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 43:sc= 1.47 USER MOD Set 1.2: B 55 GLN : amide:sc= 0.233 X(o=1.7,f=1.3) USER MOD Set 2.1: A 25 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 47 ASN : amide:sc= -0.3 K(o=-0.3,f=-4.6!) USER MOD Set 3.1: A 21 GLN : amide:sc= 0.778 K(o=0.78,f=-1.4) USER MOD Set 3.2: A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -61:sc= 0.79 USER MOD Single : A 51 TYR OH : rot 79:sc= 0.187 USER MOD Single : A 55 GLN : amide:sc= 0.442 X(o=0.44,f=-0.016) USER MOD Single : A 61 LYS NZ :NH3+ -177:sc= 1.3 (180deg=1.19) USER MOD Single : A 62 ASN : amide:sc= -0.107 X(o=-0.11,f=-0.11) USER MOD Single : B 21 GLN : amide:sc= -1.9 K(o=-1.9,f=-8.1!) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 THR OG1 : rot -55:sc= 1.26 USER MOD Single : B 35 TYR OH : rot 180:sc= -1.04! USER MOD Single : B 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 62 ASN : amide:sc= 1.02 K(o=1,f=-3.8!) USER MOD Single : B 64 GLN : amide:sc= -0.0716 K(o=-0.072,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 297 N ASP A 19 29.122 4.597 3.095 1.00 0.00 N ATOM 298 CA ASP A 19 28.247 5.647 2.573 1.00 0.00 C ATOM 299 C ASP A 19 28.417 5.769 1.064 1.00 0.00 C ATOM 300 O ASP A 19 28.095 6.796 0.466 1.00 0.00 O ATOM 301 CB ASP A 19 28.546 6.993 3.241 1.00 0.00 C ATOM 302 CG ASP A 19 28.197 7.010 4.713 1.00 0.00 C ATOM 303 OD1 ASP A 19 27.036 7.327 5.058 1.00 0.00 O ATOM 304 OD2 ASP A 19 29.083 6.709 5.544 1.00 0.00 O ATOM 0 HA ASP A 19 27.216 5.373 2.798 1.00 0.00 H new ATOM 0 HB2 ASP A 19 29.604 7.225 3.121 1.00 0.00 H new ATOM 0 HB3 ASP A 19 27.987 7.778 2.731 1.00 0.00 H new ATOM 309 N VAL A 20 28.922 4.707 0.455 1.00 0.00 N ATOM 310 CA VAL A 20 29.145 4.676 -0.977 1.00 0.00 C ATOM 311 C VAL A 20 27.842 4.349 -1.696 1.00 0.00 C ATOM 312 O VAL A 20 27.488 3.181 -1.871 1.00 0.00 O ATOM 313 CB VAL A 20 30.218 3.635 -1.353 1.00 0.00 C ATOM 314 CG1 VAL A 20 30.718 3.866 -2.770 1.00 0.00 C ATOM 315 CG2 VAL A 20 31.365 3.663 -0.351 1.00 0.00 C ATOM 0 H VAL A 20 29.186 3.849 0.939 1.00 0.00 H new ATOM 0 HA VAL A 20 29.499 5.660 -1.285 1.00 0.00 H new ATOM 0 HB VAL A 20 29.766 2.644 -1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 20 31.475 3.120 -3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 20 29.885 3.781 -3.468 1.00 0.00 H new ATOM 0 HG13 VAL A 20 31.153 4.863 -2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 20 32.113 2.922 -0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 20 31.820 4.653 -0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 20 30.984 3.434 0.644 1.00 0.00 H new ATOM 325 N GLN A 21 27.115 5.387 -2.075 1.00 0.00 N ATOM 326 CA GLN A 21 25.827 5.218 -2.725 1.00 0.00 C ATOM 327 C GLN A 21 26.009 5.100 -4.233 1.00 0.00 C ATOM 328 O GLN A 21 27.085 5.374 -4.765 1.00 0.00 O ATOM 329 CB GLN A 21 24.907 6.399 -2.393 1.00 0.00 C ATOM 330 CG GLN A 21 25.383 7.714 -2.980 1.00 0.00 C ATOM 331 CD GLN A 21 24.630 8.908 -2.441 1.00 0.00 C ATOM 332 OE1 GLN A 21 23.460 8.811 -2.076 1.00 0.00 O ATOM 333 NE2 GLN A 21 25.301 10.045 -2.393 1.00 0.00 N ATOM 0 H GLN A 21 27.396 6.358 -1.943 1.00 0.00 H new ATOM 0 HA GLN A 21 25.367 4.301 -2.356 1.00 0.00 H new ATOM 0 HB2 GLN A 21 23.905 6.185 -2.764 1.00 0.00 H new ATOM 0 HB3 GLN A 21 24.832 6.499 -1.310 1.00 0.00 H new ATOM 0 HG2 GLN A 21 26.445 7.836 -2.769 1.00 0.00 H new ATOM 0 HG3 GLN A 21 25.275 7.682 -4.064 1.00 0.00 H new ATOM 0 HE21 GLN A 21 26.271 10.078 -2.707 1.00 0.00 H new ATOM 0 HE22 GLN A 21 24.849 10.889 -2.042 1.00 0.00 H new ATOM 342 N ILE A 22 24.960 4.682 -4.916 1.00 0.00 N ATOM 343 CA ILE A 22 24.988 4.574 -6.362 1.00 0.00 C ATOM 344 C ILE A 22 23.697 5.134 -6.939 1.00 0.00 C ATOM 345 O ILE A 22 22.651 5.076 -6.294 1.00 0.00 O ATOM 346 CB ILE A 22 25.164 3.111 -6.834 1.00 0.00 C ATOM 347 CG1 ILE A 22 26.405 2.474 -6.209 1.00 0.00 C ATOM 348 CG2 ILE A 22 25.270 3.058 -8.347 1.00 0.00 C ATOM 349 CD1 ILE A 22 26.689 1.086 -6.743 1.00 0.00 C ATOM 0 H ILE A 22 24.074 4.411 -4.490 1.00 0.00 H new ATOM 0 HA ILE A 22 25.845 5.146 -6.717 1.00 0.00 H new ATOM 0 HB ILE A 22 24.288 2.548 -6.511 1.00 0.00 H new ATOM 0 HG12 ILE A 22 27.268 3.113 -6.396 1.00 0.00 H new ATOM 0 HG13 ILE A 22 26.275 2.422 -5.128 1.00 0.00 H new ATOM 0 HG21 ILE A 22 25.394 2.023 -8.667 1.00 0.00 H new ATOM 0 HG22 ILE A 22 24.363 3.469 -8.790 1.00 0.00 H new ATOM 0 HG23 ILE A 22 26.130 3.644 -8.672 1.00 0.00 H new ATOM 0 HD11 ILE A 22 27.582 0.687 -6.262 1.00 0.00 H new ATOM 0 HD12 ILE A 22 25.841 0.435 -6.533 1.00 0.00 H new ATOM 0 HD13 ILE A 22 26.849 1.136 -7.820 1.00 0.00 H new ATOM 361 N ASP A 23 23.780 5.688 -8.140 1.00 0.00 N ATOM 362 CA ASP A 23 22.620 6.234 -8.817 1.00 0.00 C ATOM 363 C ASP A 23 21.739 5.113 -9.365 1.00 0.00 C ATOM 364 O ASP A 23 22.051 3.930 -9.224 1.00 0.00 O ATOM 365 CB ASP A 23 23.064 7.141 -9.965 1.00 0.00 C ATOM 366 CG ASP A 23 23.662 6.354 -11.113 1.00 0.00 C ATOM 367 OD1 ASP A 23 24.688 5.672 -10.901 1.00 0.00 O ATOM 368 OD2 ASP A 23 23.096 6.399 -12.220 1.00 0.00 O ATOM 0 H ASP A 23 24.649 5.770 -8.667 1.00 0.00 H new ATOM 0 HA ASP A 23 22.044 6.814 -8.096 1.00 0.00 H new ATOM 0 HB2 ASP A 23 22.210 7.714 -10.325 1.00 0.00 H new ATOM 0 HB3 ASP A 23 23.797 7.859 -9.597 1.00 0.00 H new ATOM 373 N PHE A 24 20.649 5.510 -10.004 1.00 0.00 N ATOM 374 CA PHE A 24 19.674 4.586 -10.566 1.00 0.00 C ATOM 375 C PHE A 24 20.310 3.637 -11.580 1.00 0.00 C ATOM 376 O PHE A 24 19.944 2.463 -11.654 1.00 0.00 O ATOM 377 CB PHE A 24 18.550 5.391 -11.230 1.00 0.00 C ATOM 378 CG PHE A 24 17.471 4.553 -11.857 1.00 0.00 C ATOM 379 CD1 PHE A 24 16.405 4.098 -11.101 1.00 0.00 C ATOM 380 CD2 PHE A 24 17.520 4.231 -13.205 1.00 0.00 C ATOM 381 CE1 PHE A 24 15.407 3.335 -11.676 1.00 0.00 C ATOM 382 CE2 PHE A 24 16.526 3.468 -13.787 1.00 0.00 C ATOM 383 CZ PHE A 24 15.469 3.018 -13.021 1.00 0.00 C ATOM 0 H PHE A 24 20.414 6.492 -10.149 1.00 0.00 H new ATOM 0 HA PHE A 24 19.273 3.974 -9.758 1.00 0.00 H new ATOM 0 HB2 PHE A 24 18.098 6.044 -10.484 1.00 0.00 H new ATOM 0 HB3 PHE A 24 18.984 6.034 -11.995 1.00 0.00 H new ATOM 0 HD1 PHE A 24 16.353 4.342 -10.050 1.00 0.00 H new ATOM 0 HD2 PHE A 24 18.345 4.581 -13.807 1.00 0.00 H new ATOM 0 HE1 PHE A 24 14.579 2.986 -11.076 1.00 0.00 H new ATOM 0 HE2 PHE A 24 16.576 3.224 -14.838 1.00 0.00 H new ATOM 0 HZ PHE A 24 14.691 2.419 -13.472 1.00 0.00 H new ATOM 393 N TYR A 25 21.275 4.137 -12.341 1.00 0.00 N ATOM 394 CA TYR A 25 21.825 3.385 -13.459 1.00 0.00 C ATOM 395 C TYR A 25 22.927 2.424 -13.016 1.00 0.00 C ATOM 396 O TYR A 25 23.333 1.547 -13.780 1.00 0.00 O ATOM 397 CB TYR A 25 22.344 4.344 -14.533 1.00 0.00 C ATOM 398 CG TYR A 25 21.275 5.264 -15.086 1.00 0.00 C ATOM 399 CD1 TYR A 25 20.994 6.481 -14.477 1.00 0.00 C ATOM 400 CD2 TYR A 25 20.542 4.912 -16.213 1.00 0.00 C ATOM 401 CE1 TYR A 25 20.017 7.321 -14.977 1.00 0.00 C ATOM 402 CE2 TYR A 25 19.565 5.748 -16.721 1.00 0.00 C ATOM 403 CZ TYR A 25 19.307 6.950 -16.097 1.00 0.00 C ATOM 404 OH TYR A 25 18.334 7.787 -16.598 1.00 0.00 O ATOM 0 H TYR A 25 21.692 5.058 -12.204 1.00 0.00 H new ATOM 0 HA TYR A 25 21.022 2.780 -13.879 1.00 0.00 H new ATOM 0 HB2 TYR A 25 23.149 4.946 -14.113 1.00 0.00 H new ATOM 0 HB3 TYR A 25 22.772 3.764 -15.351 1.00 0.00 H new ATOM 0 HD1 TYR A 25 21.548 6.775 -13.598 1.00 0.00 H new ATOM 0 HD2 TYR A 25 20.739 3.969 -16.701 1.00 0.00 H new ATOM 0 HE1 TYR A 25 19.811 8.264 -14.492 1.00 0.00 H new ATOM 0 HE2 TYR A 25 19.008 