9.352 -5.877 1.00 0.00 C ATOM 636 CD1 ILE A 42 20.132 7.530 -3.607 1.00 0.00 C ATOM 0 H ILE A 42 17.640 7.341 -6.742 1.00 0.00 H new ATOM 0 HA ILE A 42 18.389 10.128 -6.392 1.00 0.00 H new ATOM 0 HB ILE A 42 19.990 7.534 -6.350 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.970 9.257 -4.064 1.00 0.00 H new ATOM 0 HG13 ILE A 42 18.245 7.746 -4.575 1.00 0.00 H new ATOM 0 HG21 ILE A 42 21.738 8.869 -5.241 1.00 0.00 H new ATOM 0 HG22 ILE A 42 21.398 9.460 -6.885 1.00 0.00 H new ATOM 0 HG23 ILE A 42 20.760 10.337 -5.474 1.00 0.00 H new ATOM 0 HD11 ILE A 42 19.678 7.415 -2.623 1.00 0.00 H new ATOM 0 HD12 ILE A 42 20.332 6.546 -4.032 1.00 0.00 H new ATOM 0 HD13 ILE A 42 21.068 8.081 -3.513 1.00 0.00 H new ATOM 648 N ILE A 43 19.657 10.544 -8.544 1.00 0.00 N ATOM 649 CA ILE A 43 20.309 10.772 -9.821 1.00 0.00 C ATOM 650 C ILE A 43 21.499 11.704 -9.643 1.00 0.00 C ATOM 651 O ILE A 43 21.363 12.787 -9.068 1.00 0.00 O ATOM 652 CB ILE A 43 19.363 11.382 -10.889 1.00 0.00 C ATOM 653 CG1 ILE A 43 17.951 10.783 -10.835 1.00 0.00 C ATOM 654 CG2 ILE A 43 19.946 11.165 -12.271 1.00 0.00 C ATOM 655 CD1 ILE A 43 17.023 11.496 -9.874 1.00 0.00 C ATOM 0 H ILE A 43 19.567 11.372 -7.955 1.00 0.00 H new ATOM 0 HA ILE A 43 20.629 9.793 -10.177 1.00 0.00 H new ATOM 0 HB ILE A 43 19.278 12.447 -10.672 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.516 10.811 -11.834 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.022 9.734 -10.547 1.00 0.00 H new ATOM 0 HG21 ILE A 43 19.279 11.595 -13.019 1.00 0.00 H new ATOM 0 HG22 ILE A 43 20.921 11.648 -12.334 1.00 0.00 H new ATOM 0 HG23 ILE A 43 20.057 10.096 -12.455 1.00 0.00 H new ATOM 0 HD11 ILE A 43 16.044 11.017 -9.890 1.00 0.00 H new ATOM 0 HD12 ILE A 43 17.435 11.446 -8.866 1.00 0.00 H new ATOM 0 HD13 ILE A 43 16.921 12.539 -10.173 1.00 0.00 H new ATOM 667 N LEU A 44 22.676 11.266 -10.089 1.00 0.00 N ATOM 668 CA LEU A 44 23.842 12.152 -10.153 1.00 0.00 C ATOM 669 C LEU A 44 23.492 13.414 -10.918 1.00 0.00 C ATOM 670 O LEU A 44 22.690 13.373 -11.846 1.00 0.00 O ATOM 671 CB LEU A 44 25.016 11.477 -10.866 1.00 0.00 C ATOM 672 CG LEU A 44 25.518 10.198 -10.219 1.00 0.00 C ATOM 673 CD1 LEU A 44 26.589 9.548 -11.081 1.00 0.00 C ATOM 674 CD2 LEU A 44 26.052 10.480 -8.820 1.00 0.00 C ATOM 0 H LEU A 44 22.849 10.313 -10.409 1.00 0.00 H new ATOM 0 HA LEU A 44 24.129 12.388 -9.128 1.00 0.00 H new ATOM 0 HB2 LEU A 44 24.718 11.254 -11.891 1.00 0.00 H new ATOM 0 HB3 LEU A 44 25.842 12.186 -10.921 1.00 0.00 H new ATOM 0 HG LEU A 44 24.681 9.505 -10.133 1.00 0.00 H new ATOM 0 HD11 LEU A 44 26.937 8.633 -10.601 1.00 0.00 H new ATOM 0 HD12 LEU A 44 26.173 9.309 -12.060 1.00 0.00 H new ATOM 0 HD13 LEU A 44 27.426 10.235 -11.201 1.00 0.00 H new ATOM 0 HD21 LEU A 44 26.407 9.552 -8.372 1.00 0.00 H new ATOM 0 HD22 LEU A 44 26.875 11.192 -8.881 1.00 0.00 H new ATOM 0 HD23 LEU A 44 25.256 10.899 -8.204 1.00 0.00 H new ATOM 686 N ARG A 45 24.116 14.526 -10.560 1.00 0.00 N ATOM 687 CA ARG A 45 23.873 15.785 -11.255 1.00 0.00 C ATOM 688 C ARG A 45 24.293 15.708 -12.719 1.00 0.00 C ATOM 689 O ARG A 45 23.945 16.579 -13.509 1.00 0.00 O ATOM 690 CB ARG A 45 24.600 16.942 -10.574 1.00 0.00 C ATOM 691 CG ARG A 45 23.827 17.565 -9.420 1.00 0.00 C ATOM 692 CD ARG A 45 22.467 18.094 -9.864 1.00 0.00 C ATOM 693 NE ARG A 45 22.517 18.838 -11.126 1.00 0.00 N ATOM 694 CZ ARG A 45 22.984 20.079 -11.258 1.00 0.00 C ATOM 695 NH1 ARG A 45 23.556 20.703 -10.234 1.00 0.00 N ATOM 696 NH2 ARG A 45 22.893 20.689 -12.430 1.00 0.00 N ATOM 0 H ARG A 45 24.791 14.585 -9.797 1.00 0.00 H new ATOM 0 HA ARG A 45 22.799 15.967 -11.211 1.00 0.00 H new ATOM 0 HB2 ARG A 45 25.561 16.586 -10.204 1.00 0.00 H new ATOM 0 HB3 ARG A 45 24.810 17.713 -11.316 1.00 0.00 H new ATOM 0 HG2 ARG A 45 23.688 16.823 -8.634 1.00 0.00 H new ATOM 0 HG3 ARG A 45 24.410 18.379 -8.990 1.00 0.00 H new ATOM 0 HD2 ARG A 45 21.777 17.257 -9.971 1.00 0.00 H new ATOM 0 HD3 ARG A 45 22.065 18.741 -9.085 1.00 0.00 H new ATOM 0 HE ARG A 45 22.169 18.372 -11.964 1.00 0.00 H new ATOM 0 HH11 ARG A 45 23.642 20.232 -9.333 1.00 0.00 H new ATOM 0 HH12 ARG A 45 23.909 21.653 -10.349 1.00 0.00 H new ATOM 0 HH21 ARG A 45 22.468 20.209 -13.223 1.00 0.00 H new ATOM 0 HH22 ARG A 45 23.248 21.639 -12.539 1.00 0.00 H new ATOM 710 N GLU A 46 25.019 14.657 -13.088 1.00 0.00 N ATOM 711 CA GLU A 46 25.459 14.511 -14.471 1.00 0.00 C ATOM 712 C GLU A 46 24.401 13.782 -15.287 1.00 0.00 C ATOM 713 O GLU A 46 24.426 13.796 -16.517 1.00 0.00 O ATOM 714 CB GLU A 46 26.790 13.765 -14.549 1.00 0.00 C ATOM 715 CG GLU A 46 27.920 14.457 -13.803 1.00 0.00 C ATOM 716 CD GLU A 46 29.275 13.859 -14.115 1.00 0.00 C ATOM 717 OE1 GLU A 46 29.554 12.732 -13.656 1.00 0.00 O ATOM 718 OE2 GLU A 46 30.065 14.514 -14.830 1.00 0.00 O ATOM 0 H GLU A 46 25.311 13.907 -12.462 1.00 0.00 H new ATOM 0 HA GLU A 46 25.603 15.508 -14.886 1.00 0.00 H new ATOM 0 HB2 GLU A 46 26.659 12.762 -14.144 1.00 0.00 H new ATOM 0 HB3 GLU A 46 27.073 13.651 -15.596 1.00 0.00 H new ATOM 0 HG2 GLU A 46 27.926 15.516 -14.061 1.00 0.00 H new ATOM 0 HG3 GLU A 46 27.736 14.392 -12.731 1.00 0.00 H new ATOM 725 N ASN A 47 23.468 13.148 -14.593 1.00 0.00 N ATOM 726 CA ASN A 47 22.403 12.402 -15.247 1.00 0.00 C ATOM 727 C ASN A 47 21.044 13.010 -14.917 1.00 0.00 C ATOM 728 O ASN A 47 20.039 12.708 -15.562 1.00 0.00 O ATOM 729 CB ASN A 47 22.436 10.929 -14.814 1.00 0.00 C ATOM 730 CG ASN A 47 23.706 10.216 -15.247 1.00 0.00 C ATOM 731 OD1 ASN A 47 24.303 10.558 -16.266 1.00 0.00 O ATOM 732 ND2 ASN A 47 24.118 9.204 -14.492 1.00 0.00 N ATOM 0 H ASN A 47 23.427 13.135 -13.574 1.00 0.00 H new ATOM 0 HA ASN A 47 22.560 12.456 -16.324 1.00 0.00 H new ATOM 0 HB2 ASN A 47 22.345 10.872 -13.729 1.00 0.00 H new ATOM 0 HB3 ASN A 47 21.573 10.412 -15.234 1.00 0.00 H new ATOM 0 HD21 ASN A 47 24.955 8.682 -14.751 1.00 0.00 H new ATOM 0 HD22 ASN A 47 23.597 8.949 -13.653 1.00 0.00 H new ATOM 739 N LEU A 48 21.033 13.885 -13.913 1.00 0.00 N ATOM 740 CA LEU A 48 19.800 14.475 -13.402 1.00 0.00 C ATOM 741 C LEU A 48 19.124 15.346 -14.446 1.00 0.00 C ATOM 742 O LEU A 48 17.900 15.364 -14.539 1.00 0.00 O ATOM 743 CB LEU A 48 20.078 15.324 -12.163 1.00 0.00 C ATOM 744 CG LEU A 48 18.836 15.963 -11.543 1.00 0.00 C ATOM 745 CD1 LEU A 48 18.020 14.925 -10.787 1.00 0.00 C ATOM 746 CD2 LEU A 48 19.224 17.114 -10.634 1.00 0.00 C ATOM 0 H LEU A 48 21.875 14.203 -13.434 1.00 0.00 H new ATOM 0 HA LEU A 48 19.137 13.649 -13.144 1.00 0.00 H new ATOM 0 HB2 LEU A 48 20.564 14.701 -11.412 1.00 0.00 H new ATOM 0 HB3 LEU A 48 20.783 16.112 -12.428 1.00 0.00 H new ATOM 0 HG LEU A 48 18.216 16.361 -12.347 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.140 15.400 -10.353 1.00 0.00 H new ATOM 0 HD12 LEU A 48 17.707 14.138 -11.473 1.00 0.00 H new ATOM 0 HD13 LEU A 48 18.628 14.492 -9.992 1.00 0.00 H new ATOM 0 HD21 LEU A 48 18.326 17.556 -10.202 1.00 0.00 H new ATOM 0 HD22 LEU A 48 19.867 16.746 -9.835 1.00 0.00 H new ATOM 0 HD23 LEU A 48 19.758 17.869 -11.211 1.00 0.00 H new ATOM 758 N GLU A 49 19.930 16.069 -15.212 1.00 0.00 N ATOM 759 CA GLU A 49 19.422 16.993 -16.218 1.00 0.00 C ATOM 760 C GLU A 49 18.397 16.303 -17.116 1.00 0.00 C ATOM 761 O GLU A 49 17.273 16.779 -17.286 1.00 0.00 O ATOM 762 CB GLU A 49 20.578 17.534 -17.061 1.00 0.00 C ATOM 763 CG GLU A 49 21.731 18.090 -16.237 1.00 0.00 C ATOM 764 CD GLU A 49 21.305 19.196 -15.292 1.00 0.00 C ATOM 765 OE1 GLU A 49 20.776 20.219 -15.772 1.00 0.00 O ATOM 766 OE2 GLU A 49 21.495 19.044 -14.068 1.00 0.00 O ATOM 0 H GLU A 49 20.948 16.033 -15.155 1.00 0.00 H new ATOM 0 HA GLU A 49 18.931 17.823 -15.709 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.953 16.736 -17.701 1.00 0.00 H new ATOM 0 HB3 GLU A 49 20.201 18.319 -17.717 1.00 0.00 H new ATOM 0 HG2 GLU A 49 22.182 17.282 -15.661 1.00 0.00 H new ATOM 0 HG3 GLU A 49 22.500 18.470 -16.909 1.00 0.00 H new ATOM 773 N ARG A 50 18.783 15.153 -17.656 1.00 0.00 N ATOM 774 CA ARG A 50 17.911 14.387 -18.533 1.00 0.00 C ATOM 775 C ARG A 50 16.715 13.829 -17.763 1.00 0.00 C ATOM 776 O ARG A 50 15.603 13.782 -18.283 1.00 0.00 O ATOM 777 CB ARG A 50 18.698 13.251 -19.196 1.00 0.00 C ATOM 778 CG ARG