5.461 -17.601 1.00 0.00 H new ATOM 0 HH TYR A 25 17.928 7.379 -17.391 1.00 0.00 H new ATOM 414 N GLY A 26 23.414 2.579 -11.789 1.00 0.00 N ATOM 415 CA GLY A 26 24.382 1.643 -11.266 1.00 0.00 C ATOM 416 C GLY A 26 25.811 2.013 -11.606 1.00 0.00 C ATOM 417 O GLY A 26 26.615 1.145 -11.942 1.00 0.00 O ATOM 0 H GLY A 26 23.155 3.333 -11.153 1.00 0.00 H new ATOM 0 HA2 GLY A 26 24.276 1.587 -10.183 1.00 0.00 H new ATOM 0 HA3 GLY A 26 24.167 0.649 -11.659 1.00 0.00 H new ATOM 421 N ASP A 27 26.130 3.299 -11.527 1.00 0.00 N ATOM 422 CA ASP A 27 27.501 3.749 -11.728 1.00 0.00 C ATOM 423 C ASP A 27 28.230 3.761 -10.386 1.00 0.00 C ATOM 424 O ASP A 27 28.682 2.717 -9.909 1.00 0.00 O ATOM 425 CB ASP A 27 27.523 5.143 -12.374 1.00 0.00 C ATOM 426 CG ASP A 27 28.885 5.521 -12.923 1.00 0.00 C ATOM 427 OD1 ASP A 27 29.717 6.059 -12.166 1.00 0.00 O ATOM 428 OD2 ASP A 27 29.124 5.293 -14.127 1.00 0.00 O ATOM 0 H ASP A 27 25.463 4.044 -11.327 1.00 0.00 H new ATOM 0 HA ASP A 27 28.010 3.062 -12.404 1.00 0.00 H new ATOM 0 HB2 ASP A 27 26.791 5.175 -13.181 1.00 0.00 H new ATOM 0 HB3 ASP A 27 27.217 5.884 -11.636 1.00 0.00 H new ATOM 433 N GLU A 28 28.304 4.938 -9.770 1.00 0.00 N ATOM 434 CA GLU A 28 28.857 5.104 -8.429 1.00 0.00 C ATOM 435 C GLU A 28 28.799 6.576 -8.046 1.00 0.00 C ATOM 436 O GLU A 28 29.266 7.433 -8.796 1.00 0.00 O ATOM 437 CB GLU A 28 30.307 4.613 -8.342 1.00 0.00 C ATOM 438 CG GLU A 28 30.821 4.527 -6.914 1.00 0.00 C ATOM 439 CD GLU A 28 32.310 4.244 -6.832 1.00 0.00 C ATOM 440 OE1 GLU A 28 32.692 3.057 -6.805 1.00 0.00 O ATOM 441 OE2 GLU A 28 33.103 5.206 -6.785 1.00 0.00 O ATOM 0 H GLU A 28 27.980 5.809 -10.190 1.00 0.00 H new ATOM 0 HA GLU A 28 28.261 4.503 -7.742 1.00 0.00 H new ATOM 0 HB2 GLU A 28 30.381 3.631 -8.808 1.00 0.00 H new ATOM 0 HB3 GLU A 28 30.947 5.286 -8.913 1.00 0.00 H new ATOM 0 HG2 GLU A 28 30.607 5.464 -6.400 1.00 0.00 H new ATOM 0 HG3 GLU A 28 30.279 3.743 -6.386 1.00 0.00 H new ATOM 448 N VAL A 29 28.216 6.874 -6.894 1.00 0.00 N ATOM 449 CA VAL A 29 28.086 8.255 -6.451 1.00 0.00 C ATOM 450 C VAL A 29 28.737 8.442 -5.086 1.00 0.00 C ATOM 451 O VAL A 29 28.228 7.977 -4.068 1.00 0.00 O ATOM 452 CB VAL A 29 26.608 8.703 -6.383 1.00 0.00 C ATOM 453 CG1 VAL A 29 26.511 10.193 -6.100 1.00 0.00 C ATOM 454 CG2 VAL A 29 25.877 8.363 -7.672 1.00 0.00 C ATOM 0 H VAL A 29 27.827 6.183 -6.252 1.00 0.00 H new ATOM 0 HA VAL A 29 28.596 8.876 -7.188 1.00 0.00 H new ATOM 0 HB VAL A 29 26.131 8.162 -5.566 1.00 0.00 H new ATOM 0 HG11 VAL A 29 25.462 10.488 -6.056 1.00 0.00 H new ATOM 0 HG12 VAL A 29 26.990 10.414 -5.146 1.00 0.00 H new ATOM 0 HG13 VAL A 29 27.011 10.747 -6.894 1.00 0.00 H new ATOM 0 HG21 VAL A 29 24.839 8.688 -7.599 1.00 0.00 H new ATOM 0 HG22 VAL A 29 26.358 8.871 -8.508 1.00 0.00 H new ATOM 0 HG23 VAL A 29 25.909 7.286 -7.835 1.00 0.00 H new ATOM 464 N THR A 30 29.875 9.105 -5.077 1.00 0.00 N ATOM 465 CA THR A 30 30.587 9.377 -3.842 1.00 0.00 C ATOM 466 C THR A 30 30.273 10.792 -3.358 1.00 0.00 C ATOM 467 O THR A 30 29.670 11.575 -4.089 1.00 0.00 O ATOM 468 CB THR A 30 32.109 9.195 -4.036 1.00 0.00 C ATOM 469 OG1 THR A 30 32.590 10.044 -5.084 1.00 0.00 O ATOM 470 CG2 THR A 30 32.439 7.746 -4.364 1.00 0.00 C ATOM 0 H THR A 30 30.330 9.468 -5.915 1.00 0.00 H new ATOM 0 HA THR A 30 30.256 8.665 -3.086 1.00 0.00 H new ATOM 0 HB THR A 30 32.600 9.469 -3.102 1.00 0.00 H new ATOM 0 HG1 THR A 30 32.146 9.809 -5.925 1.00 0.00 H new ATOM 0 HG21 THR A 30 33.516 7.639 -4.497 1.00 0.00 H new ATOM 0 HG22 THR A 30 32.109 7.104 -3.548 1.00 0.00 H new ATOM 0 HG23 THR A 30 31.930 7.456 -5.283 1.00 0.00 H new ATOM 478 N PRO A 31 30.650 11.132 -2.113 1.00 0.00 N ATOM 479 CA PRO A 31 30.443 12.481 -1.549 1.00 0.00 C ATOM 480 C PRO A 31 31.073 13.601 -2.383 1.00 0.00 C ATOM 481 O PRO A 31 30.817 14.776 -2.139 1.00 0.00 O ATOM 482 CB PRO A 31 31.117 12.405 -0.175 1.00 0.00 C ATOM 483 CG PRO A 31 31.131 10.956 0.169 1.00 0.00 C ATOM 484 CD PRO A 31 31.262 10.216 -1.134 1.00 0.00 C ATOM 0 HA PRO A 31 29.382 12.729 -1.517 1.00 0.00 H new ATOM 0 HB2 PRO A 31 32.127 12.812 -0.208 1.00 0.00 H new ATOM 0 HB3 PRO A 31 30.565 12.981 0.568 1.00 0.00 H new ATOM 0 HG2 PRO A 31 31.962 10.722 0.835 1.00 0.00 H new ATOM 0 HG3 PRO A 31 30.216 10.670 0.688 1.00 0.00 H new ATOM 0 HD2 PRO A 31 32.305 10.009 -1.375 1.00 0.00 H new ATOM 0 HD3 PRO A 31 30.745 9.257 -1.104 1.00 0.00 H new ATOM 492 N VAL A 32 31.892 13.243 -3.361 1.00 0.00 N ATOM 493 CA VAL A 32 32.512 14.237 -4.224 1.00 0.00 C ATOM 494 C VAL A 32 31.851 14.256 -5.602 1.00 0.00 C ATOM 495 O VAL A 32 32.340 14.901 -6.530 1.00 0.00 O ATOM 496 CB VAL A 32 34.031 14.002 -4.366 1.00 0.00 C ATOM 497 CG1 VAL A 32 34.724 14.173 -3.022 1.00 0.00 C ATOM 498 CG2 VAL A 32 34.317 12.623 -4.934 1.00 0.00 C ATOM 0 H VAL A 32 32.141 12.278 -3.576 1.00 0.00 H new ATOM 0 HA VAL A 32 32.364 15.208 -3.751 1.00 0.00 H new ATOM 0 HB VAL A 32 34.424 14.745 -5.060 1.00 0.00 H new ATOM 0 HG11 VAL A 32 35.794 14.004 -3.140 1.00 0.00 H new ATOM 0 HG12 VAL A 32 34.555 15.184 -2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 32 34.320 13.454 -2.310 1.00 0.00 H new ATOM 0 HG21 VAL A 32 35.394 12.483 -5.024 1.00 0.00 H new ATOM 0 HG22 VAL A 32 33.906 11.863 -4.269 1.00 0.00 H new ATOM 0 HG23 VAL A 32 33.856 12.532 -5.917 1.00 0.00 H new ATOM 508 N ASP A 33 30.728 13.553 -5.722 1.00 0.00 N ATOM 509 CA ASP A 33 29.951 13.545 -6.957 1.00 0.00 C ATOM 510 C ASP A 33 28.687 14.374 -6.780 1.00 0.00 C ATOM 511 O ASP A 33 28.107 14.408 -5.694 1.00 0.00 O ATOM 512 CB ASP A 33 29.558 12.121 -7.368 1.00 0.00 C ATOM 513 CG ASP A 33 30.727 11.287 -7.843 1.00 0.00 C ATOM 514 OD1 ASP A 33 31.275 11.580 -8.925 1.00 0.00 O ATOM 515 OD2 ASP A 33 31.097 10.320 -7.145 1.00 0.00 O ATOM 0 H ASP A 33 30.335 12.980 -4.976 1.00 0.00 H new ATOM 0 HA ASP A 33 30.576 13.972 -7.741 1.00 0.00 H new ATOM 0 HB2 ASP A 33 29.087 11.623 -6.520 1.00 0.00 H new ATOM 0 HB3 ASP A 33 28.812 12.173 -8.161 1.00 0.00 H new ATOM 520 N ASP A 34 28.265 15.038 -7.842 1.00 0.00 N ATOM 521 CA ASP A 34 27.047 15.834 -7.809 1.00 0.00 C ATOM 522 C ASP A 34 25.857 14.965 -8.197 1.00 0.00 C ATOM 523 O ASP A 34 25.853 14.341 -9.261 1.00 0.00 O ATOM 524 CB ASP A 34 27.152 17.040 -8.751 1.00 0.00 C ATOM 525 CG ASP A 34 28.345 17.929 -8.445 1.00 0.00 C ATOM 526 OD1 ASP A 34 28.355 18.584 -7.382 1.00 0.00 O ATOM 527 OD2 ASP A 34 29.279 17.980 -9.278 1.00 0.00 O ATOM 0 H ASP A 34 28.748 15.043 -8.740 1.00 0.00 H new ATOM 0 HA ASP A 34 26.906 16.210 -6.796 1.00 0.00 H new ATOM 0 HB2 ASP A 34 27.224 16.686 -9.779 1.00 0.00 H new ATOM 0 HB3 ASP A 34 26.238 17.630 -8.680 1.00 0.00 H new ATOM 532 N TYR A 35 24.853 14.921 -7.335 1.00 0.00 N ATOM 533 CA TYR A 35 23.699 14.058 -7.544 1.00 0.00 C ATOM 534 C TYR A 35 22.447 14.695 -6.957 1.00 0.00 C ATOM 535 O TYR A 35 22.532 15.625 -6.162 1.00 0.00 O ATOM 536 CB TYR A 35 23.933 12.697 -6.880 1.00 0.00 C ATOM 537 CG TYR A 35 23.947 12.765 -5.366 1.00 0.00 C ATOM 538 CD1 TYR A 35 25.077 13.191 -4.677 1.00 0.00 C ATOM 539 CD2 TYR A 35 22.821 12.418 -4.630 1.00 0.00 C ATOM 540 CE1 TYR A 35 25.083 13.270 -3.300 1.00 0.00 C ATOM 541 CE2 TYR A 35 22.817 12.498 -3.254 1.00 0.00 C ATOM 542 CZ TYR A 35 23.952 12.923 -2.591 1.00 0.00 C ATOM 543 OH TYR A 35 23.955 13.000 -1.219 1.00 0.00 O ATOM 0 H TYR A 35 24.814 15.475 -6.480 1.00 0.00 H new ATOM 0 HA TYR A 35 23.562 13.921 -8.617 1.00 0.00 H new ATOM 0 HB2 TYR A 35 23.153 12.006 -7.199 1.00 0.00 H new ATOM 0 HB3 TYR A 35 24.882 12.289 -7.228 1.00 0.00 H new ATOM 0 HD1 TYR A 35 25.964 13.464 -5.229 1.00 0.00 H new ATOM 0 HD2 TYR A 35 21.934 12.080 -5.145 1.00 0.00 H new ATOM 0 HE1 TYR A 35 25.969 13.602 -2.779 1.00 0.00 H new ATOM 0 HE2 TYR A 35 21.931 12.230 -2.697 1.00 0.00 H new ATOM 0 HH TYR A 35 23.081 12.722 -0.874 1.00 0.00 H new ATOM 553 N VAL A 36 21.293 14.181 -7.343 1.00 0.00 N ATOM 554 CA VAL A 36 20.023 14.631 -6.789 1.00 0.00 C ATOM 555 C VAL A 36 19.168 13.422 -6.420 1.00 0.00 C ATOM 556 O VAL A 36 19.281 12.363 -7.042 1.00 0.00 O ATOM 557 CB VAL A 36 19.271 15.552 -7.782 1.00 0.00 C ATOM 558 CG1 VAL A 36 17.855 15.861 -7.314 1.00 0.00 C ATOM 559 CG2 VAL A 36 20.041 16.847 -7.980 1.00 0.00 C ATOM 0 H VAL A 36 21.207 13.445 -8.044 1.00 0.00 H new ATOM 0 HA VAL A 36 20.223 15.215 -5.891 1.00 0.00 H new ATOM 0 HB VAL A 36 19.199 15.018 -8.730 1.00 0.00 H new ATOM 0 HG11 VAL A 36 17.365 16.509 -8.040 1.00 0.00 H new ATOM 0 HG12 VAL A 36 17.292 14.932 -7.219 1.00 0.00 H new ATOM 0 HG13 VAL A 36 17.893 16.363 -6.347 1.00 0.00 H new ATOM 0 HG21 VAL A 36 19.503 17.487 -8.680 1.00 0.00 H new ATOM 0 HG22 VAL A 36 20.142 17.360 -7.024 1.00 0.00 H new ATOM 0 HG23 VAL A 36 21.031 16.624 -8.379 1.00 0.00 H new ATOM 569 N ILE A 37 18.347 13.571 -5.389 1.00 0.00 N ATOM 570 CA ILE A 37 17.512 12.485 -4.918 1.00 0.00 C ATOM 571 C ILE A 37 16.030 12.796 -5.165 1.00 0.00 C ATOM 572 O ILE A 37 15.426 13.670 -4.511 1.00 0.00 O ATOM 573 CB ILE A 37 17.776 12.185 -3.423 1.00 0.00 C ATOM 574 CG1 ILE A 37 19.213 11.674 -3.241 1.00 0.00 C ATOM 575 CG2 ILE A 37 16.774 11.171 -2.888 1.00 0.00 C ATOM 576 CD1 ILE A 37 19.624 11.485 -1.795 1.00 0.00 C ATOM 0 H ILE A 37 18.245 14.439 -4.864 1.00 0.00 H new ATOM 0 HA ILE A 37 17.770 11.590 -5.484 1.00 0.00 H new ATOM 0 HB ILE A 37 17.654 13.107 -2.855 1.00 0.00 H new ATOM 0 HG12 ILE A 37 19.318 10.724 -3.765 1.00 0.00 H new ATOM 0 HG13 ILE A 37 19.900 12.376 -3.714 1.00 0.00 H new ATOM 0 HG21 ILE A 37 16.980 10.976 -1.835 1.00 0.00 H new ATOM 0 HG22 ILE A 37 15.764 11.567 -2.993 1.00 0.00 H new ATOM 0 HG23 ILE A 37 16.860 10.242 -3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 37 20.651 11.122 -1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 37 19.554 12.437 -1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 37 18.963 10.759 -1.321 1.00 0.00 H new ATOM 588 N ASP A 38 15.466 12.079 -6.132 1.00 0.00 N ATOM 589 CA ASP A 38 14.071 12.238 -6.532 1.00 0.00 C ATOM 590 C ASP A 38 13.150 11.441 -5.621 1.00 0.00 C ATOM 591 O ASP A 38 12.746 10.327 -5.949 1.00 0.00 O ATOM 592 CB ASP A 38 13.865 11.784 -7.985 1.00 0.00 C ATOM 593 CG ASP A 38 14.280 12.823 -9.008 1.00 0.00 C ATOM 594 OD1 ASP A 38 15.404 13.349 -8.906 1.00 0.00 O ATOM 595 OD2 ASP A 38 13.473 13.107 -9.923 1.00 0.00 O ATOM 0 H ASP A 38 15.967 11.367 -6.664 1.00 0.00 H new ATOM 0 HA ASP A 38 13.825 13.297 -6.449 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.434 10.870 -8.156 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.814 11.538 -8.135 1.00 0.00 H new ATOM 600 N GLY A 39 12.868 11.994 -4.447 1.00 0.00 N ATOM 601 CA GLY A 39 11.930 11.370 -3.525 1.00 0.00 C ATOM 602 C GLY A 39 12.417 10.039 -2.972 1.00 0.00 C ATOM 603 O GLY A 39 11.683 9.351 -2.264 1.00 0.00 O ATOM 0 H GLY A 39 13.274 12.868 -4.113 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.740 12.051 -2.696 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.979 11.216 -4.035 1.00 0.00 H new ATOM 607 N GLY A 40 13.651 9.677 -3.290 1.00 0.00 N ATOM 608 CA GLY A 40 14.195 8.413 -2.840 1.00 0.00 C ATOM 609 C GLY A 40 15.113 7.803 -3.876 1.00 0.00 C ATOM 610 O GLY A 40 15.996 7.015 -3.545 1.00 0.00 O ATOM 0 H GLY A 40 14.288 10.239 -3.854 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.743 8.562 -1.910 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.380 7.722 -2.623 1.00 0.00 H new ATOM 614 N GLU A 41 14.902 8.170 -5.132 1.00 0.00 N ATOM 615 CA GLU A 41 15.757 7.697 -6.213 1.00 0.00 C ATOM 616 C GLU A 41 17.028 8.537 -6.277 1.00 0.00 C ATOM 617 O GLU A 41 16.975 9.760 -6.189 1.00 0.00 O ATOM 618 CB GLU A 41 15.021 7.757 -7.556 1.00 0.00 C ATOM 619 CG GLU A 41 13.727 6.959 -7.577 1.00 0.00 C ATOM 620 CD GLU A 41 13.114 6.868 -8.961 1.00 0.00 C ATOM 621 OE1 GLU A 41 12.424 7.823 -9.379 1.00 0.00 O ATOM 622 OE2 GLU A 41 13.308 5.830 -9.635 1.00 0.00 O ATOM 0 H GLU A 41 14.149 8.791 -5.428 1.00 0.00 H new ATOM 0 HA GLU A 41 16.022 6.659 -6.013 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.800 8.798 -7.794 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.681 7.384 -8.339 1.00 0.00 H new ATOM 0 HG2 GLU A 41 13.920 5.953 -7.203 1.00 0.00 H new ATOM 0 HG3 GLU A 41 13.010 7.420 -6.897 1.00 0.00 H new ATOM 629 N ILE A 42 18.166 7.875 -6.406 1.00 0.00 N ATOM 630 CA ILE A 42 19.442 8.568 -6.525 1.00 0.00 C ATOM 631 C ILE A 42 19.820 8.695 -7.993 1.00 0.00 C ATOM 632 O ILE A 42 19.885 7.701 -8.705 1.00 0.00 O ATOM 633 CB ILE A 42 20.566 7.818 -5.775 1.00 0.00 C ATOM 634 CG1 ILE A 42 20.187 7.626 -4.304 1.00 0.00 C ATOM 635 CG2 ILE A 42 21.881 8.583 -5.887 1.00 0.00 C ATOM 636 CD1 ILE A 42 21.158 6.758 -3.532 1.00 0.00 C ATOM 0 H ILE A 42 18.234 6.858 -6.431 1.00 0.00 H new ATOM 0 HA ILE A 42 19.330 9.555 -6.077 1.00 0.00 H new ATOM 0 HB ILE A 42 20.694 6.837 -6.233 1.00 0.00 H new ATOM 0 HG12 ILE A 42 20.126 8.603 -3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 42 19.193 7.181 -4.249 1.00 0.00 H new ATOM 0 HG21 ILE A 42 22.663 8.042 -5.354 1.00 0.00 H new ATOM 0 HG22 ILE A 42 22.158 8.679 -6.937 1.00 0.00 H new ATOM 0 HG23 ILE A 42 21.763 9.575 -5.450 1.00 0.00 H new ATOM 0 HD11 ILE A 42 20.823 6.668 -2.499 1.00 0.00 H new ATOM 0 HD12 ILE A 42 21.202 5.768 -3.987 1.00 0.00 H new ATOM 0 HD13 ILE A 42 22.149 7.212 -3.554 1.00 0.00 H new ATOM 648 N ILE A 43 20.034 9.913 -8.459 1.00 0.00 N ATOM 649 CA ILE A 43 20.429 10.123 -9.842 1.00 0.00 C ATOM 650 C ILE A 43 21.654 11.018 -9.907 1.00 0.00 C ATOM 651 O ILE A 43 21.675 12.094 -9.304 1.00 0.00 O ATOM 652 CB ILE A 43 19.300 10.765 -10.693 1.00 0.00 C ATOM 653 CG1 ILE A 43 17.968 10.032 -10.505 1.00 0.00 C ATOM 654 CG2 ILE A 43 19.679 10.775 -12.168 1.00 0.00 C ATOM 655 CD1 ILE A 43 17.155 10.536 -9.332 1.00 0.00 C ATOM 0 H ILE A 43 19.942 10.765 -7.906 1.00 0.00 H new ATOM 0 HA ILE A 43 20.649 9.139 -10.255 1.00 0.00 H new ATOM 0 HB ILE A 43 19.177 11.791 -10.348 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.377 10.133 -11.415 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.165 8.969 -10.369 1.00 0.00 H new ATOM 0 HG21 ILE A 43 18.875 11.229 -12.747 1.00 0.00 H new ATOM 0 HG22 ILE A 43 20.594 11.351 -12.305 1.00 0.00 H new ATOM 0 HG23 ILE A 43 19.840 9.752 -12.509 1.00 0.00 H new ATOM 0 HD11 ILE A 43 16.226 9.969 -9.263 1.00 0.00 H new ATOM 0 HD12 ILE A 43 17.726 10.410 -8.412 1.00 0.00 H new ATOM 0 HD13 ILE A 43 16.926 11.592 -9.475 1.00 0.00 H new ATOM 667 N LEU A 44 22.686 10.564 -10.612 1.00 0.00 N ATOM 668 CA LEU A 44 23.846 11.394 -10.859 1.00 0.00 C ATOM 669 C LEU A 44 23.407 12.606 -11.669 1.00 0.00 C ATOM 670 O LEU A 44 22.541 12.488 -12.538 1.00 0.00 O ATOM 671 CB LEU A 44 24.924 10.608 -11.610 1.00 0.00 C ATOM 672 CG LEU A 44 26.290 11.287 -11.690 1.00 0.00 C ATOM 673 CD1 LEU A 44 26.952 11.319 -10.320 1.00 0.00 C ATOM 674 CD2 LEU A 44 27.179 10.578 -12.702 1.00 0.00 C ATOM 0 H LEU A 44 22.737 9.630 -11.018 1.00 0.00 H new ATOM 0 HA LEU A 44 24.275 11.718 -9.911 1.00 0.00 H new ATOM 0 HB2 LEU A 44 25.046 9.638 -11.127 1.00 0.00 H new ATOM 0 HB3 LEU A 44 24.571 10.417 -12.624 1.00 0.00 H new ATOM 0 HG LEU A 44 26.146 12.315 -12.023 1.00 0.00 H new ATOM 0 HD11 LEU A 44 27.924 11.806 -10.397 1.00 0.00 H new ATOM 0 HD12 LEU A 44 26.322 11.873 -9.624 1.00 0.00 H new ATOM 0 HD13 LEU A 44 27.085 10.300 -9.956 1.00 0.00 H new ATOM 0 HD21 LEU A 44 28.148 11.075 -12.746 1.00 0.00 H new ATOM 0 HD22 LEU A 44 27.317 9.540 -12.401 1.00 0.00 H new ATOM 0 HD23 LEU A 44 26.709 10.611 -13.685 1.00 0.00 H new ATOM 686 N ARG A 45 23.999 13.759 -11.385 1.00 0.00 N ATOM 687 CA ARG A 45 23.551 15.023 -11.972 1.00 0.00 C ATOM 688 C ARG A 45 23.526 15.002 -13.501 1.00 0.00 C ATOM 689 O ARG A 45 22.791 15.776 -14.112 1.00 0.00 O ATOM 690 CB ARG A 45 24.422 16.178 -11.475 1.00 0.00 C ATOM 691 CG ARG A 45 23.672 17.132 -10.560 1.00 0.00 C ATOM 692 CD ARG A 45 22.679 17.980 -11.337 1.00 0.00 C ATOM 693 NE ARG A 45 23.314 19.142 -11.960 1.00 0.00 N ATOM 694 CZ ARG A 45 23.257 19.433 -13.261 1.00 0.00 C ATOM 695 NH1 ARG A 45 22.728 18.573 -14.121 1.00 0.00 N ATOM 696 NH2 ARG A 45 23.761 20.577 -13.704 1.00 0.00 N ATOM 0 H ARG A 45 24.793 13.849 -10.751 1.00 0.00 H new ATOM 0 HA ARG A 45 22.522 15.169 -11.644 1.00 0.00 H new ATOM 0 HB2 ARG A 45 25.284 15.774 -10.943 1.00 0.00 H new ATOM 0 HB3 ARG A 45 24.807 16.731 -12.332 1.00 0.00 H new ATOM 0 HG2 ARG A 45 23.146 16.564 -9.793 1.00 0.00 H new ATOM 0 HG3 ARG A 45 24.382 17.780 -10.046 1.00 0.00 H new ATOM 0 HD2 ARG A 45 22.207 17.370 -12.107 1.00 0.00 H new ATOM 0 HD3 ARG A 45 21.888 18.316 -10.667 1.00 0.00 H new ATOM 0 HE ARG A 45 23.838 19.775 -11.356 1.00 0.00 H new ATOM 0 HH11 ARG A 45 22.361 17.681 -13.790 1.00 0.00 H new ATOM 0 HH12 ARG A 45 22.688 18.804 -15.114 1.00 0.00 H new ATOM 0 HH21 ARG A 45 24.191 21.232 -13.051 1.00 0.00 H new ATOM 0 HH22 ARG A 45 23.719 20.802 -14.698 1.00 0.00 H new ATOM 710 N GLU A 46 24.276 14.085 -14.104 1.00 0.00 N ATOM 711 CA GLU A 46 24.404 14.031 -15.560 1.00 0.00 C ATOM 712 C GLU A 46 23.053 13.725 -16.208 1.00 0.00 C ATOM 713 O GLU A 46 22.632 14.398 -17.147 1.00 0.00 O ATOM 714 CB GLU A 46 25.429 12.963 -15.955 1.00 0.00 C ATOM 715 CG GLU A 46 26.331 13.355 -17.121 1.00 0.00 C ATOM 716 CD GLU A 46 25.586 13.578 -18.424 1.00 0.00 C ATOM 717 OE1 GLU A 46 24.961 12.625 -18.927 1.00 0.00 O ATOM 718 OE2 GLU A 46 25.638 14.707 -18.959 1.00 0.00 O ATOM 0 H GLU A 46 24.806 13.368 -13.608 1.00 0.00 H new ATOM 0 HA GLU A 46 24.745 15.003 -15.915 1.00 0.00 H new ATOM 0 HB2 GLU A 46 26.052 12.737 -15.090 1.00 0.00 H new ATOM 0 HB3 GLU A 46 24.899 12.046 -16.214 1.00 0.00 H new ATOM 0 HG2 GLU A 46 26.870 14.266 -16.861 1.00 0.00 H new ATOM 0 HG3 GLU A 46 27.077 12.575 -17.269 1.00 0.00 H new ATOM 725 N ASN A 47 22.365 12.718 -15.682 1.00 0.00 N ATOM 726 CA ASN A 47 21.077 12.305 -16.232 1.00 0.00 C ATOM 727 C ASN A 47 19.940 12.942 -15.440 1.00 0.00 C ATOM 728 O ASN A 47 18.762 12.739 -15.739 1.00 0.00 O ATOM 729 CB ASN A 47 20.919 10.776 -16.209 1.00 0.00 C ATOM 730 CG ASN A 47 22.001 10.031 -16.976 1.00 0.00 C ATOM 731 OD1 ASN A 47 23.166 10.428 -16.994 1.00 0.00 O ATOM 732 ND2 ASN A 47 21.618 8.948 -17.640 1.00 0.00 N ATOM 0 H ASN A 47 22.676 12.173 -14.878 1.00 0.00 H new ATOM 0 HA ASN A 47 21.039 12.640 -17.269 1.00 0.00 H new ATOM 0 HB2 ASN A 47 20.923 10.436 -15.173 1.00 0.00 H new ATOM 0 HB3 ASN A 47 19.947 10.515 -16.627 1.00 0.00 H new ATOM 0 HD21 ASN A 47 22.297 8.418 -18.186 1.00 0.00 H new ATOM 0 HD22 ASN A 47 20.645 8.646 -17.604 1.00 0.00 H new ATOM 739 N LEU A 48 20.310 13.731 -14.442 1.00 0.00 N ATOM 740 CA LEU A 48 19.349 14.293 -13.500 1.00 0.00 C ATOM 741 C LEU A 48 18.447 15.328 -14.174 1.00 0.00 C ATOM 742 O LEU A 48 17.257 15.409 -13.875 1.00 0.00 O ATOM 743 CB LEU A 48 20.101 14.904 -12.306 1.00 0.00 C ATOM 744 CG LEU A 48 19.252 15.289 -11.090 1.00 0.00 C ATOM 745 CD1 LEU A 48 18.610 16.654 -11.278 1.00 0.00 C ATOM 746 CD2 LEU A 48 18.190 14.232 -10.820 1.00 0.00 C ATOM 0 H LEU A 48 21.277 13.999 -14.262 1.00 0.00 H new ATOM 0 HA LEU A 48 18.701 13.494 -13.140 1.00 0.00 H new ATOM 0 HB2 LEU A 48 20.861 14.193 -11.981 1.00 0.00 H new ATOM 0 HB3 LEU A 48 20.625 15.795 -12.652 1.00 0.00 H new ATOM 0 HG LEU A 48 19.913 15.345 -10.225 1.00 0.00 H new ATOM 0 HD11 LEU A 48 18.014 16.900 -10.399 1.00 0.00 H new ATOM 0 HD12 LEU A 48 19.387 17.406 -11.411 1.00 0.00 H new ATOM 0 HD13 LEU A 48 17.968 16.636 -12.158 1.00 0.00 H new ATOM 0 HD21 LEU A 48 17.598 14.524 -9.953 1.00 0.00 H new ATOM 0 HD22 LEU A 48 17.539 14.140 -11.689 1.00 0.00 H new ATOM 0 HD23 LEU A 48 18.672 13.274 -10.624 1.00 0.00 H new ATOM 758 N GLU A 49 19.006 16.104 -15.095 1.00 0.00 N ATOM 759 CA GLU A 49 18.234 17.139 -15.781 1.00 0.00 C ATOM 760 C GLU A 49 17.052 16.536 -16.540 1.00 0.00 C ATOM 761 O GLU A 49 15.976 17.135 -16.613 1.00 0.00 O ATOM 762 CB GLU A 49 19.130 17.946 -16.718 1.00 0.00 C ATOM 763 CG GLU A 49 20.042 18.913 -15.980 1.00 0.00 C ATOM 764 CD GLU A 49 21.001 19.642 -16.896 1.00 0.00 C ATOM 765 OE1 GLU A 49 20.548 20.236 -17.899 1.00 0.00 O ATOM 766 OE2 GLU A 49 22.215 19.633 -16.613 1.00 0.00 O ATOM 0 H GLU A 49 19.982 16.039 -15.384 1.00 0.00 H new ATOM 0 HA GLU A 49 17.832 17.815 -15.026 1.00 0.00 H new ATOM 0 HB2 GLU A 49 19.738 17.262 -17.310 1.00 0.00 H new ATOM 0 HB3 GLU A 49 18.507 18.504 -17.417 1.00 0.00 H new ATOM 0 HG2 GLU A 49 19.432 19.643 -15.447 1.00 0.00 H new ATOM 0 HG3 GLU A 49 20.612 18.365 -15.230 1.00 0.00 H new ATOM 773 N ARG A 50 17.240 15.332 -17.073 1.00 0.00 N ATOM 774 CA ARG A 50 16.164 14.640 -17.768 1.00 0.00 C ATOM 775 C ARG A 50 15.154 14.091 -16.765 1.00 0.00 C ATOM 776 O ARG A 50 13.955 14.061 -17.032 1.00 0.00 O ATOM 777 CB ARG A 50 16.716 13.516 -18.644 1.00 0.00 C ATOM 778 CG ARG A 50 15.645 12.798 -19.449 1.00 0.00 C ATOM 779 CD ARG A 50 16.254 11.897 -20.505 1.00 0.00 C ATOM 780 NE ARG A 50 17.038 12.655 -21.480 1.00 0.00 N ATOM 781 CZ ARG A 50 17.815 12.095 -22.407 1.00 0.00 C ATOM 782 NH1 ARG A 50 17.858 10.773 -22.529 1.00 0.00 N ATOM 783 NH2 ARG A 50 18.526 12.857 -23.230 1.00 0.00 N ATOM 0 H ARG A 50 18.121 14.820 -17.037 1.00 0.00 H new ATOM 0 HA ARG A 50 15.658 15.356 -18.416 1.00 0.00 H new ATOM 0 HB2 ARG A 50 17.458 13.929 -19.327 1.00 0.00 H new ATOM 0 HB3 ARG A 50 17.232 12.793 -18.012 1.00 0.00 H new ATOM 0 HG2 ARG A 50 15.021 12.206 -18.780 1.00 0.00 H new ATOM 0 HG3 ARG A 50 14.994 13.531 -19.926 1.00 0.00 H new ATOM 0 HD2 ARG A 50 16.891 11.154 -20.025 1.00 0.00 H new ATOM 0 HD3 ARG A 50 15.462 11.353 -21.020 1.00 0.00 H new ATOM 0 HE ARG A 50 16.987 13.673 -21.449 1.00 0.00 H new ATOM 0 HH11 ARG A 50 17.296 10.185 -21.913 1.00 0.00 H new ATOM 0 HH12 ARG A 50 18.453 10.345 -23.239 1.00 0.00 H new ATOM 0 HH21 ARG A 50 18.478 13.873 -23.153 1.00 0.00 H new ATOM 0 HH22 ARG A 50 19.120 12.426 -23.939 1.00 0.00 H new ATOM 797 N TYR A 51 15.643 13.675 -15.601 1.00 0.00 N ATOM 798 CA TYR A 51 14.768 13.237 -14.522 1.00 0.00 C ATOM 799 C TYR A 51 13.848 14.372 -14.091 1.00 0.00 C ATOM 800 O TYR A 51 12.653 14.166 -13.867 1.00 0.00 O ATOM 801 CB TYR A 51 15.584 12.731 -13.333 1.00 0.00 C ATOM 802 CG TYR A 51 15.621 11.226 -13.232 1.00 0.00 C ATOM 803 CD1 TYR A 51 16.381 10.463 -14.111 1.00 0.00 C ATOM 804 CD2 TYR A 51 14.885 10.566 -12.259 1.00 0.00 C ATOM 805 CE1 TYR A 51 16.402 9.084 -14.020 1.00 0.00 C ATOM 806 CE2 TYR A 51 14.906 9.190 -12.159 