A 50 17.869 12.393 -20.140 1.00 0.00 C ATOM 779 CD ARG A 50 17.193 13.229 -21.217 1.00 0.00 C ATOM 780 NE ARG A 50 18.155 13.963 -22.039 1.00 0.00 N ATOM 781 CZ ARG A 50 18.509 13.596 -23.273 1.00 0.00 C ATOM 782 NH1 ARG A 50 18.057 12.461 -23.792 1.00 0.00 N ATOM 783 NH2 ARG A 50 19.334 14.350 -23.982 1.00 0.00 N ATOM 0 H ARG A 50 19.698 14.731 -17.500 1.00 0.00 H new ATOM 0 HA ARG A 50 17.532 15.053 -19.308 1.00 0.00 H new ATOM 0 HB2 ARG A 50 19.535 13.677 -19.749 1.00 0.00 H new ATOM 0 HB3 ARG A 50 19.121 12.614 -18.419 1.00 0.00 H new ATOM 0 HG2 ARG A 50 18.509 11.645 -20.609 1.00 0.00 H new ATOM 0 HG3 ARG A 50 17.112 11.853 -19.571 1.00 0.00 H new ATOM 0 HD2 ARG A 50 16.595 12.579 -21.856 1.00 0.00 H new ATOM 0 HD3 ARG A 50 16.507 13.934 -20.748 1.00 0.00 H new ATOM 0 HE ARG A 50 18.580 14.803 -21.647 1.00 0.00 H new ATOM 0 HH11 ARG A 50 17.435 11.863 -23.248 1.00 0.00 H new ATOM 0 HH12 ARG A 50 18.331 12.187 -24.735 1.00 0.00 H new ATOM 0 HH21 ARG A 50 19.702 15.215 -23.586 1.00 0.00 H new ATOM 0 HH22 ARG A 50 19.602 14.066 -24.924 1.00 0.00 H new ATOM 797 N TYR A 51 16.943 13.437 -16.516 1.00 0.00 N ATOM 798 CA TYR A 51 15.890 12.840 -15.700 1.00 0.00 C ATOM 799 C TYR A 51 14.790 13.864 -15.415 1.00 0.00 C ATOM 800 O TYR A 51 13.602 13.559 -15.526 1.00 0.00 O ATOM 801 CB TYR A 51 16.471 12.305 -14.389 1.00 0.00 C ATOM 802 CG TYR A 51 15.595 11.276 -13.711 1.00 0.00 C ATOM 803 CD1 TYR A 51 15.715 9.929 -14.023 1.00 0.00 C ATOM 804 CD2 TYR A 51 14.654 11.647 -12.759 1.00 0.00 C ATOM 805 CE1 TYR A 51 14.923 8.980 -13.408 1.00 0.00 C ATOM 806 CE2 TYR A 51 13.859 10.702 -12.139 1.00 0.00 C ATOM 807 CZ TYR A 51 13.998 9.371 -12.468 1.00 0.00 C ATOM 808 OH TYR A 51 13.211 8.424 -11.852 1.00 0.00 O ATOM 0 H TYR A 51 17.845 13.521 -16.047 1.00 0.00 H new ATOM 0 HA TYR A 51 15.454 12.008 -16.253 1.00 0.00 H new ATOM 0 HB2 TYR A 51 17.447 11.863 -14.588 1.00 0.00 H new ATOM 0 HB3 TYR A 51 16.632 13.139 -13.706 1.00 0.00 H new ATOM 0 HD1 TYR A 51 16.441 9.618 -14.760 1.00 0.00 H new ATOM 0 HD2 TYR A 51 14.542 12.689 -12.500 1.00 0.00 H new ATOM 0 HE1 TYR A 51 15.029 7.936 -13.664 1.00 0.00 H new ATOM 0 HE2 TYR A 51 13.132 11.005 -11.400 1.00 0.00 H new ATOM 0 HH TYR A 51 12.611 8.863 -11.214 1.00 0.00 H new ATOM 818 N LEU A 52 15.197 15.082 -15.073 1.00 0.00 N ATOM 819 CA LEU A 52 14.256 16.167 -14.802 1.00 0.00 C ATOM 820 C LEU A 52 13.601 16.648 -16.091 1.00 0.00 C ATOM 821 O LEU A 52 12.522 17.230 -16.067 1.00 0.00 O ATOM 822 CB LEU A 52 14.962 17.339 -14.115 1.00 0.00 C ATOM 823 CG LEU A 52 15.548 17.035 -12.735 1.00 0.00 C ATOM 824 CD1 LEU A 52 16.054 18.315 -12.089 1.00 0.00 C ATOM 825 CD2 LEU A 52 14.517 16.355 -11.849 1.00 0.00 C ATOM 0 H LEU A 52 16.178 15.345 -14.976 1.00 0.00 H new ATOM 0 HA LEU A 52 13.485 15.780 -14.136 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.766 17.687 -14.764 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.253 18.161 -14.017 1.00 0.00 H new ATOM 0 HG LEU A 52 16.388 16.351 -12.857 1.00 0.00 H new ATOM 0 HD11 LEU A 52 16.469 18.088 -11.107 1.00 0.00 H new ATOM 0 HD12 LEU A 52 16.828 18.758 -12.716 1.00 0.00 H new ATOM 0 HD13 LEU A 52 15.229 19.018 -11.980 1.00 0.00 H new ATOM 0 HD21 LEU A 52 14.956 16.148 -10.873 1.00 0.00 H new ATOM 0 HD22 LEU A 52 13.654 17.009 -11.728 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.201 15.419 -12.310 1.00 0.00 H new ATOM 837 N ARG A 53 14.254 16.400 -17.213 1.00 0.00 N ATOM 838 CA ARG A 53 13.696 16.785 -18.499 1.00 0.00 C ATOM 839 C ARG A 53 12.631 15.779 -18.920 1.00 0.00 C ATOM 840 O ARG A 53 11.754 16.082 -19.728 1.00 0.00 O ATOM 841 CB ARG A 53 14.782 16.870 -19.573 1.00 0.00 C ATOM 842 CG ARG A 53 14.388 17.752 -20.748 1.00 0.00 C ATOM 843 CD ARG A 53 14.815 17.155 -22.080 1.00 0.00 C ATOM 844 NE ARG A 53 14.084 15.921 -22.377 1.00 0.00 N ATOM 845 CZ ARG A 53 13.013 15.853 -23.171 1.00 0.00 C ATOM 846 NH1 ARG A 53 12.513 16.946 -23.732 1.00 0.00 N ATOM 847 NH2 ARG A 53 12.433 14.683 -23.385 1.00 0.00 N ATOM 0 H ARG A 53 15.162 15.938 -17.261 1.00 0.00 H new ATOM 0 HA ARG A 53 13.247 17.773 -18.393 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.698 17.257 -19.126 1.00 0.00 H new ATOM 0 HB3 ARG A 53 15.004 15.867 -19.937 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.308 17.897 -20.746 1.00 0.00 H new ATOM 0 HG3 ARG A 53 14.842 18.736 -20.630 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.644 17.880 -22.876 1.00 0.00 H new ATOM 0 HD3 ARG A 53 15.885 16.949 -22.061 1.00 0.00 H new ATOM 0 HE ARG A 53 14.415 15.056 -21.949 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.947 17.853 -23.559 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.694 16.880 -24.337 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.805 13.841 -22.945 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.614 14.623 -23.990 1.00 0.00 H new ATOM 861 N GLU A 54 12.709 14.576 -18.365 1.00 0.00 N ATOM 862 CA GLU A 54 11.733 13.539 -18.661 1.00 0.00 C ATOM 863 C GLU A 54 10.609 13.542 -17.633 1.00 0.00 C ATOM 864 O GLU A 54 9.446 13.746 -17.981 1.00 0.00 O ATOM 865 CB GLU A 54 12.388 12.155 -18.696 1.00 0.00 C ATOM 866 CG GLU A 54 13.469 12.007 -19.754 1.00 0.00 C ATOM 867 CD GLU A 54 12.998 12.392 -21.141 1.00 0.00 C ATOM 868 OE1 GLU A 54 11.836 12.090 -21.491 1.00 0.00 O ATOM 869 OE2 GLU A 54 13.792 12.990 -21.895 1.00 0.00 O ATOM 0 H GLU A 54 13.438 14.296 -17.708 1.00 0.00 H new ATOM 0 HA GLU A 54 11.318 13.756 -19.645 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.821 11.945 -17.718 1.00 0.00 H new ATOM 0 HB3 GLU A 54 11.617 11.404 -18.872 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.323 12.627 -19.482 1.00 0.00 H new ATOM 0 HG3 GLU A 54 13.816 10.974 -19.768 1.00 0.00 H new ATOM 876 N GLN A 55 10.956 13.330 -16.363 1.00 0.00 N ATOM 877 CA GLN A 55 9.953 13.181 -15.319 1.00 0.00 C ATOM 878 C GLN A 55 9.635 14.513 -14.658 1.00 0.00 C ATOM 879 O GLN A 55 8.545 15.053 -14.854 1.00 0.00 O ATOM 880 CB GLN A 55 10.428 12.165 -14.270 1.00 0.00 C ATOM 881 CG GLN A 55 9.490 12.018 -13.074 1.00 0.00 C ATOM 882 CD GLN A 55 9.759 10.758 -12.275 1.00 0.00 C ATOM 883 OE1 GLN A 55 9.178 9.707 -12.546 1.00 0.00 O ATOM 884 NE2 GLN A 55 10.641 10.846 -11.299 1.00 0.00 N ATOM 0 H GLN A 55 11.920 13.259 -16.038 1.00 0.00 H new ATOM 0 HA GLN A 55 9.038 12.814 -15.783 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.544 11.193 -14.748 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.413 12.463 -13.911 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.597 12.886 -12.424 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.458 12.008 -13.425 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.101 11.736 -11.106 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.863 10.024 -10.737 1.00 0.00 H new ATOM 893 N LEU A 56 10.607 15.064 -13.929 1.00 0.00 N ATOM 894 CA LEU A 56 10.383 16.264 -13.112 1.00 0.00 C ATOM 895 C LEU A 56 9.053 16.156 -12.348 1.00 0.00 C ATOM 896 O LEU A 56 8.327 17.143 -12.190 1.00 0.00 O ATOM 897 CB LEU A 56 10.374 17.507 -14.008 1.00 0.00 C ATOM 898 CG LEU A 56 10.575 18.838 -13.282 1.00 0.00 C ATOM 899 CD1 LEU A 56 12.006 18.970 -12.787 1.00 0.00 C ATOM 900 CD2 LEU A 56 10.218 20.002 -14.190 1.00 0.00 C ATOM 0 H LEU A 56 11.559 14.700 -13.886 1.00 0.00 H new ATOM 0 HA LEU A 56 11.192 16.350 -12.387 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.157 17.399 -14.758 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.424 17.543 -14.542 1.00 0.00 H new ATOM 0 HG LEU A 56 9.910 18.858 -12.418 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.127 19.924 -12.274 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.229 18.156 -12.097 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.690 18.925 -13.635 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.368 20.940 -13.655 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.855 19.983 -15.074 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.174 19.920 -14.493 1.00 0.00 H new ATOM 912 N GLY A 57 8.738 14.956 -11.876 1.00 0.00 N ATOM 913 CA GLY A 57 7.413 14.704 -11.338 1.00 0.00 C ATOM 914 C GLY A 57 7.417 14.096 -9.951 1.00 0.00 C ATOM 915 O