1.00 0.00 C ATOM 807 CZ TYR A 51 15.662 8.454 -13.042 1.00 0.00 C ATOM 808 OH TYR A 51 15.677 7.082 -12.948 1.00 0.00 O ATOM 0 H TYR A 51 16.638 13.632 -15.382 1.00 0.00 H new ATOM 0 HA TYR A 51 14.157 12.414 -14.891 1.00 0.00 H new ATOM 0 HB2 TYR A 51 16.604 13.108 -13.414 1.00 0.00 H new ATOM 0 HB3 TYR A 51 15.165 13.140 -12.413 1.00 0.00 H new ATOM 0 HD1 TYR A 51 16.963 10.955 -14.876 1.00 0.00 H new ATOM 0 HD2 TYR A 51 14.285 11.139 -11.568 1.00 0.00 H new ATOM 0 HE1 TYR A 51 16.995 8.503 -14.711 1.00 0.00 H new ATOM 0 HE2 TYR A 51 14.332 8.693 -11.391 1.00 0.00 H new ATOM 0 HH TYR A 51 16.501 6.794 -12.503 1.00 0.00 H new ATOM 818 N LEU A 52 14.409 15.574 -14.003 1.00 0.00 N ATOM 819 CA LEU A 52 13.630 16.763 -13.681 1.00 0.00 C ATOM 820 C LEU A 52 12.596 17.042 -14.767 1.00 0.00 C ATOM 821 O LEU A 52 11.499 17.514 -14.484 1.00 0.00 O ATOM 822 CB LEU A 52 14.539 17.983 -13.509 1.00 0.00 C ATOM 823 CG LEU A 52 15.521 17.915 -12.339 1.00 0.00 C ATOM 824 CD1 LEU A 52 16.289 19.222 -12.221 1.00 0.00 C ATOM 825 CD2 LEU A 52 14.794 17.600 -11.037 1.00 0.00 C ATOM 0 H LEU A 52 15.403 15.750 -14.151 1.00 0.00 H new ATOM 0 HA LEU A 52 13.114 16.575 -12.740 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.107 18.123 -14.429 1.00 0.00 H new ATOM 0 HB3 LEU A 52 13.912 18.866 -13.383 1.00 0.00 H new ATOM 0 HG LEU A 52 16.230 17.110 -12.531 1.00 0.00 H new ATOM 0 HD11 LEU A 52 16.985 19.161 -11.384 1.00 0.00 H new ATOM 0 HD12 LEU A 52 16.844 19.403 -13.142 1.00 0.00 H new ATOM 0 HD13 LEU A 52 15.590 20.041 -12.052 1.00 0.00 H new ATOM 0 HD21 LEU A 52 15.514 17.557 -10.220 1.00 0.00 H new ATOM 0 HD22 LEU A 52 14.059 18.379 -10.833 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.288 16.639 -11.126 1.00 0.00 H new ATOM 837 N ARG A 53 12.946 16.741 -16.008 1.00 0.00 N ATOM 838 CA ARG A 53 12.031 16.944 -17.122 1.00 0.00 C ATOM 839 C ARG A 53 10.809 16.033 -16.988 1.00 0.00 C ATOM 840 O ARG A 53 9.676 16.458 -17.217 1.00 0.00 O ATOM 841 CB ARG A 53 12.742 16.672 -18.450 1.00 0.00 C ATOM 842 CG ARG A 53 11.920 17.046 -19.671 1.00 0.00 C ATOM 843 CD ARG A 53 12.587 16.576 -20.954 1.00 0.00 C ATOM 844 NE ARG A 53 12.663 15.117 -21.024 1.00 0.00 N ATOM 845 CZ ARG A 53 13.277 14.444 -21.994 1.00 0.00 C ATOM 846 NH1 ARG A 53 13.907 15.095 -22.962 1.00 0.00 N ATOM 847 NH2 ARG A 53 13.273 13.116 -21.980 1.00 0.00 N ATOM 0 H ARG A 53 13.854 16.356 -16.269 1.00 0.00 H new ATOM 0 HA ARG A 53 11.696 17.981 -17.105 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.680 17.227 -18.470 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.997 15.614 -18.505 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.927 16.604 -19.592 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.786 18.127 -19.704 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.030 16.952 -21.812 1.00 0.00 H new ATOM 0 HD3 ARG A 53 13.591 16.996 -21.016 1.00 0.00 H new ATOM 0 HE ARG A 53 12.216 14.580 -20.281 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.922 16.115 -22.965 1.00 0.00 H new ATOM 0 HH12 ARG A 53 14.377 14.576 -23.704 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.800 12.615 -21.227 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.743 12.597 -22.722 1.00 0.00 H new ATOM 861 N GLU A 54 11.042 14.786 -16.594 1.00 0.00 N ATOM 862 CA GLU A 54 9.967 13.806 -16.485 1.00 0.00 C ATOM 863 C GLU A 54 9.229 13.898 -15.143 1.00 0.00 C ATOM 864 O GLU A 54 8.050 14.254 -15.104 1.00 0.00 O ATOM 865 CB GLU A 54 10.512 12.387 -16.697 1.00 0.00 C ATOM 866 CG GLU A 54 10.417 11.892 -18.139 1.00 0.00 C ATOM 867 CD GLU A 54 11.245 12.697 -19.125 1.00 0.00 C ATOM 868 OE1 GLU A 54 10.821 13.809 -19.499 1.00 0.00 O ATOM 869 OE2 GLU A 54 12.311 12.207 -19.557 1.00 0.00 O ATOM 0 H GLU A 54 11.965 14.430 -16.345 1.00 0.00 H new ATOM 0 HA GLU A 54 9.244 14.034 -17.268 1.00 0.00 H new ATOM 0 HB2 GLU A 54 11.555 12.359 -16.383 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.966 11.699 -16.051 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.737 10.851 -18.177 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.373 11.916 -18.452 1.00 0.00 H new ATOM 876 N GLN A 55 9.912 13.578 -14.046 1.00 0.00 N ATOM 877 CA GLN A 55 9.257 13.509 -12.736 1.00 0.00 C ATOM 878 C GLN A 55 9.567 14.731 -11.871 1.00 0.00 C ATOM 879 O GLN A 55 8.795 15.066 -10.977 1.00 0.00 O ATOM 880 CB GLN A 55 9.648 12.219 -12.008 1.00 0.00 C ATOM 881 CG GLN A 55 11.143 12.035 -11.843 1.00 0.00 C ATOM 882 CD GLN A 55 11.516 10.628 -11.413 1.00 0.00 C ATOM 883 OE1 GLN A 55 11.680 9.737 -12.250 1.00 0.00 O ATOM 884 NE2 GLN A 55 11.673 10.417 -10.116 1.00 0.00 N ATOM 0 H GLN A 55 10.909 13.364 -14.034 1.00 0.00 H new ATOM 0 HA GLN A 55 8.181 13.504 -12.911 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.180 12.213 -11.023 1.00 0.00 H new ATOM 0 HB3 GLN A 55 9.246 11.368 -12.557 1.00 0.00 H new ATOM 0 HG2 GLN A 55 11.640 12.266 -12.785 1.00 0.00 H new ATOM 0 HG3 GLN A 55 11.513 12.746 -11.105 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.528 11.179 -9.454 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.939 9.492 -9.778 1.00 0.00 H new ATOM 893 N LEU A 56 10.705 15.373 -12.132 1.00 0.00 N ATOM 894 CA LEU A 56 11.072 16.637 -11.481 1.00 0.00 C ATOM 895 C LEU A 56 11.268 16.477 -9.968 1.00 0.00 C ATOM 896 O LEU A 56 10.821 17.309 -9.189 1.00 0.00 O ATOM 897 CB LEU A 56 10.011 17.715 -11.776 1.00 0.00 C ATOM 898 CG LEU A 56 10.372 19.146 -11.346 1.00 0.00 C ATOM 899 CD1 LEU A 56 11.616 19.637 -12.070 1.00 0.00 C ATOM 900 CD2 LEU A 56 9.207 20.090 -11.599 1.00 0.00 C ATOM 0 H LEU A 56 11.399 15.035 -12.799 1.00 0.00 H new ATOM 0 HA LEU A 56 12.030 16.951 -11.896 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.811 17.718 -12.848 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.083 17.430 -11.280 1.00 0.00 H new ATOM 0 HG LEU A 56 10.584 19.131 -10.277 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.848 20.652 -11.747 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.455 18.981 -11.838 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.437 19.631 -13.145 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.481 21.098 -11.288 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.964 20.091 -12.662 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.339 19.758 -11.029 1.00 0.00 H new ATOM 912 N GLY A 57 11.943 15.416 -9.552 1.00 0.00 N ATOM 913 CA GLY A 57 12.316 15.284 -8.153 1.00 0.00 C ATOM 914 C GLY A 57 11.245 14.653 -7.283 1.00 0.00 C ATOM 915 O GLY A 57 11.528 14.205 -6.168 1.00 0.00 O ATOM 0 H GLY A 57 12.239 14.646 -10.152 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.224 14.685 -8.085 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.555 16.271 -7.757 1.00 0.00 H new ATOM 919 N PHE A 58 10.019 14.609 -7.776 1.00 0.00 N ATOM 920 CA PHE A 58 8.913 14.085 -6.991 1.00 0.00 C ATOM 921 C PHE A 58 8.728 12.602 -7.242 1.00 0.00 C ATOM 922 O PHE A 58 8.719 12.155 -8.392 1.00 0.00 O ATOM 923 CB PHE A 58 7.602 14.788 -7.343 1.00 0.00 C ATOM 924 CG PHE A 58 7.709 16.271 -7.504 1.00 0.00 C ATOM 925 CD1 PHE A 58 7.773 17.100 -6.401 1.00 0.00 C ATOM 926 CD2 PHE A 58 7.723 16.834 -8.766 1.00 0.00 C ATOM 927 CE1 PHE A 58 7.853 18.470 -6.556 1.00 0.00 C ATOM 928 CE2 PHE A 58 7.805 18.200 -8.927 1.00 0.00 C ATOM 929 CZ PHE A 58 7.866 19.020 -7.821 1.00 0.00 C ATOM 0 H PHE A 58 9.764 14.928 -8.711 1.00 0.00 H new ATOM 0 HA PHE A 58 9.158 14.262 -5.944 