GLY A 57 6.354 13.812 -9.402 1.00 0.00 O ATOM 0 H GLY A 57 9.371 14.157 -11.856 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.859 15.642 -11.311 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.878 14.037 -12.014 1.00 0.00 H new ATOM 919 N PHE A 58 8.600 13.906 -9.381 1.00 0.00 N ATOM 920 CA PHE A 58 8.735 13.370 -8.026 1.00 0.00 C ATOM 921 C PHE A 58 8.138 11.964 -7.939 1.00 0.00 C ATOM 922 O PHE A 58 8.076 11.231 -8.929 1.00 0.00 O ATOM 923 CB PHE A 58 8.040 14.278 -6.994 1.00 0.00 C ATOM 924 CG PHE A 58 8.101 15.752 -7.301 1.00 0.00 C ATOM 925 CD1 PHE A 58 9.258 16.338 -7.786 1.00 0.00 C ATOM 926 CD2 PHE A 58 6.984 16.548 -7.099 1.00 0.00 C ATOM 927 CE1 PHE A 58 9.298 17.691 -8.061 1.00 0.00 C ATOM 928 CE2 PHE A 58 7.020 17.900 -7.374 1.00 0.00 C ATOM 929 CZ PHE A 58 8.179 18.471 -7.857 1.00 0.00 C ATOM 0 H PHE A 58 9.488 14.116 -9.837 1.00 0.00 H new ATOM 0 HA PHE A 58 9.800 13.328 -7.799 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.994 13.981 -6.917 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.493 14.106 -6.018 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.137 15.732 -7.951 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.074 16.105 -6.722 1.00 0.00 H new ATOM 0 HE1 PHE A 58 10.206 18.139 -8.436 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.143 18.509 -7.211 1.00 0.00 H new ATOM 0 HZ PHE A 58 8.210 19.528 -8.075 1.00 0.00 H new ATOM 939 N GLU A 59 7.708 11.594 -6.740 1.00 0.00 N ATOM 940 CA GLU A 59 7.108 10.289 -6.495 1.00 0.00 C ATOM 941 C GLU A 59 5.598 10.421 -6.310 1.00 0.00 C ATOM 942 O GLU A 59 5.131 10.825 -5.245 1.00 0.00 O ATOM 943 CB GLU A 59 7.739 9.668 -5.250 1.00 0.00 C ATOM 944 CG GLU A 59 7.224 8.287 -4.904 1.00 0.00 C ATOM 945 CD GLU A 59 7.588 7.241 -5.932 1.00 0.00 C ATOM 946 OE1 GLU A 59 8.744 6.777 -5.930 1.00 0.00 O ATOM 947 OE2 GLU A 59 6.708 6.850 -6.729 1.00 0.00 O ATOM 0 H GLU A 59 7.765 12.188 -5.912 1.00 0.00 H new ATOM 0 HA GLU A 59 7.292 9.645 -7.355 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.818 9.613 -5.394 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.564 10.330 -4.402 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.624 7.989 -3.935 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.139 8.326 -4.803 1.00 0.00 H new ATOM 954 N PHE A 60 4.846 10.081 -7.344 1.00 0.00 N ATOM 955 CA PHE A 60 3.389 10.142 -7.295 1.00 0.00 C ATOM 956 C PHE A 60 2.817 8.824 -6.795 1.00 0.00 C ATOM 957 O PHE A 60 2.783 7.837 -7.530 1.00 0.00 O ATOM 958 CB PHE A 60 2.795 10.437 -8.679 1.00 0.00 C ATOM 959 CG PHE A 60 3.022 11.834 -9.185 1.00 0.00 C ATOM 960 CD1 PHE A 60 2.646 12.930 -8.428 1.00 0.00 C ATOM 961 CD2 PHE A 60 3.585 12.048 -10.432 1.00 0.00 C ATOM 962 CE1 PHE A 60 2.828 14.214 -8.903 1.00 0.00 C ATOM 963 CE2 PHE A 60 3.773 13.330 -10.912 1.00 0.00 C ATOM 964 CZ PHE A 60 3.393 14.415 -10.146 1.00 0.00 C ATOM 0 H PHE A 60 5.221 9.757 -8.235 1.00 0.00 H new ATOM 0 HA PHE A 60 3.124 10.949 -6.612 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.218 9.734 -9.396 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.722 10.250 -8.644 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.205 12.779 -7.454 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.881 11.203 -11.036 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.528 15.060 -8.302 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.216 13.484 -11.885 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.538 15.418 -10.519 1.00 0.00 H new ATOM 974 N LYS A 61 2.362 8.793 -5.548 1.00 0.00 N ATOM 975 CA LYS A 61 1.774 7.574 -5.004 1.00 0.00 C ATOM 976 C LYS A 61 0.315 7.792 -4.609 1.00 0.00 C ATOM 977 O LYS A 61 0.008 8.255 -3.509 1.00 0.00 O ATOM 978 CB LYS A 61 2.584 7.049 -3.815 1.00 0.00 C ATOM 979 CG LYS A 61 4.012 6.667 -4.173 1.00 0.00 C ATOM 980 CD LYS A 61 4.633 5.776 -3.113 1.00 0.00 C ATOM 981 CE LYS A 61 6.006 5.277 -3.537 1.00 0.00 C ATOM 982 NZ LYS A 61 5.956 4.545 -4.834 1.00 0.00 N ATOM 0 H LYS A 61 2.387 9.583 -4.904 1.00 0.00 H new ATOM 0 HA LYS A 61 1.802 6.819 -5.790 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.605 7.811 -3.036 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.078 6.179 -3.397 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.022 6.152 -5.134 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.613 7.569 -4.289 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.719 6.328 -2.177 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.979 4.925 -2.923 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.689 6.122 -3.624 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.408 4.621 -2.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.754 3.881 -4.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.062 4.018 -4.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.017 5.225 -5.619 1.00 0.00 H new ATOM 996 N ASN A 62 -0.584 7.470 -5.528 1.00 0.00 N ATOM 997 CA ASN A 62 -2.014 7.615 -5.285 1.00 0.00 C ATOM 998 C ASN A 62 -2.548 6.403 -4.538 1.00 0.00 C ATOM 999 O ASN A 62 -3.263 5.573 -5.110 1.00 0.00 O ATOM 1000 CB ASN A 62 -2.784 7.817 -6.598 1.00 0.00 C ATOM 1001 CG ASN A 62 -2.476 9.143 -7.269 1.00 0.00 C ATOM 1002 OD1 ASN A 62 -3.121 10.158 -6.996 1.00 0.00 O ATOM 1003 ND2 ASN A 62 -1.495 9.145 -8.162 1.00 0.00 N ATOM 0 H ASN A 62 -0.349 7.106 -6.451 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.163 8.502 -4.670 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.542 7.005 -7.283 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.854 7.757 -6.398 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -1.251 10.007 -8.650 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.984 8.285 -8.361 1.00 0.00 H new ATOM 1010 N ALA A 63 -2.154 6.301 -3.270 1.00 0.00 N ATOM 1011 CA ALA A 63 -2.587 5.232 -2.377 1.00 0.00 C ATOM 1012 C ALA A 63 -2.223 3.853 -2.920 1.00 0.00 C ATOM 1013 O ALA A 63 -1.148 3.323 -2.641 1.00 0.00 O ATOM 1014 CB ALA A 63 -4.085 5.330 -2.112 1.00 0.00 C ATOM 0 H ALA A 63 -1.518 6.966 -2.830 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.056 5.358 -1.434 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.390 4.524 -1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.310 6.291 -1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.627 5.245 -3.054 1.00 0.00 H new ATOM 1477 N ASP B 19 3.870 -0.697 4.785 1.00 0.00 N ATOM 1478 CA ASP B 19 4.577 0.552 4.554 1.00 0.00 C ATOM 1479 C ASP B 19 3.745 1.728 5.045 1.00 0.00 C ATOM 1480 O ASP B 19 2.913 2.270 4.314 1.00 0.00 O ATOM 1481 CB ASP B 19 4.913 0.705 3.068 1.00 0.00 C ATOM 1482 CG ASP B 19 5.933 1.797 2.807 1.00 0.00 C ATOM 1483 OD1 ASP B 19 7.142 1.541 2.993 1.00 0.00 O ATOM 1484 OD2 ASP B 19 5.540 2.906 2.397 1.00 0.00 O ATOM 0 HA ASP B 19 5.511 0.537 5.115 1.00 0.00 H new ATOM 0 HB2 ASP B 19 5.295 -0.242 2.687 1.00 0.00 H new ATOM 0 HB3 ASP B 19 4.000 0.926 2.514 1.00 0.00 H new ATOM 1489 N VAL B 20 3.932 2.069 6.311 1.00 0.00 N ATOM 1490 CA VAL B 20 3.221 3.187 6.925 1.00 0.00 C ATOM 1491 C VAL B 20 4.183 4.331 7.231 1.00 0.00 C ATOM 1492 O VAL B 20 5.282 4.111 7.742 1.00 0.00 O ATOM 1493 CB VAL B 20 2.508 2.755 8.226 1.00 0.00 C ATOM 1494 CG1 VAL B 20 1.713 3.906 8.831 1.00 0.00 C ATOM 1495 CG2 VAL B 20 1.602 1.566 7.960 1.00 0.00 C ATOM 0 H VAL B 20 4.574 1.586 6.939 1.00 0.00 H new ATOM 0 HA VAL B 20 2.469 3.526 6.212 1.00 0.00 H new ATOM 0 HB VAL B 20 3.271 2.462 8.947 1.00 0.00 H new ATOM 0 HG11 VAL B 20 1.224 3.569 9.745 1.00 0.00 H new ATOM 0 HG12 VAL B 20 2.386 4.731 9.063 1.00 0.00 H new ATOM 0 HG13 VAL B 20 0.960 4.242 8.119 1.00 0.00 H new ATOM 0 HG21 VAL B 20 1.106 1.272 8.885 1.00 0.00 H new ATOM 0 HG22 VAL B 20 0.852 1.839 7.217 1.00 0.00 H new ATOM 0 HG23 VAL B 20 2.196 0.732 7.586 1.00 0.00 H new ATOM 1505 N GLN B 21 3.763 5.547 6.912 1.00 0.00 N ATOM 1506 CA GLN B 21 4.598 6.729 7.088 1.00 0.00 C ATOM 1507 C GLN B 21 3.774 7.862 7.692 1.00 0.00 C ATOM 1508 O GLN B 21 2.591 7.696 7.969 1.00 0.00 O ATOM 1509 CB GLN B 21 5.138 7.199 5.734 1.00 0.00 C ATOM 1510 CG GLN B 21 5.802 6.116 4.901 1.00 0.00 C ATOM 1511 CD GLN B 21 5.913 6.516 3.444 1.00 0.00 C ATOM 1512 OE1 GLN B 21 6.836 6.115 2.738 1.00 0.00 O ATOM 1513 NE2 GLN B 21 4.959 7.314 2.984 1.00 0.00 N ATOM 0 H GLN B 21 2.839 5.743 6.526 1.00 0.00 H new ATOM 0 HA GLN B 21 5.424 6.470 7.750 1.00 0.00 H new ATOM 0 HB2 GLN B 21 4.316 7.626 5.160 1.00 0.00 H new ATOM 0 HB3 GLN B 21 5.858 7.999 5.904 1.00 0.00 H new ATOM 0 HG2 GLN B 21 6.796 5.910 5.298 1.00 0.00 H new ATOM 0 HG3 GLN B 21 5.229 5.192 4.982 1.00 0.00 H new ATOM 0 HE21 GLN B 21 4.211 7.624 3.604 1.00 0.00 H new ATOM 0 HE22 GLN B 21 4.974 7.618 2.010 1.00 0.00 H new ATOM 1522 N ILE B 22 4.409 9.006 7.897 1.00 0.00 N ATOM 1523 CA ILE B 22 3.695 10.247 8.163 1.00 0.00 C ATOM 1524 C ILE B 22 4.219 11.325 7.228 1.00 0.00 C ATOM 1525 O ILE B 22 5.416 11.369 6.935 1.00 0.00 O ATOM 1526 CB ILE B 22 3.817 10.729 9.632 1.00 0.00 C ATOM 1527 CG1 ILE B 22 3.099 9.772 10.582 1.00 0.00 C ATOM 1528 CG2 ILE B 22 3.234 12.127 9.788 1.00 0.00 C ATOM 1529 CD1 ILE B 22 2.972 10.320 11.989 1.00 0.00 C ATOM 0 H ILE B 22 5.424 9.101 7.884 1.00 0.00 H new ATOM 0 HA ILE B 22 2.637 10.053 7.990 1.00 0.00 H new ATOM 0 HB ILE B 22 4.877 10.751 9.886 1.00 0.00 H new ATOM 0 HG12 ILE B 22 2.105 9.558 10.190 1.00 0.00 H new ATOM 0 HG13 ILE B 22 3.640 8.826 10.614 1.00 0.00 H new ATOM 0 HG21 ILE B 22 3.329 12.447 10.826 1.00 0.00 H new ATOM 0 HG22 ILE B 22 3.774 12.820 9.143 1.00 0.00 H new ATOM 0 HG23 ILE B 22 2.181 12.116 9.507 1.00 0.00 H new ATOM 0 HD11 ILE B 22 2.453 9.595 12.616 1.00 0.00 H new ATOM 0 HD12 ILE B 22 3.965 10.509 12.397 1.00 0.00 H new ATOM 0 HD13 ILE B 22 2.406 11.251 11.967 1.00 0.00 H new ATOM 1541 N ASP B 23 3.328 12.168 6.741 1.00 0.00 N ATOM 1542 CA ASP B 23 3.700 13.199 5.794 1.00 0.00 C ATOM 1543 C ASP B 23 4.122 14.473 6.527 1.00 0.00 C ATOM 1544 O ASP B 23 4.279 14.481 7.751 1.00 0.00 O ATOM 1545 CB ASP B 23 2.526 13.499 4.865 1.00 0.00 C ATOM 1546 CG ASP B 23 1.511 14.420 5.498 1.00 0.00 C ATOM 1547 OD1 ASP B 23 0.975 14.078 6.574 1.00 0.00 O ATOM 1548 OD2 ASP B 23 1.266 15.500 4.921 1.00 0.00 O ATOM 0 H ASP B 23 2.338 12.158 6.987 1.00 0.00 H new ATOM 0 HA ASP B 23 4.544 12.841 5.204 1.00 0.00 H new ATOM 0 HB2 ASP B 23 2.900 13.951 3.946 1.00 0.00 H new ATOM 0 HB3 ASP B 23 2.040 12.564 4.585 1.00 0.00 H new ATOM 1553 N PHE B 24 4.303 15.537 5.766 1.00 0.00 N ATOM 1554 CA PHE B 24 4.708 16.827 6.298 1.00 0.00 C ATOM 1555 C PHE B 24 3.629 17.420 7.208 1.00 0.00 C ATOM 1556 O PHE B 24 3.935 18.153 8.149 1.00 0.00 O ATOM 1557 CB PHE B 24 5.007 17.783 5.135 1.00 0.00 C ATOM 1558 CG PHE B 24 5.565 19.109 5.562 1.00 0.00 C ATOM 1559 CD1 PHE B 24 6.919 19.256 5.802 1.00 0.00 C ATOM 1560 CD2 PHE B 24 4.734 20.207 5.722 1.00 0.00 C ATOM 1561 CE1 PHE B 24 7.438 20.474 6.198 1.00 0.00 C ATOM 1562 CE2 PHE B 24 5.247 21.427 6.118 1.00 0.00 C ATOM 1563 CZ PHE B 24 6.600 21.561 6.356 1.00 0.00 C ATOM 0 H PHE B 24 4.172 15.531 4.754 1.00 0.00 H new ATOM 0 HA PHE B 24 5.606 16.688 6.901 1.00 0.00 H new ATOM 0 HB2 PHE B 24 5.714 17.304 4.457 1.00 0.00 H new ATOM 0 HB3 PHE B 24 4.089 17.951 4.571 1.00 0.00 H new ATOM 0 HD1 PHE B 24 7.578 18.409 5.679 1.00 0.00 H new ATOM 0 HD2 PHE B 24 3.675 20.108 5.535 1.00 0.00 H new ATOM 0 HE1 PHE B 24 8.497 20.576 6.384 1.00 0.00 H new ATOM 0 HE2 PHE B 24 4.590 22.275 6.241 1.00 0.00 H new ATOM 0 HZ PHE B 24 7.003 22.514 6.665 1.00 0.00 H new ATOM 1573 N TYR B 25 2.370 17.100 6.930 1.00 0.00 N ATOM 1574 CA TYR B 25 1.258 17.683 7.668 1.00 0.00 C ATOM 1575 C TYR B 25 1.208 17.151 9.099 1.00 0.00 C ATOM 1576 O TYR B 25 0.939 17.909 10.035 1.00 0.00 O ATOM 1577 CB TYR B 25 -0.065 17.415 6.945 1.00 0.00 C ATOM 1578 CG TYR B 25 -1.128 18.448 7.229 1.00 0.00 C ATOM 1579 CD1 TYR B 25 -0.798 19.793 7.317 1.00 0.00 C ATOM 1580 CD2 TYR B 25 -2.458 18.088 7.391 1.00 0.00 C ATOM 1581 CE1 TYR B 25 -1.760 20.746 7.570 1.00 0.00 C ATOM 1582 CE2 TYR B 25 -3.431 19.038 7.644 1.00 0.00 C ATOM 1583 CZ TYR B 25 -3.075 20.366 7.730 1.00 0.00 C ATOM 1584 OH TYR B 25 -4.034 21.322 7.981 1.00 0.00 O ATOM 0 H TYR B 25 2.095 16.442 6.201 1.00 0.00 H new ATOM 0 HA TYR B 25 1.413 18.761 7.717 1.00 0.00 H new ATOM 0 HB2 TYR B 25 0.118 17.380 5.871 1.00 0.00 H new ATOM 0 HB3 TYR B 25 -0.437 16.433 7.237 1.00 0.00 H new ATOM 0 HD1 TYR B 25 0.230 20.098 7.185 1.00 0.00 H new ATOM 0 HD2 TYR B 25 -2.739 17.048 7.318 1.00 0.00 H new ATOM 0 HE1 TYR B 25 -1.485 21.788 7.643 1.00 0.00 H new ATOM 0 HE2 TYR B 25 -4.461 18.741 7.773 1.00 0.00 H new ATOM 0 HH TYR B 25 -4.910 20.892 8.067 1.00 0.00 H new ATOM 1594 N GLY B 26 1.472 15.858 9.274 1.00 0.00 N ATOM 1595 CA GLY B 26 1.552 15.304 10.612 1.00 0.00 C ATOM 1596 C GLY B 26 0.390 14.399 10.956 1.00 0.00 C ATOM 1597 O GLY B 26 0.309 13.901 12.079 1.00 0.00 O ATOM 0 H GLY B 26 1.630 15.190 8.519 1.00 0.00 H new ATOM 0 HA2 GLY B 26 2.482 14.743 10.710 1.00 0.00 H new ATOM 0 HA3 GLY B 26 1.594 16.120 11.334 1.00 0.00 H new ATOM 1601 N ASP B 27 -0.509 14.183 10.004 1.00 0.00 N ATOM 1602 CA ASP B 27 -1.609 13.250 10.215 1.00 0.00 C ATOM 1603 C ASP B 27 -1.079 11.831 10.208 1.00 0.00 C ATOM 1604 O ASP B 27 -0.759 11.276 11.261 1.00 0.00 O ATOM 1605 CB ASP B 27 -2.698 13.397 9.152 1.00 0.00 C ATOM 1606 CG ASP B 27 -3.514 14.654 9.318 1.00 0.00 C ATOM 1607 OD1 ASP B 27 -4.261 14.759 10.315 1.00 0.00 O ATOM 1608 OD2 ASP B 27 -3.418 15.542 8.459 1.00 0.00 O ATOM 0 H ASP B 27 -0.500 14.635 9.089 1.00 0.00 H new ATOM 0 HA ASP B 27 -2.058 13.480 11.181 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -2.237 13.397 8.164 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -3.360 12.532 9.195 1.00 0.00 H new ATOM 1613 N GLU B 28 -0.971 11.262 9.007 1.00 0.00 N ATOM 1614 CA GLU B 28 -0.374 9.950 8.806 1.00 0.00 C ATOM 1615 C GLU B 28 -0.566 9.522 7.358 1.00 0.00 C ATOM 1616 O GLU B 28 -1.459 10.020 6.668 1.00 0.00 O ATOM 1617 CB GLU B 28 -0.978 8.905 9.744 1.00 0.00 C ATOM 1618 CG GLU B 28 -0.085 7.697 9.955 1.00 0.00 C ATOM 1619 CD GLU B 28 -0.628 6.750 11.000 1.00 0.00 C ATOM 1620 OE1 GLU B 28 -1.849 6.791 11.265 1.00 0.00 O ATOM 1621 OE2 GLU B 28 0.166 5.985 11.584 1.00 0.00 O ATOM 0 H GLU B 28 -1.297 11.703 8.147 1.00 0.00 H new ATOM 0 HA GLU B 28 0.689 10.022 9.034 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -1.183 9.369 10.709 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -1.935 8.574 9.340 1.00 0.00 H new ATOM 0 HG2 GLU B 28 0.029 7.164 9.011 1.00 0.00 H new ATOM 0 HG3 GLU B 28 0.908 8.032 10.254 1.00 0.00 H new ATOM 1628 N VAL B 29 0.277 8.610 6.903 1.00 0.00 N ATOM 1629 CA VAL B 29 0.243 8.144 5.529 1.00 0.00 C ATOM 1630 C VAL B 29 0.247 6.624 5.481 1.00 0.00 C ATOM 1631 O VAL B 29 1.271 5.989 5.743 1.00 0.00 O ATOM 1632 CB VAL B 29 1.446 8.673 4.725 1.00 0.00 C ATOM 1633 CG1 VAL B 29 1.402 8.160 3.299 1.00 0.00 C ATOM 1634 CG2 VAL B 29 1.478 10.190 4.738 1.00 0.00 C ATOM 0 H VAL B 29 1.001 8.174 7.474 1.00 0.00 H new ATOM 0 HA VAL B 29 -0.675 8.525 5.082 1.00 0.00 H new ATOM 0 HB VAL B 29 2.357 8.306 5.198 1.00 0.00 H new ATOM 0 HG11 VAL B 29 2.260 8.545 2.747 1.00 0.00 H new ATOM 0 HG12 VAL B 29 1.432 7.070 3.303 1.00 0.00 H new ATOM 0 HG13 VAL B 29 0.482 8.496 2.820 1.00 0.00 H new ATOM 0 HG21 VAL B 29 2.336 10.541 4.164 1.00 0.00 H new ATOM 0 HG22 VAL B 29 0.561 10.577 4.293 1.00 0.00 H new ATOM 0 HG23 VAL B 29 1.560 10.543 5.766 1.00 0.00 H new ATOM 1644 N THR B 30 -0.897 6.046 5.172 1.00 0.00 N ATOM 1645 CA THR B 30 -1.007 4.607 5.021 1.00 0.00 C ATOM 1646 C THR B 30 -1.083 4.249 3.537 1.00 0.00 C ATOM 1647 O THR B 30 -1.211 5.141 2.697 1.00 0.00 O ATOM 1648 CB THR B 30 -2.249 4.065 5.764 1.00 0.00 C ATOM 1649 OG1 THR B 30 -3.439 4.669 5.248 1.00 0.00 O ATOM 1650 CG2 THR B 30 -2.145 4.330 7.258 1.00 0.00 C ATOM 0 H THR B 30 -1.769 6.554 5.020 1.00 0.00 H new ATOM 0 HA THR B 30 -0.123 4.145 5.460 1.00 0.00 H new ATOM 0 HB THR B 30 -2.295 2.988 5.604 1.00 0.00 H new ATOM 0 HG1 THR B 30 -3.439 5.626 5.461 1.00 0.00 H new ATOM 0 HG21 THR B 30 -3.031 3.940 7.759 1.00 0.00 H new ATOM 0 HG22 THR B 30 -1.257 3.837 7.654 1.00 0.00 H new ATOM 0 HG23 THR B 30 -2.073 5.403 7.433 1.00 0.00 H new ATOM 1658 N PRO B 31 -1.009 2.951 3.185 1.00 0.00 N ATOM 1659 CA PRO B 31 -1.109 2.499 1.786 1.00 0.00 C ATOM 1660 C PRO B 31 -2.462 2.815 1.139 1.00 0.00 C ATOM 1661 O PRO B 31 -2.690 2.490 -0.024 1.00 0.00 O ATOM 1662 CB PRO B 31 -0.917 0.981 1.881 1.00 0.00 C ATOM 1663 CG PRO B 31 -1.224 0.638 3.297 1.00 0.00 C ATOM 1664 CD PRO B 31 -0.786 1.822 4.104 1.00 0.00 C ATOM 0 HA PRO B 31 -0.376 3.007 1.159 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -1.582 0.456 1.195 1.00 0.00 H new ATOM 0 HB3 PRO B 31 0.102 0.695 1.618 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -2.288 0.445 3.431 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -0.695 -0.264 3.605 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -1.370 1.925 5.019 1.00 0.00 H new ATOM 0 HD3 PRO B 31 0.260 1.744 4.400 1.00 0.00 H new ATOM 1672 N VAL B 32 -3.365 3.430 1.894 1.00 0.00 N ATOM 1673 CA VAL B 32 -4.663 3.813 1.356 1.00 0.00 C ATOM 1674 C VAL B 32 -4.795 5.332 1.304 1.00 0.00 C ATOM 1675 O VAL B 32 -5.861 5.868 0.990 1.00 0.00 O ATOM 1676 CB VAL B 32 -5.826 3.207 2.175 1.00 0.00 C ATOM 1677 CG1 VAL B 32 -5.695 1.694 2.237 1.00 0.00 C ATOM 1678 CG2 VAL B 32 -5.879 3.797 3.577 1.00 0.00 C ATOM 0 H VAL B 32 -3.223 3.673 2.875 1.00 0.00 H new ATOM 0 HA VAL B 32 -4.725 3.414 0.343 1.00 0.00 H new ATOM 0 HB VAL B 32 -6.760 3.458 1.673 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -6.520 1.281 2.817 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -5.720 1.285 1.227 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -4.750 1.430 2.712 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -6.707 3.351 4.128 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -4.943 3.588 4.095 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -6.025 4.875 3.513 1.00 0.00 H new ATOM 1688 N ASP B 33 -3.701 6.020 1.604 1.00 0.00 N ATOM 1689 CA ASP B 33 -3.671 7.475 1.542 1.00 0.00 C ATOM 1690 C ASP B 33 -2.951 7.933 0.286 1.00 0.00 C ATOM 1691 O ASP B 33 -1.935 7.358 -0.101 1.00 0.00 O ATOM 1692 CB ASP B 33 -2.974 8.079 2.770 1.00 0.00 C ATOM 1693 CG ASP B 33 -3.796 7.973 4.038 1.00 0.00 C ATOM 1694 OD1 ASP B 33 -4.863 8.621 4.116 1.00 0.00 O ATOM 1695 OD2 ASP B 33 -3.371 7.255 4.971 1.00 0.00 O ATOM 0 H ASP B 33 -2.821 5.593 1.893 1.00 0.00 H new ATOM 0 HA ASP B 33 -4.704 7.821 1.525 1.00 0.00 H new ATOM 0 HB2 ASP B 33 -2.019 7.576 2.921 1.00 0.00 H new ATOM 0 HB3 ASP B 33 -2.754 9.129 2.575 1.00 0.00 H new ATOM 1700 N ASP B 34 -3.487 8.958 -0.353 1.00 0.00 N ATOM 1701 CA ASP B 34 -2.845 9.551 -1.516 1.00 0.00 C ATOM 1702 C ASP B 34 -1.753 10.491 -1.048 1.00 0.00 C ATOM 1703 O ASP B 34 -2.001 11.353 -0.203 1.00 0.00 O ATOM 1704 CB ASP B 34 -3.851 10.334 -2.368 1.00 0.00 C ATOM 1705 CG ASP B 34 -4.963 9.476 -2.930 1.00 0.00 C ATOM 1706 OD1 ASP B 34 -4.701 8.680 -3.853 1.00 0.00 O ATOM 1707 OD2 ASP B 34 -6.120 9.615 -2.470 1.00 0.00 O ATOM 0 H ASP B 34 -4.367 9.399 -0.086 1.00 0.00 H new ATOM 0 HA ASP B 34 -2.428 8.751 -2.127 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -4.287 11.129 -1.763 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -3.322 10.814 -3.191 1.00 0.00 H new ATOM 1712 N TYR B 35 -0.550 10.332 -1.575 1.00 0.00 N ATOM 1713 CA TYR B 35 0.552 11.188 -1.176 1.00 0.00 C ATOM 1714 C TYR B 35 1.629 11.239 -2.248 1.00 0.00 C ATOM 1715 O TYR B 35 1.718 10.365 -3.109 1.00 0.00 O ATOM 1716 CB TYR B 35 1.149 10.716 0.154 1.00 0.00 C ATOM 1717 CG TYR B 35 1.964 9.443 0.071 1.00 0.00 C ATOM 1718 CD1 TYR B 35 1.354 8.197 -0.020 1.00 0.00 C ATOM 1719 CD2 TYR B 35 3.351 9.492 0.113 1.00 0.00 C ATOM 1720 CE1 TYR B 35 2.107 7.038 -0.069 1.00 0.00 C ATOM 1721 CE2 TYR B 35 4.107 8.341 0.069 1.00 0.00 C ATOM 1722 CZ TYR B 35 3.483 7.116 -0.020 1.00 0.00 C ATOM 1723 OH TYR B 35 4.235 5.964 -0.050 1.00 0.00 O ATOM 0 H TYR B 35 -0.314 9.626 -2.272 1.00 0.00 H new ATOM 0 HA TYR B 35 0.157 12.196 -1.045 1.00 0.00 H new ATOM 0 HB2 TYR B 35 1.781 11.509 0.554 1.00 0.00 H new ATOM 0 HB3 TYR B 35 0.338 10.565 0.866 1.00 0.00 H new ATOM 0 HD1 TYR B 35 0.276 8.133 -0.053 1.00 0.00 H new ATOM 0 HD2 TYR B 35 3.846 10.449 0.181 1.00 0.00 H new ATOM 0 HE1 TYR B 35 1.620 6.077 -0.145 1.00 0.00 H new ATOM 0 HE2 TYR B 35 5.185 8.399 0.104 1.00 0.00 H new ATOM 0 HH TYR B 35 5.187 6.194 -0.009 1.00 0.00 H new ATOM 1733 N VAL B 36 2.443 12.272 -2.190 1.00 0.00 N ATOM 1734 CA VAL B 36 3.526 12.448 -3.135 1.00 0.00 C ATOM 1735 C VAL B 36 4.786 12.833 -2.385 1.00 0.00 C ATOM 1736 O VAL B 36 4.738 13.621 -1.438 1.00 0.00 O ATOM 1737 CB VAL B 36 3.181 13.519 -4.193 1.00 0.00 C ATOM 1738 CG1 VAL B 36 4.375 13.850 -5.080 1.00 0.00 C ATOM 1739 CG2 VAL B 36 2.005 13.065 -5.036 1.00 0.00 C ATOM 0 H VAL B 36 2.373 13.010 -1.490 1.00 0.00 H new ATOM 0 HA VAL B 36 3.686 11.507 -3.662 1.00 0.00 H new ATOM 0 HB VAL B 36 2.909 14.430 -3.661 1.00 0.00 H new ATOM 0 HG11 VAL B 36 4.088 14.607 -5.809 1.00 0.00 H new ATOM 0 HG12 VAL B 36 5.191 14.230 -4.465 1.00 0.00 H new ATOM 0 HG13 VAL B 36 4.702 12.950 -5.601 1.00 0.00 H new ATOM 0 HG21 VAL B 36 1.772 13.829 -5.778 1.00 0.00 H new ATOM 0 HG22 VAL B 36 2.258 12.133 -5.542 1.00 0.00 H new ATOM 0 HG23 VAL B 36 1.138 12.906 -4.395 1.00 0.00 H new ATOM 1749 N ILE B 37 5.899 12.249 -2.782 1.00 0.00 N ATOM 1750 CA ILE B 37 7.158 12.497 -2.106 1.00 0.00 C ATOM 1751 C ILE B 37 8.028 13.442 -2.931 1.00 0.00 C ATOM 1752 O ILE B 37 8.516 13.071 -3.999 1.00 0.00 O ATOM 1753 CB ILE B 37 7.922 11.182 -1.841 1.00 0.00 C ATOM 1754 CG1 ILE B 37 7.030 10.204 -1.075 1.00 0.00 C ATOM 1755 CG2 ILE B 37 9.197 11.451 -1.059 1.00 0.00 C ATOM 1756 CD1 ILE B 37 7.661 8.847 -0.846 1.00 0.00 C ATOM 0 H ILE B 37 5.958 11.601 -3.567 1.00 0.00 H new ATOM 0 HA ILE B 37 6.932 12.961 -1.146 1.00 0.00 H new ATOM 0 HB ILE B 37 8.194 10.740 -2.799 1.00 0.00 H new ATOM 0 HG12 ILE B 37 6.773 10.641 -0.110 1.00 0.00 H new ATOM 0 HG13 ILE B 37 6.098 10.072 -1.624 1.00 0.00 H new ATOM 0 HG21 ILE B 37 9.721 10.511 -0.883 1.00 0.00 H new ATOM 0 HG22 ILE B 37 9.839 12.123 -1.629 1.00 0.00 H new ATOM 0 HG23 ILE B 37 8.947 11.912 -0.103 1.00 0.00 H new ATOM 0 HD11 ILE B 37 6.967 8.211 -0.297 1.00 0.00 H new ATOM 0 HD12 ILE B 37 7.893 8.387 -1.807 1.00 0.00 H new ATOM 0 HD13 ILE B 37 8.579 8.965 -0.269 1.00 0.00 H new ATOM 1768 N ASP B 38 8.205 14.665 -2.436 1.00 0.00 N ATOM 1769 CA ASP B 38 9.017 15.662 -3.129 1.00 0.00 C ATOM 1770 C ASP B 38 10.488 15.435 -2.823 1.00 0.00 C ATOM 1771 O ASP B 38 11.038 15.992 -1.873 1.00 0.00 O ATOM 1772 CB ASP B 38 8.604 17.090 -2.740 1.00 0.00 C ATOM 1773 CG ASP B 38 9.393 18.155 -3.490 1.00 0.00 C ATOM 1774 OD1 ASP B 38 9.748 17.921 -4.660 1.00 0.00 O ATOM 1775 OD2 ASP B 38 9.661 19.233 -2.908 1.00 0.00 O ATOM 0 H ASP B 38 7.798 14.989 -1.559 1.00 0.00 H new ATOM 0 HA ASP B 38 8.852 15.550 -4.201 1.00 0.00 H new ATOM 0 HB2 ASP B 38 7.541 17.223 -2.940 1.00 0.00 H new ATOM 0 HB3 ASP B 38 8.747 17.226 -1.668 1.00 0.00 H new ATOM 1780 N GLY B 39 11.095 14.535 -3.588 1.00 0.00 N ATOM 1781 CA GLY B 39 12.514 14.261 -3.454 1.00 0.00 C ATOM 1782 C GLY B 39 12.866 13.450 -2.217 1.00 0.00 C ATOM 1783 O GLY B 39 13.946 12.873 -2.140 1.00 0.00 O ATOM 0 H GLY B 39 10.624 13.985 -4.306 1.00 0.00 H new ATOM 0 HA2 GLY B 39 12.857 13.725 -4.339 1.00 0.00 H new ATOM 0 HA3 GLY B 39 13.056 15.206 -3.424 1.00 0.00 H new ATOM 1787 N GLY B 40 11.950 13.382 -1.264 1.00 0.00 N ATOM 1788 CA GLY B 40 12.244 12.761 0.011 1.00 0.00 C ATOM 1789 C GLY B 40 11.318 13.269 1.088 1.00 0.00 C ATOM 1790 O GLY B 40 11.107 12.608 2.105 1.00 0.00 O ATOM 0 H GLY B 40 11.002 13.748 -1.351 1.00 0.00 H new ATOM 0 HA2 GLY B 40 12.146 11.679 -0.077 1.00 0.00 H new ATOM 0 HA3 GLY B 40 13.278 12.966 0.289 1.00 0.00 H new ATOM 1794 N GLU B 41 10.763 14.449 0.860 1.00 0.00 N ATOM 1795 CA GLU B 41 9.772 15.009 1.758 1.00 0.00 C ATOM 1796 C GLU B 41 8.405 14.427 1.416 1.00 0.00 C ATOM 1797 O GLU B 41 7.936 14.554 0.286 1.00 0.00 O ATOM 1798 CB GLU B 41 9.746 16.534 1.634 1.00 0.00 C ATOM 1799 CG GLU B 41 9.020 17.227 2.776 1.00 0.00 C ATOM 1800 CD GLU B 41 9.722 17.036 4.104 1.00 0.00 C ATOM 1801 OE1 GLU B 41 10.706 17.758 4.370 1.00 0.00 O ATOM 1802 OE2 GLU B 41 9.307 16.158 4.885 1.00 0.00 O ATOM 0 H GLU B 41 10.985 15.037 0.057 1.00 0.00 H new ATOM 0 HA GLU B 41 10.028 14.755 2.787 1.00 0.00 H new ATOM 0 HB2 GLU B 41 10.770 16.904 1.589 1.00 0.00 H new ATOM 0 HB3 GLU B 41 9.267 16.805 0.693 