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.216 14.363 -8.269 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.870 14.573 -6.564 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.760 16.673 -5.409 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.669 16.196 -9.636 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.905 19.110 -5.688 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.821 18.628 -9.919 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.924 20.091 -7.944 1.00 0.00 H new ATOM 939 N GLU A 59 8.575 11.835 -6.177 1.00 0.00 N ATOM 940 CA GLU A 59 8.131 10.467 -6.325 1.00 0.00 C ATOM 941 C GLU A 59 6.618 10.441 -6.187 1.00 0.00 C ATOM 942 O GLU A 59 6.077 10.538 -5.080 1.00 0.00 O ATOM 943 CB GLU A 59 8.780 9.538 -5.293 1.00 0.00 C ATOM 944 CG GLU A 59 8.414 8.074 -5.501 1.00 0.00 C ATOM 945 CD GLU A 59 9.047 7.149 -4.485 1.00 0.00 C ATOM 946 OE1 GLU A 59 10.195 6.712 -4.704 1.00 0.00 O ATOM 947 OE2 GLU A 59 8.391 6.827 -3.475 1.00 0.00 O ATOM 0 H GLU A 59 8.749 12.132 -5.217 1.00 0.00 H new ATOM 0 HA GLU A 59 8.431 10.101 -7.307 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.863 9.647 -5.344 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.475 9.845 -4.293 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.330 7.967 -5.454 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.721 7.768 -6.501 1.00 0.00 H new ATOM 954 N PHE A 60 5.940 10.345 -7.318 1.00 0.00 N ATOM 955 CA PHE A 60 4.488 10.313 -7.335 1.00 0.00 C ATOM 956 C PHE A 60 4.003 8.929 -6.957 1.00 0.00 C ATOM 957 O PHE A 60 4.133 7.982 -7.733 1.00 0.00 O ATOM 958 CB PHE A 60 3.946 10.707 -8.711 1.00 0.00 C ATOM 959 CG PHE A 60 4.185 12.147 -9.063 1.00 0.00 C ATOM 960 CD1 PHE A 60 3.300 13.129 -8.648 1.00 0.00 C ATOM 961 CD2 PHE A 60 5.290 12.519 -9.811 1.00 0.00 C ATOM 962 CE1 PHE A 60 3.516 14.455 -8.970 1.00 0.00 C ATOM 963 CE2 PHE A 60 5.512 13.844 -10.137 1.00 0.00 C ATOM 964 CZ PHE A 60 4.621 14.814 -9.716 1.00 0.00 C ATOM 0 H PHE A 60 6.374 10.288 -8.239 1.00 0.00 H new ATOM 0 HA PHE A 60 4.117 11.036 -6.608 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.409 10.075 -9.469 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.875 10.508 -8.741 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.432 12.855 -8.067 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.987 11.764 -10.144 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.820 15.211 -8.638 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.379 14.121 -10.719 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.789 15.850 -9.970 1.00 0.00 H new ATOM 974 N LYS A 61 3.470 8.810 -5.758 1.00 0.00 N ATOM 975 CA LYS A 61 3.016 7.527 -5.265 1.00 0.00 C ATOM 976 C LYS A 61 1.533 7.345 -5.553 1.00 0.00 C ATOM 977 O LYS A 61 0.873 8.247 -6.069 1.00 0.00 O ATOM 978 CB LYS A 61 3.283 7.408 -3.766 1.00 0.00 C ATOM 979 CG LYS A 61 3.852 6.061 -3.355 1.00 0.00 C ATOM 980 CD LYS A 61 5.258 5.866 -3.895 1.00 0.00 C ATOM 981 CE LYS A 61 5.869 4.567 -3.400 1.00 0.00 C ATOM 982 NZ LYS A 61 7.272 4.404 -3.864 1.00 0.00 N ATOM 0 H LYS A 61 3.341 9.586 -5.108 1.00 0.00 H new ATOM 0 HA LYS A 61 3.570 6.742 -5.780 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.977 8.193 -3.466 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.353 7.581 -3.225 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.864 5.986 -2.268 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.206 5.264 -3.722 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.234 5.866 -4.985 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.885 6.704 -3.590 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.842 4.545 -2.311 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.270 3.727 -3.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.637 3.483 -3.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.302 4.451 -4.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.860 5.164 -3.466 1.00 0.00 H new ATOM 996 N ASN A 62 1.018 6.183 -5.201 1.00 0.00 N ATOM 997 CA ASN A 62 -0.362 5.831 -5.479 1.00 0.00 C ATOM 998 C ASN A 62 -0.914 5.012 -4.320 1.00 0.00 C ATOM 999 O ASN A 62 -0.150 4.355 -3.614 1.00 0.00 O ATOM 1000 CB ASN A 62 -0.429 5.058 -6.811 1.00 0.00 C ATOM 1001 CG ASN A 62 -1.782 4.431 -7.099 1.00 0.00 C ATOM 1002 OD1 ASN A 62 -2.703 5.089 -7.579 1.00 0.00 O ATOM 1003 ND2 ASN A 62 -1.890 3.130 -6.864 1.00 0.00 N ATOM 0 H ASN A 62 1.543 5.456 -4.715 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.975 6.727 -5.579 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.175 5.737 -7.625 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.328 4.274 -6.802 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.759 2.643 -7.083 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.104 2.617 -6.465 1.00 0.00 H new ATOM 1010 N ALA A 63 -2.225 5.091 -4.108 1.00 0.00 N ATOM 1011 CA ALA A 63 -2.901 4.383 -3.016 1.00 0.00 C ATOM 1012 C ALA A 63 -2.534 2.894 -2.954 1.00 0.00 C ATOM 1013 O ALA A 63 -2.517 2.299 -1.879 1.00 0.00 O ATOM 1014 CB ALA A 63 -4.408 4.553 -3.157 1.00 0.00 C ATOM 0 H ALA A 63 -2.853 5.648 -4.688 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.561 4.825 -2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.911 4.027 -2.346 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.660 5.613 -3.114 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.733 4.141 -4.113 1.00 0.00 H new ATOM 1477 N ASP B 19 4.197 -0.565 8.002 1.00 0.00 N ATOM 1478 CA ASP B 19 4.443 0.610 7.175 1.00 0.00 C ATOM 1479 C ASP B 19 3.188 1.463 7.058 1.00 0.00 C ATOM 1480 O ASP B 19 2.451 1.390 6.074 1.00 0.00 O ATOM 1481 CB ASP B 19 4.955 0.223 5.785 1.00 0.00 C ATOM 1482 CG ASP B 19 5.319 1.442 4.957 1.00 0.00 C ATOM 1483 OD1 ASP B 19 6.177 2.231 5.407 1.00 0.00 O ATOM 1484 OD2 ASP B 19 4.760 1.612 3.854 1.00 0.00 O ATOM 0 HA ASP B 19 5.219 1.197 7.667 1.00 0.00 H new ATOM 0 HB2 ASP B 19 5.828 -0.421 5.886 1.00 0.00 H new ATOM 0 HB3 ASP B 19 4.191 -0.355 5.264 1.00 0.00 H new ATOM 1489 N VAL B 20 2.931 2.232 8.098 1.00 0.00 N ATOM 1490 CA VAL B 20 1.847 3.197 8.093 1.00 0.00 C ATOM 1491 C VAL B 20 2.438 4.589 8.209 1.00 0.00 C ATOM 1492 O VAL B 20 2.905 4.984 9.275 1.00 0.00 O ATOM 1493 CB VAL B 20 0.853 2.952 9.250 1.00 0.00 C ATOM 1494 CG1 VAL B 20 -0.317 3.924 9.174 1.00 0.00 C ATOM 1495 CG2 VAL B 20 0.360 1.514 9.234 1.00 0.00 C ATOM 0 H VAL B 20 3.465 2.207 8.967 1.00 0.00 H new ATOM 0 HA VAL B 20 1.292 3.091 7.161 1.00 0.00 H new ATOM 0 HB VAL B 20 1.375 3.125 10.191 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -1.003 3.732 9.999 1.00 0.00 H new ATOM 0 HG12 VAL B 20 0.054 4.947 9.241 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -0.841 3.790 8.227 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -0.339 1.360 10.056 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -0.142 1.312 8.288 1.00 0.00 H new ATOM 0 HG23 VAL B 20 1.207 0.838 9.347 1.00 0.00 H new ATOM 1505 N GLN B 21 2.445 5.320 7.110 1.00 0.00 N ATOM 1506 CA GLN B 21 3.154 6.587 7.061 1.00 0.00 C ATOM 1507 C GLN B 21 2.195 7.769 7.078 1.00 0.00 C ATOM 1508 O GLN B 21 0.997 7.621 6.834 1.00 0.00 O ATOM 1509 CB GLN B 21 4.104 6.637 5.852 1.00 0.00 C ATOM 1510 CG GLN B 21 3.612 5.900 4.613 1.00 0.00 C ATOM 1511 CD GLN B 21 2.509 6.623 3.869 1.00 0.00 C ATOM 1512 OE1 GLN B 21 2.430 7.850 3.882 1.00 0.00 O ATOM 1513 NE2 GLN B 21 1.662 5.863 3.197 1.00 0.00 N ATOM 0 H GLN B 21 1.972 5.062 6.244 1.00 0.00 H new ATOM 0 HA GLN B 21 3.763 6.664 7.962 1.00 0.00 H new ATOM 0 HB2 GLN B 21 4.279 7.680 5.590 1.00 0.00 H new ATOM 0 HB3 GLN B 21 5.066 6.217 6.148 1.00 0.00 H new ATOM 0 HG2 GLN B 21 4.452 5.745 3.936 1.00 0.00 H new ATOM 0 HG3 GLN B 21 3.253 4.914 4.907 1.00 0.00 H new ATOM 0 HE21 GLN B 21 1.764 4.848 3.213 1.00 0.00 H new ATOM 0 HE22 GLN B 21 0.906 6.291 2.662 1.00 0.00 H new ATOM 1522 N ILE B 22 2.725 8.937 7.406 1.00 0.00 N ATOM 1523 CA ILE B 22 1.914 10.136 7.525 1.00 0.00 C ATOM 1524 C ILE B 22 2.516 11.272 6.701 1.00 0.00 C ATOM 1525 O ILE B 22 3.720 11.290 6.441 1.00 0.00 O ATOM 1526 CB ILE B 22 1.776 10.576 9.001 1.00 0.00 C ATOM 1527 CG1 ILE B 22 1.208 9.439 9.853 1.00 0.00 C ATOM 1528 CG2 ILE B 22 0.884 11.795 9.114 1.00 0.00 C ATOM 1529 CD1 ILE B 22 0.945 9.839 11.288 1.00 0.00 C ATOM 0 H ILE B 22 3.717 9.079 7.595 1.00 0.00 H new ATOM 0 HA ILE B 22 0.921 9.903 7.142 1.00 0.00 H new ATOM 0 HB ILE B 22 2.770 10.830 9.370 1.00 0.00 H new ATOM 0 HG12 ILE B 22 0.278 9.088 9.405 1.00 0.00 H new ATOM 0 HG13 ILE B 22 1.905 8.601 9.839 1.00 0.00 H new ATOM 0 HG21 ILE B 22 0.800 12.089 10.160 1.00 0.00 H new ATOM 0 HG22 ILE B 22 1.315 12.616 8.540 1.00 0.00 H new ATOM 0 HG23 ILE B 22 -0.106 11.559 8.723 1.00 0.00 H new ATOM 0 HD11 ILE B 22 0.543 8.986 11.836 1.00 0.00 H new ATOM 0 HD12 ILE B 22 1.877 10.162 11.752 1.00 0.00 H new ATOM 0 HD13 ILE B 22 0.225 10.657 11.312 1.00 0.00 H new ATOM 1541 N ASP B 23 1.669 12.212 6.300 1.00 0.00 N ATOM 1542 CA ASP B 23 2.073 13.316 5.447 1.00 0.00 C ATOM 1543 C ASP B 23 2.709 14.450 6.256 1.00 0.00 C ATOM 1544 O ASP B 23 3.034 14.296 7.436 1.00 0.00 O ATOM 1545 CB ASP B 23 0.855 13.855 4.695 1.00 0.00 C ATOM 1546 CG ASP B 23 -0.049 14.688 5.585 1.00 0.00 C ATOM 1547 OD1 ASP B 23 -0.648 14.127 6.529 1.00 0.00 O ATOM 1548 OD2 ASP B 23 -0.142 15.909 5.349 1.00 0.00 O ATOM 0 H ASP B 23 0.683 12.228 6.559 1.00 0.00 H new ATOM 0 HA ASP B 23 2.816 12.941 4.743 1.00 0.00 H new ATOM 0 HB2 ASP B 23 1.190 14.460 3.852 1.00 0.00 H new ATOM 0 HB3 ASP B 23 0.287 13.021 4.283 1.00 0.00 H new ATOM 1553 N PHE B 24 2.862 15.592 5.597 1.00 0.00 N ATOM 1554 CA PHE B 24 3.485 16.775 6.175 1.00 0.00 C ATOM 1555 C PHE B 24 2.694 17.315 7.369 1.00 0.00 C ATOM 1556 O PHE B 24 3.279 17.796 8.340 1.00 0.00 O ATOM 1557 CB PHE B 24 3.607 17.849 5.085 1.00 0.00 C ATOM 1558 CG PHE B 24 4.213 19.148 5.544 1.00 0.00 C ATOM 1559 CD1 PHE B 24 5.588 19.299 5.629 1.00 0.00 C ATOM 1560 CD2 PHE B 24 3.402 20.223 5.879 1.00 0.00 C ATOM 1561 CE1 PHE B 24 6.144 20.496 6.038 1.00 0.00 C ATOM 1562 CE2 PHE B 24 3.953 21.422 6.291 1.00 0.00 C ATOM 1563 CZ PHE B 24 5.325 21.558 6.371 1.00 0.00 C ATOM 0 H PHE B 24 2.553 15.724 4.634 1.00 0.00 H new ATOM 0 HA PHE B 24 4.472 16.501 6.548 1.00 0.00 H new ATOM 0 HB2 PHE B 24 4.210 17.451 4.269 1.00 0.00 H new ATOM 0 HB3 PHE B 24 2.615 18.050 4.680 1.00 0.00 H new ATOM 0 HD1 PHE B 24 6.233 18.471 5.373 1.00 0.00 H new ATOM 0 HD2 PHE B 24 2.329 20.122 5.817 1.00 0.00 H new ATOM 0 HE1 PHE B 24 7.217 20.601 6.097 1.00 0.00 H new ATOM 0 HE2 PHE B 24 3.311 22.251 6.550 1.00 0.00 H new ATOM 0 HZ PHE B 24 5.757 22.494 6.694 1.00 0.00 H new ATOM 1573 N TYR B 25 1.370 17.225 7.306 1.00 0.00 N ATOM 1574 CA TYR B 25 0.523 17.816 8.338 1.00 0.00 C ATOM 1575 C TYR B 25 0.357 16.904 9.549 1.00 0.00 C ATOM 1576 O TYR B 25 -0.209 17.315 10.567 1.00 0.00 O ATOM 1577 CB TYR B 25 -0.843 18.187 7.761 1.00 0.00 C ATOM 1578 CG TYR B 25 -0.880 19.575 7.164 1.00 0.00 C ATOM 1579 CD1 TYR B 25 -0.269 19.851 5.946 1.00 0.00 C ATOM 1580 CD2 TYR B 25 -1.511 20.615 7.832 1.00 0.00 C ATOM 1581 CE1 TYR B 25 -0.292 21.126 5.412 1.00 0.00 C ATOM 1582 CE2 TYR B 25 -1.536 21.891 7.306 1.00 0.00 C ATOM 1583 CZ TYR B 25 -0.924 22.142 6.097 1.00 0.00 C ATOM 1584 OH TYR B 25 -0.945 23.418 5.573 1.00 0.00 O ATOM 0 H TYR B 25 0.862 16.753 6.558 1.00 0.00 H new ATOM 0 HA TYR B 25 1.025 18.720 8.683 1.00 0.00 H new ATOM 0 HB2 TYR B 25 -1.116 17.461 6.995 1.00 0.00 H new ATOM 0 HB3 TYR B 25 -1.594 18.117 8.548 1.00 0.00 H new ATOM 0 HD1 TYR B 25 0.231 19.058 5.409 1.00 0.00 H new ATOM 0 HD2 TYR B 25 -1.991 20.423 8.780 1.00 0.00 H new ATOM 0 HE1 TYR B 25 0.183 21.325 4.463 1.00 0.00 H new ATOM 0 HE2 TYR B 25 -2.032 22.688 7.839 1.00 0.00 H new ATOM 0 HH TYR B 25 -1.432 24.013 6.181 1.00 0.00 H new ATOM 1594 N GLY B 26 0.847 15.675 9.453 1.00 0.00 N ATOM 1595 CA GLY B 26 0.777 14.774 10.580 1.00 0.00 C ATOM 1596 C GLY B 26 -0.619 14.227 10.788 1.00 0.00 C ATOM 1597 O GLY B 26 -0.992 13.865 11.904 1.00 0.00 O ATOM 0 H GLY B 26 1.289 15.290 8.618 1.00 0.00 H new ATOM 0 HA2 GLY B 26 1.470 13.947 10.426 1.00 0.00 H new ATOM 0 HA3 GLY B 26 1.099 15.296 11.481 1.00 0.00 H new ATOM 1601 N ASP B 27 -1.389 14.163 9.710 1.00 0.00 N ATOM 1602 CA ASP B 27 -2.742 13.637 9.781 1.00 0.00 C ATOM 1603 C ASP B 27 -2.718 12.111 9.765 1.00 0.00 C ATOM 1604 O ASP B 27 -2.729 11.477 10.823 1.00 0.00 O ATOM 1605 CB ASP B 27 -3.592 14.179 8.627 1.00 0.00 C ATOM 1606 CG ASP B 27 -4.994 13.603 8.610 1.00 0.00 C ATOM 1607 OD1 ASP B 27 -5.728 13.771 9.610 1.00 0.00 O ATOM 1608 OD2 ASP B 27 -5.368 12.973 7.602 1.00 0.00 O ATOM 0 H ASP B 27 -1.100 14.468 8.781 1.00 0.00 H new ATOM 0 HA ASP B 27 -3.194 13.965 10.717 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -3.651 15.265 8.704 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -3.099 13.953 7.681 1.00 0.00 H new ATOM 1613 N GLU B 28 -2.652 11.539 8.565 1.00 0.00 N ATOM 1614 CA GLU B 28 -2.587 10.093 8.379 1.00 0.00 C ATOM 1615 C GLU B 28 -2.649 9.777 6.891 1.00 0.00 C ATOM 1616 O GLU B 28 -3.449 10.368 6.167 1.00 0.00 O ATOM 1617 CB GLU B 28 -3.746 9.390 9.098 1.00 0.00 C ATOM 1618 CG GLU B 28 -3.617 7.877 9.137 1.00 0.00 C ATOM 1619 CD GLU B 28 -4.818 7.206 9.771 1.00 0.00 C ATOM 1620 OE1 GLU B 28 -5.777 6.880 9.041 1.00 0.00 O ATOM 1621 OE2 GLU B 28 -4.815 7.002 11.004 1.00 0.00 O ATOM 0 H GLU B 28 -2.642 12.067 7.693 1.00 0.00 H new ATOM 0 HA GLU B 28 -1.651 9.731 8.804 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -3.809 9.766 10.119 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -4.681 9.653 8.603 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -3.489 7.501 8.122 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -2.719 7.607 9.693 1.00 0.00 H new ATOM 1628 N VAL B 29 -1.801 8.873 6.429 1.00 0.00 N ATOM 1629 CA VAL B 29 -1.834 8.456 5.036 1.00 0.00 C ATOM 1630 C VAL B 29 -2.065 6.956 4.942 1.00 0.00 C ATOM 1631 O VAL B 29 -1.269 6.160 5.437 1.00 0.00 O ATOM 1632 CB VAL B 29 -0.536 8.819 4.290 1.00 0.00 C ATOM 1633 CG1 VAL B 29 -0.653 8.474 2.815 1.00 0.00 C ATOM 1634 CG2 VAL B 29 -0.205 10.290 4.468 1.00 0.00 C ATOM 0 H VAL B 29 -1.085 8.416 6.994 1.00 0.00 H new ATOM 0 HA VAL B 29 -2.656 8.991 4.561 1.00 0.00 H new ATOM 0 HB VAL B 29 0.277 8.232 4.718 1.00 0.00 H new ATOM 0 HG11 VAL B 29 0.274 8.738 2.305 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -0.836 7.405 2.705 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -1.480 9.031 2.376 1.00 0.00 H new ATOM 0 HG21 VAL B 29 0.715 10.523 3.933 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -1.019 10.897 4.072 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -0.073 10.508 5.528 1.00 0.00 H new ATOM 1644 N THR B 30 -3.166 6.577 4.321 1.00 0.00 N ATOM 1645 CA THR B 30 -3.512 5.176 4.179 1.00 0.00 C ATOM 1646 C THR B 30 -3.419 4.752 2.713 1.00 0.00 C ATOM 1647 O THR B 30 -3.227 5.597 1.837 