1.00 0.00 H new ATOM 0 HG2 GLU B 41 8.941 18.292 2.560 1.00 0.00 H new ATOM 0 HG3 GLU B 41 8.004 16.839 2.846 1.00 0.00 H new ATOM 1809 N ILE B 42 7.781 13.773 2.380 1.00 0.00 N ATOM 1810 CA ILE B 42 6.486 13.145 2.164 1.00 0.00 C ATOM 1811 C ILE B 42 5.370 14.131 2.478 1.00 0.00 C ATOM 1812 O ILE B 42 5.381 14.757 3.527 1.00 0.00 O ATOM 1813 CB ILE B 42 6.320 11.892 3.056 1.00 0.00 C ATOM 1814 CG1 ILE B 42 7.483 10.923 2.835 1.00 0.00 C ATOM 1815 CG2 ILE B 42 4.994 11.203 2.765 1.00 0.00 C ATOM 1816 CD1 ILE B 42 7.501 9.758 3.802 1.00 0.00 C ATOM 0 H ILE B 42 8.151 13.662 3.324 1.00 0.00 H new ATOM 0 HA ILE B 42 6.431 12.842 1.118 1.00 0.00 H new ATOM 0 HB ILE B 42 6.324 12.208 4.099 1.00 0.00 H new ATOM 0 HG12 ILE B 42 7.433 10.537 1.817 1.00 0.00 H new ATOM 0 HG13 ILE B 42 8.421 11.470 2.923 1.00 0.00 H new ATOM 0 HG21 ILE B 42 4.894 10.324 3.401 1.00 0.00 H new ATOM 0 HG22 ILE B 42 4.174 11.892 2.966 1.00 0.00 H new ATOM 0 HG23 ILE B 42 4.964 10.899 1.719 1.00 0.00 H new ATOM 0 HD11 ILE B 42 8.354 9.116 3.582 1.00 0.00 H new ATOM 0 HD12 ILE B 42 7.583 10.133 4.822 1.00 0.00 H new ATOM 0 HD13 ILE B 42 6.579 9.185 3.699 1.00 0.00 H new ATOM 1828 N ILE B 43 4.425 14.295 1.563 1.00 0.00 N ATOM 1829 CA ILE B 43 3.279 15.159 1.815 1.00 0.00 C ATOM 1830 C ILE B 43 1.999 14.460 1.385 1.00 0.00 C ATOM 1831 O ILE B 43 1.966 13.817 0.332 1.00 0.00 O ATOM 1832 CB ILE B 43 3.358 16.515 1.062 1.00 0.00 C ATOM 1833 CG1 ILE B 43 4.769 17.107 1.085 1.00 0.00 C ATOM 1834 CG2 ILE B 43 2.376 17.508 1.667 1.00 0.00 C ATOM 1835 CD1 ILE B 43 5.633 16.663 -0.076 1.00 0.00 C ATOM 0 H ILE B 43 4.428 13.846 0.647 1.00 0.00 H new ATOM 0 HA ILE B 43 3.284 15.363 2.886 1.00 0.00 H new ATOM 0 HB ILE B 43 3.096 16.322 0.022 1.00 0.00 H new ATOM 0 HG12 ILE B 43 4.697 18.195 1.078 1.00 0.00 H new ATOM 0 HG13 ILE B 43 5.257 16.825 2.018 1.00 0.00 H new ATOM 0 HG21 ILE B 43 2.440 18.455 1.131 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.363 17.113 1.586 1.00 0.00 H new ATOM 0 HG23 ILE B 43 2.621 17.668 2.717 1.00 0.00 H new ATOM 0 HD11 ILE B 43 6.618 17.122 0.007 1.00 0.00 H new ATOM 0 HD12 ILE B 43 5.736 15.578 -0.059 1.00 0.00 H new ATOM 0 HD13 ILE B 43 5.168 16.969 -1.013 1.00 0.00 H new ATOM 1847 N LEU B 44 0.959 14.560 2.211 1.00 0.00 N ATOM 1848 CA LEU B 44 -0.368 14.109 1.811 1.00 0.00 C ATOM 1849 C LEU B 44 -0.774 14.803 0.532 1.00 0.00 C ATOM 1850 O LEU B 44 -0.449 15.968 0.327 1.00 0.00 O ATOM 1851 CB LEU B 44 -1.411 14.418 2.881 1.00 0.00 C ATOM 1852 CG LEU B 44 -1.407 13.492 4.081 1.00 0.00 C ATOM 1853 CD1 LEU B 44 -2.419 13.952 5.121 1.00 0.00 C ATOM 1854 CD2 LEU B 44 -1.689 12.059 3.656 1.00 0.00 C ATOM 0 H LEU B 44 1.011 14.946 3.154 1.00 0.00 H new ATOM 0 HA LEU B 44 -0.322 13.029 1.668 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -1.256 15.439 3.231 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -2.399 14.385 2.421 1.00 0.00 H new ATOM 0 HG LEU B 44 -0.415 13.526 4.532 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -2.399 13.273 5.973 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -2.167 14.959 5.453 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -3.417 13.954 4.682 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -1.681 11.411 4.533 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -2.666 12.008 3.175 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -0.922 11.730 2.955 1.00 0.00 H new ATOM 1866 N ARG B 45 -1.510 14.110 -0.311 1.00 0.00 N ATOM 1867 CA ARG B 45 -1.957 14.690 -1.559 1.00 0.00 C ATOM 1868 C ARG B 45 -2.996 15.774 -1.283 1.00 0.00 C ATOM 1869 O ARG B 45 -3.315 16.578 -2.159 1.00 0.00 O ATOM 1870 CB ARG B 45 -2.519 13.604 -2.476 1.00 0.00 C ATOM 1871 CG ARG B 45 -1.908 13.610 -3.869 1.00 0.00 C ATOM 1872 CD ARG B 45 -2.381 14.797 -4.688 1.00 0.00 C ATOM 1873 NE ARG B 45 -3.824 14.745 -4.922 1.00 0.00 N ATOM 1874 CZ ARG B 45 -4.502 15.626 -5.654 1.00 0.00 C ATOM 1875 NH1 ARG B 45 -3.888 16.678 -6.178 1.00 0.00 N ATOM 1876 NH2 ARG B 45 -5.804 15.451 -5.853 1.00 0.00 N ATOM 0 H ARG B 45 -1.810 13.148 -0.156 1.00 0.00 H new ATOM 0 HA ARG B 45 -1.110 15.150 -2.067 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -2.350 12.629 -2.018 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -3.598 13.734 -2.561 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -0.821 13.634 -3.789 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -2.169 12.686 -4.384 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -2.128 15.722 -4.170 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -1.857 14.813 -5.643 1.00 0.00 H new ATOM 0 HE ARG B 45 -4.347 13.981 -4.495 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -2.890 16.816 -6.021 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -4.414 17.349 -6.738 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -6.278 14.645 -5.446 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -6.329 16.123 -6.413 1.00 0.00 H new ATOM 1890 N GLU B 46 -3.491 15.822 -0.046 1.00 0.00 N ATOM 1891 CA GLU B 46 -4.461 16.843 0.338 1.00 0.00 C ATOM 1892 C GLU B 46 -3.759 18.112 0.823 1.00 0.00 C ATOM 1893 O GLU B 46 -4.388 19.158 0.991 1.00 0.00 O ATOM 1894 CB GLU B 46 -5.443 16.328 1.405 1.00 0.00 C ATOM 1895 CG GLU B 46 -4.835 15.411 2.456 1.00 0.00 C ATOM 1896 CD GLU B 46 -4.815 13.956 2.024 1.00 0.00 C ATOM 1897 OE1 GLU B 46 -3.860 13.553 1.336 1.00 0.00 O ATOM 1898 OE2 GLU B 46 -5.756 13.211 2.375 1.00 0.00 O ATOM 0 H GLU B 46 -3.239 15.173 0.699 1.00 0.00 H new ATOM 0 HA GLU B 46 -5.040 17.086 -0.553 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -5.890 17.185 1.909 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -6.252 15.795 0.905 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -3.817 15.736 2.670 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -5.401 15.503 3.383 1.00 0.00 H new ATOM 1905 N ASN B 47 -2.452 18.022 1.033 1.00 0.00 N ATOM 1906 CA ASN B 47 -1.660 19.181 1.442 1.00 0.00 C ATOM 1907 C ASN B 47 -0.519 19.404 0.450 1.00 0.00 C ATOM 1908 O ASN B 47 0.275 20.336 0.573 1.00 0.00 O ATOM 1909 CB ASN B 47 -1.100 18.970 2.854 1.00 0.00 C ATOM 1910 CG ASN B 47 -0.510 20.237 3.449 1.00 0.00 C ATOM 1911 OD1 ASN B 47 -0.965 21.343 3.160 1.00 0.00 O ATOM 1912 ND2 ASN B 47 0.507 20.083 4.282 1.00 0.00 N ATOM 0 H ASN B 47 -1.916 17.161 0.928 1.00 0.00 H new ATOM 0 HA ASN B 47 -2.301 20.063 1.451 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -1.895 18.605 3.504 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -0.332 18.197 2.824 1.00 0.00 H new ATOM 0 HD21 ASN B 47 0.943 20.899 4.711 1.00 0.00 H new ATOM 0 HD22 ASN B 47 0.854 19.148 4.495 1.00 0.00 H new ATOM 1919 N LEU B 48 -0.477 18.545 -0.556 1.00 0.00 N ATOM 1920 CA LEU B 48 0.611 18.525 -1.524 1.00 0.00 C ATOM 1921 C LEU B 48 0.616 19.768 -2.401 1.00 0.00 C ATOM 1922 O LEU B 48 1.643 20.432 -2.541 1.00 0.00 O ATOM 1923 CB LEU B 48 0.482 17.299 -2.420 1.00 0.00 C ATOM 1924 CG LEU B 48 1.559 17.179 -3.490 1.00 0.00 C ATOM 1925 CD1 LEU B 48 2.862 16.688 -2.883 1.00 0.00 C ATOM 1926 CD2 LEU B 48 1.094 16.272 -4.614 1.00 0.00 C ATOM 0 H LEU B 48 -1.196 17.841 -0.726 1.00 0.00 H new ATOM 0 HA LEU B 48 1.544 18.495 -0.961 1.00 0.00 H new ATOM 0 HB2 LEU B 48 0.507 16.405 -1.796 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -0.493 17.322 -2.906 1.00 0.00 H new ATOM 0 HG LEU B 48 1.742 18.166 -3.914 1.00 0.00 H new ATOM 0 HD11 LEU B 48 3.619 16.609 -3.663 1.00 0.00 H new ATOM 0 HD12 LEU B 48 3.197 17.393 -2.122 1.00 0.00 H new ATOM 0 HD13 LEU B 48 2.706 15.710 -2.428 1.00 0.00 H new ATOM 0 HD21 LEU B 48 1.876 16.198 -5.369 1.00 0.00 H new ATOM 0 HD22 LEU B 48 0.879 15.280 -4.216 1.00 0.00 H new ATOM 0 HD23 LEU B 48 0.192 16.685 -5.065 1.00 0.00 H new ATOM 1938 N GLU B 49 -0.543 20.061 -2.982 1.00 0.00 N ATOM 1939 CA GLU B 49 -0.689 21.125 -3.973 1.00 0.00 C ATOM 1940 C GLU B 49 -0.024 22.424 -3.530 1.00 0.00 C ATOM 1941 O GLU B 49 0.813 22.981 -4.245 1.00 0.00 O ATOM 1942 CB GLU B 49 -2.172 21.374 -4.248 1.00 0.00 C ATOM 1943 CG GLU B 49 -2.889 20.177 -4.849 1.00 0.00 C ATOM 1944 CD GLU B 49 -2.356 19.805 -6.218 1.00 0.00 C ATOM 1945 OE1 GLU B 49 -2.419 20.655 -7.134 1.00 0.00 O ATOM 1946 OE2 GLU B 49 -1.890 18.660 -6.392 1.00 0.00 O ATOM 0 H GLU B 49 -1.411 19.566 -2.779 1.00 0.00 H new ATOM 0 HA GLU B 49 -0.188 20.794 -4.883 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -2.664 21.651 -3.316 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -2.270 22.223 -4.925 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -2.787 19.323 -4.179 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -3.954 20.397 -4.925 1.00 0.00 H new ATOM 1953 N ARG B 50 -0.387 22.894 -2.347 1.00 0.00 N ATOM 1954 CA ARG B 50 0.105 24.173 -1.859 1.00 0.00 C ATOM 1955 C ARG B 50 1.546 24.055 -1.361 1.00 0.00 C ATOM 1956 O ARG B 50 2.334 24.990 -1.517 1.00 0.00 O ATOM 1957 CB ARG B 50 -0.824 24.716 -0.760 1.00 0.00 C ATOM 1958 CG ARG B 50 -0.584 26.180 -0.414 1.00 0.00 C ATOM 1959 CD ARG B 50 0.463 26.345 0.675 1.00 0.00 C ATOM 1960 NE ARG B 50 1.064 27.675 0.655 1.00 0.00 N ATOM 1961 CZ ARG B 50 1.116 28.498 1.700 1.00 0.00 C ATOM 1962 NH1 ARG B 50 0.540 28.172 2.850 1.00 0.00 N ATOM 1963 NH2 ARG B 50 1.751 29.658 1.588 1.00 0.00 N ATOM 0 H ARG B 50 -1.019 22.411 -1.708 1.00 0.00 H new ATOM 0 HA ARG B 50 0.105 24.882 -2.687 1.00 0.00 H new ATOM 0 HB2 ARG B 50 -1.859 24.594 -1.080 1.00 0.00 H new ATOM 0 HB3 ARG B 50 -0.696 24.115 0.140 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -0.264 26.716 -1.308 1.00 0.00 H new ATOM 0 HG3 ARG B 50 -1.520 26.633 -0.088 1.00 0.00 H new ATOM 0 HD2 ARG B 50 0.005 26.168 1.648 1.00 0.00 H new ATOM 0 HD3 ARG B 50 1.241 25.593 0.547 1.00 0.00 H new ATOM 0 HE ARG B 50 1.473 27.997 -0.222 1.00 0.00 H new ATOM 0 HH11 ARG B 50 0.050 27.282 2.941 1.00 0.00 H new ATOM 0 HH12 ARG B 50 0.587 28.811 3.643 1.00 0.00 H new ATOM 0 HH21 ARG B 50 2.195 29.913 0.706 1.00 0.00 H new ATOM 0 HH22 ARG B 50 1.795 30.294 2.384 1.00 0.00 H new ATOM 1977 N TYR B 51 1.914 22.909 -0.788 1.00 0.00 N ATOM 1978 CA TYR B 51 3.272 22.754 -0.274 1.00 0.00 C ATOM 1979 C TYR B 51 4.279 22.702 -1.416 1.00 0.00 C ATOM 1980 O TYR B 51 5.358 23.285 -1.323 1.00 0.00 O ATOM 1981 CB TYR B 51 3.423 21.518 0.619 1.00 0.00 C ATOM 1982 CG TYR B 51 4.779 21.469 1.294 1.00 0.00 C ATOM 1983 CD1 TYR B 51 5.167 22.473 2.171 1.00 0.00 C ATOM 1984 CD2 TYR B 51 5.679 20.442 1.037 1.00 0.00 C ATOM 1985 CE1 TYR B 51 6.408 22.457 2.774 1.00 0.00 C ATOM 1986 CE2 TYR B 51 6.923 20.415 1.643 1.00 0.00 C ATOM 1987 CZ TYR B 51 7.283 21.429 2.508 1.00 0.00 C ATOM 1988 OH TYR B 51 8.522 21.416 3.110 1.00 0.00 O ATOM 0 H TYR B 51 1.309 22.096 -0.670 1.00 0.00 H new ATOM 0 HA TYR B 51 3.475 23.629 0.344 1.00 0.00 H new ATOM 0 HB2 TYR B 51 2.640 21.521 1.377 1.00 0.00 H new ATOM 0 HB3 TYR B 51 3.283 20.618 0.020 1.00 0.00 H new ATOM 0 HD1 TYR B 51 4.484 23.282 2.385 1.00 0.00 H new ATOM 0 HD2 TYR B 51 5.403 19.652 0.354 1.00 0.00 H new ATOM 0 HE1 TYR B 51 6.691 23.248 3.452 1.00 0.00 H new ATOM 0 HE2 TYR B 51 7.608 19.605 1.440 1.00 0.00 H new ATOM 0 HH TYR B 51 8.426 21.158 4.051 1.00 0.00 H new ATOM 1998 N LEU B 52 3.927 22.015 -2.498 1.00 0.00 N ATOM 1999 CA LEU B 52 4.766 22.008 -3.689 1.00 0.00 C ATOM 2000 C LEU B 52 4.870 23.410 -4.254 1.00 0.00 C ATOM 2001 O LEU B 52 5.931 23.836 -4.693 1.00 0.00 O ATOM 2002 CB LEU B 52 4.216 21.061 -4.758 1.00 0.00 C ATOM 2003 CG LEU B 52 4.455 19.579 -4.495 1.00 0.00 C ATOM 2004 CD1 LEU B 52 3.937 18.751 -5.660 1.00 0.00 C ATOM 2005 CD2 LEU B 52 5.935 19.319 -4.265 1.00 0.00 C ATOM 0 H LEU B 52 3.074 21.461 -2.574 1.00 0.00 H new ATOM 0 HA LEU B 52 5.755 21.653 -3.399 1.00 0.00 H new ATOM 0 HB2 LEU B 52 3.143 21.229 -4.852 1.00 0.00 H new ATOM 0 HB3 LEU B 52 4.665 21.321 -5.717 1.00 0.00 H new ATOM 0 HG LEU B 52 3.912 19.286 -3.596 1.00 0.00 H new ATOM 0 HD11 LEU B 52 4.113 17.694 -5.462 1.00 0.00 H new ATOM 0 HD12 LEU B 52 2.868 18.924 -5.783 1.00 0.00 H new ATOM 0 HD13 LEU B 52 4.458 19.041 -6.572 1.00 0.00 H new ATOM 0 HD21 LEU B 52 6.093 18.257 -4.078 1.00 0.00 H new ATOM 0 HD22 LEU B 52 6.499 19.620 -5.148 1.00 0.00 H new ATOM 0 HD23 LEU B 52 6.276 19.894 -3.404 1.00 0.00 H new ATOM 2017 N ARG B 53 3.757 24.127 -4.205 1.00 0.00 N ATOM 2018 CA ARG B 53 3.695 25.511 -4.652 1.00 0.00 C ATOM 2019 C ARG B 53 4.752 26.342 -3.917 1.00 0.00 C ATOM 2020 O ARG B 53 5.340 27.266 -4.483 1.00 0.00 O ATOM 2021 CB ARG B 53 2.283 26.058 -4.385 1.00 0.00 C ATOM 2022 CG ARG B 53 1.829 27.156 -5.335 1.00 0.00 C ATOM 2023 CD ARG B 53 2.578 28.454 -5.111 1.00 0.00 C ATOM 2024 NE ARG B 53 2.308 29.039 -3.802 1.00 0.00 N ATOM 2025 CZ ARG B 53 1.727 30.221 -3.620 1.00 0.00 C ATOM 2026 NH1 ARG B 53 1.291 30.927 -4.655 1.00 0.00 N ATOM 2027 NH2 ARG B 53 1.593 30.693 -2.394 1.00 0.00 N ATOM 0 H ARG B 53 2.870 23.765 -3.854 1.00 0.00 H new ATOM 0 HA ARG B 53 3.902 25.570 -5.721 1.00 0.00 H new ATOM 0 HB2 ARG B 53 1.573 25.233 -4.442 1.00 0.00 H new ATOM 0 HB3 ARG B 53 2.245 26.442 -3.365 1.00 0.00 H new ATOM 0 HG2 ARG B 53 1.975 26.827 -6.364 1.00 0.00 H new ATOM 0 HG3 ARG B 53 0.761 27.328 -5.204 1.00 0.00 H new ATOM 0 HD2 ARG B 53 3.648 28.273 -5.210 1.00 0.00 H new ATOM 0 HD3 ARG B 53 2.302 29.167 -5.888 1.00 0.00 H new ATOM 0 HE ARG B 53 2.582 28.508 -2.975 1.00 0.00 H new ATOM 0 HH11 ARG B 53 1.400 30.564 -5.602 1.00 0.00 H new ATOM 0 HH12 ARG B 53 0.847 31.833 -4.504 1.00 0.00 H new ATOM 0 HH21 ARG B 53 1.934 30.152 -1.599 1.00 0.00 H new ATOM 0 HH22 ARG B 53 1.149 31.599 -2.242 1.00 0.00 H new ATOM 2041 N GLU B 54 5.001 25.984 -2.661 1.00 0.00 N ATOM 2042 CA GLU B 54 5.983 26.687 -1.845 1.00 0.00 C ATOM 2043 C GLU B 54 7.394 26.121 -2.024 1.00 0.00 C ATOM 2044 O GLU B 54 8.368 26.873 -2.038 1.00 0.00 O ATOM 2045 CB GLU B 54 5.607 26.610 -0.363 1.00 0.00 C ATOM 2046 CG GLU B 54 4.205 27.103 -0.052 1.00 0.00 C ATOM 2047 CD GLU B 54 3.945 28.511 -0.547 1.00 0.00 C ATOM 2048 OE1 GLU B 54 4.835 29.375 -0.409 1.00 0.00 O ATOM 2049 OE2 GLU B 54 2.836 28.760 -1.066 1.00 0.00 O ATOM 0 H GLU B 54 4.535 25.210 -2.187 1.00 0.00 H new ATOM 0 HA GLU B 54 5.980 27.724 -2.180 1.00 0.00 H new ATOM 0 HB2 GLU B 54 5.699 25.577 -0.029 1.00 0.00 H new ATOM 0 HB3 GLU B 54 6.323 27.196 0.213 1.00 0.00 H new ATOM 0 HG2 GLU B 54 3.480 26.426 -0.504 1.00 0.00 H new ATOM 0 HG3 GLU B 54 4.045 27.068 1.026 1.00 0.00 H new ATOM 2056 N GLN B 55 7.522 24.804 -2.152 1.00 0.00 N ATOM 2057 CA GLN B 55 8.839 24.187 -2.151 1.00 0.00 C ATOM 2058 C GLN B 55 9.333 23.884 -3.563 1.00 0.00 C ATOM 2059 O GLN B 55 10.250 24.551 -4.047 1.00 0.00 O ATOM 2060 CB GLN B 55 8.813 22.903 -1.317 1.00 0.00 C ATOM 2061 CG GLN B 55 10.162 22.207 -1.198 1.00 0.00 C ATOM 2062 CD GLN B 55 11.178 23.006 -0.405 1.00 0.00 C ATOM 2063 OE1 GLN B 55 11.911 23.825 -0.959 1.00 0.00 O ATOM 2064 NE2 GLN B 55 11.235 22.766 0.895 1.00 0.00 N ATOM 0 H GLN B 55 6.742 24.154 -2.256 1.00 0.00 H new ATOM 0 HA GLN B 55 9.535 24.899 -1.708 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.450 23.140 -0.317 1.00 0.00 H new ATOM 0 HB3 GLN B 55 8.097 22.210 -1.760 1.00 0.00 H new ATOM 0 HG2 GLN B 55 10.022 21.236 -0.723 1.00 0.00 H new ATOM 0 HG3 GLN B 55 10.556 22.019 -2.197 1.00 0.00 H new ATOM 0 HE21 GLN B 55 10.609 22.079 1.315 1.00 0.00 H new ATOM 0 HE22 GLN B 55 11.905 23.268 1.477 1.00 0.00 H new ATOM 2073 N LEU B 56 8.682 22.925 -4.242 1.00 0.00 N ATOM 2074 CA LEU B 56 9.205 22.368 -5.500 1.00 0.00 C ATOM 2075 C LEU B 56 10.716 22.174 -5.392 1.00 0.00 C ATOM 2076 O LEU B 56 11.468 22.496 -6.316 1.00 0.00 O ATOM 2077 CB LEU B 56 8.879 23.283 -6.687 1.00 0.00 C ATOM 2078 CG LEU B 56 7.420 23.291 -7.139 1.00 0.00 C ATOM 2079 CD1 LEU B 56 7.217 24.285 -8.270 1.00 0.00 C ATOM 2080 CD2 LEU B 56 6.987 21.901 -7.571 1.00 0.00 C ATOM 0 H LEU B 56 7.795 22.520 -3.942 1.00 0.00 H new ATOM 0 HA LEU B 56 8.726 21.404 -5.672 1.00 0.00 H new ATOM 0 HB2 LEU B 56 9.164 24.302 -6.425 1.00 0.00 H new ATOM 0 HB3 LEU B 56 9.500 22.986 -7.532 1.00 0.00 H new ATOM 0 HG LEU B 56 6.802 23.598 -6.295 1.00 0.00 H new ATOM 0 HD11 LEU B 56 6.172 24.277 -8.579 1.00 0.00 H new ATOM 0 HD12 LEU B 56 7.487 25.284 -7.929 1.00 0.00 H new ATOM 0 HD13 LEU B 56 7.847 24.008 -9.115 1.00 0.00 H new ATOM 0 HD21 LEU B 56 5.945 21.927 -7.889 1.00 0.00 H new ATOM 0 HD22 LEU B 56 7.611 21.566 -8.399 1.00 0.00 H new ATOM 0 HD23 LEU B 56 7.094 21.210 -6.735 1.00 0.00 H new ATOM 2092 N GLY B 57 11.148 21.647 -4.255 1.00 0.00 N ATOM 2093 CA GLY B 57 12.558 21.660 -3.926 1.00 0.00 C ATOM 2094 C GLY B 57 13.241 20.321 -4.076 1.00 0.00 C ATOM 2095 O GLY B 57 14.475 20.265 -4.072 1.00 0.00 O ATOM 0 H GLY B 57 10.547 21.211 -3.555 1.00 0.00 H new ATOM 0 HA2 GLY B 57 13.062 22.386 -4.564 1.00 0.00 H new ATOM 0 HA3 GLY B 57 12.677 22.003 -2.898 1.00 0.00 H new ATOM 2099 N PHE B 58 12.460 19.246 -4.199 1.00 0.00 N ATOM 2100 CA PHE B 58 13.020 17.897 -4.313 1.00 0.00 C ATOM 2101 C PHE B 58 13.872 17.603 -3.079 1.00 0.00 C ATOM 2102 O PHE B 58 13.699 18.221 -2.024 1.00 0.00 O ATOM 2103 CB PHE B 58 13.912 17.766 -5.565 1.00 0.00 C ATOM 2104 CG PHE B 58 13.252 18.090 -6.879 1.00 0.00 C ATOM 2105 CD1 PHE B 58 12.867 19.386 -7.185 1.00 0.00 C ATOM 2106 CD2 PHE B 58 13.058 17.098 -7.824 1.00 0.00 C ATOM 2107 CE1 PHE B 58 12.296 19.683 -8.407 1.00 0.00 C ATOM 2108 CE2 PHE B 58 12.483 17.389 -9.044 1.00 0.00 C ATOM 2109 CZ PHE B 58 12.104 18.683 -9.336 1.00 0.00 C ATOM 0 H PHE B 58 11.441 19.282 -4.222 1.00 0.00 H new ATOM 0 HA PHE B 58 12.193 17.191 -4.394 1.00 0.00 H new ATOM 0 HB2 PHE B 58 14.775 18.421 -5.443 1.00 0.00 H new ATOM 0 HB3 PHE B 58 14.291 16.745 -5.613 1.00 0.00 H new ATOM 0 HD1 PHE B 58 13.015 20.172 -6.460 1.00 0.00 H new ATOM 0 HD2 PHE B 58 13.360 16.085 -7.604 1.00 0.00 H new ATOM 0 HE1 PHE B 58 12.001 20.697 -8.634 1.00 0.00 H new ATOM 0 HE2 PHE B 58 12.330 16.604 -9.770 1.00 0.00 H new ATOM 0 HZ PHE B 58 11.657 18.912 -10.292 1.00 0.00 H new ATOM 2119 N GLU B 59 14.782 16.653 -3.204 1.00 0.00 N ATOM 2120 CA GLU B 59 15.877 16.553 -2.258 1.00 0.00 C ATOM 2121 C GLU B 59 17.157 16.882 -3.004 1.00 0.00 C ATOM 2122 O GLU B 59 17.689 16.059 -3.753 1.00 0.00 O ATOM 2123 CB GLU B 59 15.952 15.165 -1.619 1.00 0.00 C ATOM 2124 CG GLU B 59 17.108 14.995 -0.642 1.00 0.00 C ATOM 2125 CD GLU B 59 17.061 15.974 0.515 1.00 0.00 C ATOM 2126 OE1 GLU B 59 17.468 17.139 0.328 1.00 0.00 O ATOM 2127 OE2 GLU B 59 16.651 15.576 1.626 1.00 0.00 O ATOM 0 H GLU B 59 14.785 15.949 -3.942 1.00 0.00 H new ATOM 0 HA GLU B 59 15.722 17.255 -1.438 1.00 0.00 H new ATOM 0 HB2 GLU B 59 15.016 14.965 -1.097 1.00 0.00 H new ATOM 0 HB3 GLU B 59 16.043 14.418 -2.407 1.00 0.00 H new ATOM 0 HG2 GLU B 59 17.097 13.978 -0.250 1.00 0.00 H new ATOM 0 HG3 GLU B 59 18.049 15.120 -1.177 1.00 0.00 H new ATOM 2134 N PHE B 60 17.636 18.094 -2.806 1.00 0.00 N ATOM 2135 CA PHE B 60 18.725 18.617 -3.604 1.00 0.00 C ATOM 2136 C PHE B 60 20.018 18.577 -2.813 1.00 0.00 C ATOM 2137 O PHE B 60 20.221 19.369 -1.893 1.00 0.00 O ATOM 2138 CB PHE B 60 18.411 20.052 -4.032 1.00 0.00 C ATOM 2139 CG PHE B 60 19.058 20.460 -5.324 1.00 0.00 C ATOM 2140 CD1 PHE B 60 20.375 20.885 -5.358 1.00 0.00 C ATOM 2141 CD2 PHE B 60 18.338 20.419 -6.508 1.00 0.00 C ATOM 2142 CE1 PHE B 60 20.966 21.259 -6.550 1.00 0.00 C ATOM 2143 CE2 PHE B 60 18.921 20.792 -7.702 1.00 0.00 C ATOM 2144 CZ PHE B 60 20.237 21.215 -7.724 1.00 0.00 C ATOM 0 H PHE B 60 17.286 18.737 -2.096 1.00 0.00 H new ATOM 0 HA PHE B 60 18.842 17.999 -4.494 1.00 0.00 H new ATOM 0 HB2 PHE B 60 17.331 20.164 -4.127 1.00 0.00 H new ATOM 0 HB3 PHE B 60 18.734 20.734 -3.245 1.00 0.00 H new ATOM 0 HD1 PHE B 60 20.947 20.925 -4.443 1.00 0.00 H new ATOM 0 HD2 PHE B 60 17.309 20.091 -6.496 1.00 0.00 H new ATOM 0 HE1 PHE B 60 21.995 21.585 -6.564 1.00 0.00 H new ATOM 0 HE2 PHE B 60 18.350 20.754 -8.618 1.00 0.00 H new ATOM 0 HZ PHE B 60 20.695 21.511 -8.656 1.00 0.00 H new ATOM 2154 N LYS B 61 20.889 17.649 -3.162 1.00 0.00 N ATOM 2155 CA LYS B 61 22.143 17.496 -2.452 1.00 0.00 C ATOM 2156 C LYS B 61 23.300 18.048 -3.270 1.00 0.00 C ATOM 2157 O LYS B 61 23.269 18.052 -4.500 1.00 0.00 O ATOM 2158 CB LYS B 61 22.401 16.025 -2.116 1.00 0.00 C ATOM 2159 CG LYS B 61 21.354 15.405 -1.202 1.00 0.00 C ATOM 2160 CD LYS B 61 21.260 16.144 0.122 1.00 0.00 C ATOM 2161 CE LYS B 61 20.335 15.431 1.092 1.00 0.00 C ATOM 2162 NZ LYS B 61 20.126 16.212 2.340 1.00 0.00 N ATOM 0 H LYS B 61 20.751 16.992 -3.930 1.00 0.00 H new ATOM 0 HA LYS B 61 22.069 18.062 -1.523 1.00 0.00 H new ATOM 0 HB2 LYS B 61 22.443 15.453 -3.043 1.00 0.00 H new ATOM 0 HB3 LYS B 61 23.379 15.937 -1.643 1.00 0.00 H new ATOM 0 HG2 LYS B 61 20.383 15.420 -1.697 1.00 0.00 H new ATOM 0 HG3 LYS B 61 21.603 14.360 -1.019 1.00 0.00 H new ATOM 0 HD2 LYS B 61 22.253 16.232 0.562 1.00 0.00 H new ATOM 0 HD3 LYS B 61 20.897 17.157 -0.050 1.00 0.00 H new ATOM 0 HE2 LYS B 61 19.373 15.253 0.611 1.00 0.00 H new ATOM 0 HE3 LYS B 61 20.753 14.456 1.341 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 19.489 15.689 2.974 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 21.040 16.361 2.814 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 19.703 17.133 2.106 1.00 0.00 H new ATOM 2176 N ASN B 62 24.306 18.525 -2.568 1.00 0.00 N ATOM 2177 CA ASN B 62 25.526 19.005 -3.186 1.00 0.00 C ATOM 2178 C ASN B 62 26.696 18.494 -2.366 1.00 0.00 C ATOM 2179 O ASN B 62 26.617 18.461 -1.136 1.00 0.00 O ATOM 2180 CB ASN B 62 25.531 20.539 -3.237 1.00 0.00 C ATOM 2181 CG ASN B 62 26.710 21.100 -4.011 1.00 0.00 C ATOM 2182 OD1 ASN B 62 27.773 21.357 -3.448 1.00 0.00 O ATOM 2183 ND2 ASN B 62 26.528 21.311 -5.305 1.00 0.00 N ATOM 0 H ASN B 62 24.302 18.591 -1.550 1.00 0.00 H new ATOM 0 HA ASN B 62 25.600 18.641 -4.211 1.00 0.00 H new ATOM 0 HB2 ASN B 62 24.604 20.885 -3.695 1.00 0.00 H new ATOM 0 HB3 ASN B 62 25.550 20.931 -2.220 1.00 0.00 H new ATOM 0 HD21 ASN B 62 27.284 21.699 -5.870 1.00 0.00 H new ATOM 0 HD22 ASN B 62 25.632 21.085 -5.737 1.00 0.00 H new ATOM 2190 N ALA B 63 27.769 18.079 -3.024 1.00 0.00 N ATOM 2191 CA ALA B 63 28.897 17.485 -2.317 1.00 0.00 C ATOM 2192 C ALA B 63 29.661 18.536 -1.517 1.00 0.00 C ATOM 2193 O ALA B 63 30.496 18.202 -0.675 1.00 0.00 O ATOM 2194 CB ALA B 63 29.817 16.767 -3.289 1.00 0.00 C ATOM 0 H ALA B 63 27.883 18.141 -4.036 1.00 0.00 H new ATOM 0 HA ALA B 63 28.506 16.752 -1.611 1.00 0.00 H new ATOM 0 HB1 ALA B 63 30.653 16.330 -2.743 1.00 0.00 H new ATOM 0 HB2 ALA B 63 29.264 15.978 -3.798 1.00 0.00 H new ATOM 0 HB3 ALA B 63 30.195 17.477 -4.024 1.00 0.00 H new ATOM 2200 N GLN B 64 29.363 19.807 -1.789 1.00 0.00 N ATOM 2201 CA GLN B 64 29.937 20.931 -1.047 1.00 0.00 C ATOM 2202 C GLN B 64 31.454 20.965 -1.168 1.00 0.00 C ATOM 2203 O GLN B 64 32.147 21.511 -0.305 1.00 0.00 O ATOM 2204 CB GLN B 64 29.517 20.866 0.426 1.00 0.00 C ATOM 2205 CG GLN B 64 28.027 21.088 0.639 1.00 0.00 C ATOM 2206 CD GLN B 64 27.588 22.489 0.266 1.00 0.00 C ATOM 2207 OE1 GLN B 64 26.471 22.698 -0.203 1.00 0.00 O ATOM 2208 NE2 GLN B 64 28.454 23.465 0.498 1.00 0.00 N ATOM 0 H GLN B 64 28.718 20.086 -2.528 1.00 0.00 H new ATOM 0 HA GLN B 64 29.551 21.852 -1.485 1.00 0.00 H new ATOM 0 HB2 GLN B 64 29.794 19.893 0.833 1.00 0.00 H new ATOM 0 HB3 GLN B 64 30.073 21.616 0.988 1.00 0.00 H new ATOM 0 HG2 GLN B 64 27.467 20.366 0.045 1.00 0.00 H new ATOM 0 HG3 GLN B 64 27.781 20.900 1.684 1.00 0.00 H new ATOM 0 HE21 GLN B 64 29.372 23.251 0.888 1.00 0.00 H new ATOM 0 HE22 GLN B 64 28.203 24.431 0.286 1.00 0.00 H new ATOM 2217 N LEU B 65 31.964 20.406 -2.255 1.00 0.00 N ATOM 2218 CA LEU B 65 33.393 20.396 -2.504 1.00 0.00 C ATOM 2219 C LEU B 65 33.859 21.777 -2.950 1.00 0.00 C ATOM 2220 O LEU B 65 34.017 22.044 -4.142 1.00 0.00 O ATOM 2221 CB LEU B 65 33.752 19.336 -3.550 1.00 0.00 C ATOM 2222 CG LEU B 65 33.384 17.900 -3.172 1.00 0.00 C ATOM 2223 CD1 LEU B 65 33.755 16.939 -4.291 1.00 0.00 C ATOM 2224 CD2 LEU B 65 34.071 17.495 -1.875 1.00 0.00 C ATOM 0 H LEU B 65 31.406 19.953 -2.979 1.00 0.00 H new ATOM 0 HA LEU B 65 33.906 20.141 -1.577 1.00 0.00 H new ATOM 0 HB2 LEU B 65 33.253 19.588 -4.486 1.00 0.00 H new ATOM 0 HB3 LEU B 65 34.825 19.382 -3.738 1.00 0.00 H new ATOM 0 HG LEU B 65 32.306 17.853 -3.021 1.00 0.00 H new ATOM 0 HD11 LEU B 65 33.485 15.923 -4.003 1.00 0.00 H new ATOM 0 HD12 LEU B 65 33.218 17.213 -5.199 1.00 0.00 H new ATOM 0 HD13 LEU B 65 34.828 16.991 -4.475 1.00 0.00 H new ATOM 0 HD21 LEU B 65 33.797 16.471 -1.623 1.00 0.00 H new ATOM 0 HD22 LEU B 65 35.152 17.561 -2.000 1.00 0.00 H new ATOM 0 HD23 LEU B 65 33.757 18.163 -1.073 1.00 0.00 H new