1.00 0.00 O ATOM 1648 CB THR B 30 -4.937 4.905 4.713 1.00 0.00 C ATOM 1649 OG1 THR B 30 -5.897 5.688 3.990 1.00 0.00 O ATOM 1650 CG2 THR B 30 -5.032 5.222 6.201 1.00 0.00 C ATOM 0 H THR B 30 -3.838 7.222 3.906 1.00 0.00 H new ATOM 0 HA THR B 30 -2.803 4.591 4.766 1.00 0.00 H new ATOM 0 HB THR B 30 -5.154 3.847 4.569 1.00 0.00 H new ATOM 0 HG1 THR B 30 -5.647 6.635 4.034 1.00 0.00 H new ATOM 0 HG21 THR B 30 -6.045 5.023 6.552 1.00 0.00 H new ATOM 0 HG22 THR B 30 -4.328 4.598 6.752 1.00 0.00 H new ATOM 0 HG23 THR B 30 -4.791 6.272 6.365 1.00 0.00 H new ATOM 1658 N PRO B 31 -3.561 3.446 2.417 1.00 0.00 N ATOM 1659 CA PRO B 31 -3.554 2.936 1.038 1.00 0.00 C ATOM 1660 C PRO B 31 -4.798 3.346 0.239 1.00 0.00 C ATOM 1661 O PRO B 31 -5.130 2.720 -0.764 1.00 0.00 O ATOM 1662 CB PRO B 31 -3.507 1.418 1.214 1.00 0.00 C ATOM 1663 CG PRO B 31 -4.093 1.172 2.562 1.00 0.00 C ATOM 1664 CD PRO B 31 -3.705 2.353 3.401 1.00 0.00 C ATOM 0 HA PRO B 31 -2.716 3.340 0.470 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -4.079 0.912 0.436 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -2.485 1.044 1.153 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -5.177 1.073 2.504 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -3.711 0.246 2.991 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -4.466 2.583 4.147 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -2.775 2.174 3.940 1.00 0.00 H new ATOM 1672 N VAL B 32 -5.490 4.383 0.691 1.00 0.00 N ATOM 1673 CA VAL B 32 -6.657 4.891 -0.017 1.00 0.00 C ATOM 1674 C VAL B 32 -6.441 6.360 -0.395 1.00 0.00 C ATOM 1675 O VAL B 32 -7.260 6.972 -1.082 1.00 0.00 O ATOM 1676 CB VAL B 32 -7.938 4.763 0.847 1.00 0.00 C ATOM 1677 CG1 VAL B 32 -9.190 5.003 0.014 1.00 0.00 C ATOM 1678 CG2 VAL B 32 -8.002 3.398 1.519 1.00 0.00 C ATOM 0 H VAL B 32 -5.263 4.890 1.547 1.00 0.00 H new ATOM 0 HA VAL B 32 -6.788 4.294 -0.919 1.00 0.00 H new ATOM 0 HB VAL B 32 -7.894 5.529 1.621 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -10.072 4.907 0.647 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -9.157 6.006 -0.412 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -9.238 4.269 -0.790 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -8.909 3.330 2.120 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -8.012 2.618 0.758 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -7.131 3.267 2.161 1.00 0.00 H new ATOM 1688 N ASP B 33 -5.309 6.908 0.035 1.00 0.00 N ATOM 1689 CA ASP B 33 -5.033 8.330 -0.140 1.00 0.00 C ATOM 1690 C ASP B 33 -4.079 8.580 -1.299 1.00 0.00 C ATOM 1691 O ASP B 33 -3.521 7.647 -1.879 1.00 0.00 O ATOM 1692 CB ASP B 33 -4.430 8.920 1.138 1.00 0.00 C ATOM 1693 CG ASP B 33 -5.382 8.880 2.314 1.00 0.00 C ATOM 1694 OD1 ASP B 33 -6.379 9.626 2.301 1.00 0.00 O ATOM 1695 OD2 ASP B 33 -5.137 8.100 3.260 1.00 0.00 O ATOM 0 H ASP B 33 -4.568 6.390 0.507 1.00 0.00 H new ATOM 0 HA ASP B 33 -5.983 8.816 -0.361 1.00 0.00 H new ATOM 0 HB2 ASP B 33 -3.523 8.371 1.393 1.00 0.00 H new ATOM 0 HB3 ASP B 33 -4.135 9.953 0.951 1.00 0.00 H new ATOM 1700 N ASP B 34 -3.898 9.851 -1.630 1.00 0.00 N ATOM 1701 CA ASP B 34 -2.948 10.256 -2.657 1.00 0.00 C ATOM 1702 C ASP B 34 -1.793 11.001 -2.014 1.00 0.00 C ATOM 1703 O ASP B 34 -1.952 12.151 -1.597 1.00 0.00 O ATOM 1704 CB ASP B 34 -3.593 11.184 -3.693 1.00 0.00 C ATOM 1705 CG ASP B 34 -4.785 10.576 -4.401 1.00 0.00 C ATOM 1706 OD1 ASP B 34 -4.573 9.849 -5.391 1.00 0.00 O ATOM 1707 OD2 ASP B 34 -5.931 10.866 -4.004 1.00 0.00 O ATOM 0 H ASP B 34 -4.402 10.626 -1.198 1.00 0.00 H new ATOM 0 HA ASP B 34 -2.603 9.351 -3.158 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -3.906 12.103 -3.198 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -2.844 11.461 -4.435 1.00 0.00 H new ATOM 1712 N TYR B 35 -0.636 10.373 -1.923 1.00 0.00 N ATOM 1713 CA TYR B 35 0.508 11.041 -1.329 1.00 0.00 C ATOM 1714 C TYR B 35 1.693 11.040 -2.280 1.00 0.00 C ATOM 1715 O TYR B 35 1.914 10.084 -3.021 1.00 0.00 O ATOM 1716 CB TYR B 35 0.885 10.413 0.020 1.00 0.00 C ATOM 1717 CG TYR B 35 1.636 9.097 -0.056 1.00 0.00 C ATOM 1718 CD1 TYR B 35 0.967 7.889 -0.209 1.00 0.00 C ATOM 1719 CD2 TYR B 35 3.020 9.069 0.056 1.00 0.00 C ATOM 1720 CE1 TYR B 35 1.661 6.691 -0.247 1.00 0.00 C ATOM 1721 CE2 TYR B 35 3.719 7.881 0.014 1.00 0.00 C ATOM 1722 CZ TYR B 35 3.037 6.694 -0.136 1.00 0.00 C ATOM 1723 OH TYR B 35 3.734 5.506 -0.172 1.00 0.00 O ATOM 0 H TYR B 35 -0.464 9.421 -2.245 1.00 0.00 H new ATOM 0 HA TYR B 35 0.225 12.077 -1.143 1.00 0.00 H new ATOM 0 HB2 TYR B 35 1.494 11.127 0.575 1.00 0.00 H new ATOM 0 HB3 TYR B 35 -0.027 10.257 0.595 1.00 0.00 H new ATOM 0 HD1 TYR B 35 -0.109 7.884 -0.300 1.00 0.00 H new ATOM 0 HD2 TYR B 35 3.560 9.996 0.178 1.00 0.00 H new ATOM 0 HE1 TYR B 35 1.128 5.759 -0.363 1.00 0.00 H new ATOM 0 HE2 TYR B 35 4.796 7.881 0.098 1.00 0.00 H new ATOM 0 HH TYR B 35 4.693 5.687 -0.082 1.00 0.00 H new ATOM 1733 N VAL B 36 2.428 12.135 -2.275 1.00 0.00 N ATOM 1734 CA VAL B 36 3.623 12.267 -3.089 1.00 0.00 C ATOM 1735 C VAL B 36 4.819 12.522 -2.184 1.00 0.00 C ATOM 1736 O VAL B 36 4.717 13.266 -1.208 1.00 0.00 O ATOM 1737 CB VAL B 36 3.483 13.414 -4.113 1.00 0.00 C ATOM 1738 CG1 VAL B 36 4.747 13.572 -4.947 1.00 0.00 C ATOM 1739 CG2 VAL B 36 2.285 13.174 -5.017 1.00 0.00 C ATOM 0 H VAL B 36 2.216 12.956 -1.709 1.00 0.00 H new ATOM 0 HA VAL B 36 3.767 11.341 -3.645 1.00 0.00 H new ATOM 0 HB VAL B 36 3.329 14.339 -3.557 1.00 0.00 H new ATOM 0 HG11 VAL B 36 4.614 14.388 -5.658 1.00 0.00 H new ATOM 0 HG12 VAL B 36 5.590 13.794 -4.292 1.00 0.00 H new ATOM 0 HG13 VAL B 36 4.943 12.647 -5.489 1.00 0.00 H new ATOM 0 HG21 VAL B 36 2.200 13.991 -5.733 1.00 0.00 H new ATOM 0 HG22 VAL B 36 2.416 12.234 -5.553 1.00 0.00 H new ATOM 0 HG23 VAL B 36 1.378 13.124 -4.414 1.00 0.00 H new ATOM 1749 N ILE B 37 5.938 11.887 -2.489 1.00 0.00 N ATOM 1750 CA ILE B 37 7.130 12.027 -1.672 1.00 0.00 C ATOM 1751 C ILE B 37 8.103 13.015 -2.305 1.00 0.00 C ATOM 1752 O ILE B 37 8.713 12.734 -3.342 1.00 0.00 O ATOM 1753 CB ILE B 37 7.814 10.660 -1.441 1.00 0.00 C ATOM 1754 CG1 ILE B 37 6.844 9.716 -0.718 1.00 0.00 C ATOM 1755 CG2 ILE B 37 9.097 10.828 -0.641 1.00 0.00 C ATOM 1756 CD1 ILE B 37 7.419 8.350 -0.404 1.00 0.00 C ATOM 0 H ILE B 37 6.045 11.271 -3.295 1.00 0.00 H new ATOM 0 HA ILE B 37 6.825 12.417 -0.701 1.00 0.00 H new ATOM 0 HB ILE B 37 8.077 10.228 -2.406 1.00 0.00 H new ATOM 0 HG12 ILE B 37 6.525 10.185 0.213 1.00 0.00 H new ATOM 0 HG13 ILE B 37 5.953 9.589 -1.333 1.00 0.00 H new ATOM 0 HG21 ILE B 37 9.562 9.854 -0.490 1.00 0.00 H new ATOM 0 HG22 ILE B 37 9.783 11.477 -1.185 1.00 0.00 H new ATOM 0 HG23 ILE B 37 8.867 11.274 0.327 1.00 0.00 H new ATOM 0 HD11 ILE B 37 6.668 7.748 0.106 1.00 0.00 H new ATOM 0 HD12 ILE B 37 7.711 7.857 -1.331 1.00 0.00 H new ATOM 0 HD13 ILE B 37 8.292 8.462 0.239 1.00 0.00 H new ATOM 1768 N ASP B 38 8.234 14.179 -1.676 1.00 0.00 N ATOM 1769 CA ASP B 38 9.103 15.232 -2.190 1.00 0.00 C ATOM 1770 C ASP B 38 10.463 15.161 -1.520 1.00 0.00 C ATOM 1771 O ASP B 38 10.673 15.711 -0.440 1.00 0.00 O ATOM 1772 CB ASP B 38 8.486 16.622 -1.984 1.00 0.00 C ATOM 1773 CG ASP B 38 9.340 17.728 -2.588 1.00 0.00 C ATOM 1774 OD1 ASP B 38 9.590 17.684 -3.807 1.00 0.00 O ATOM 1775 OD2 ASP B 38 9.756 18.646 -1.849 1.00 0.00 O ATOM 0 H ASP B 38 7.750 14.417 -0.810 1.00 0.00 H new ATOM 0 HA ASP B 38 9.220 15.074 -3.262 1.00 0.00 H new ATOM 0 HB2 ASP B 38 7.493 16.647 -2.433 1.00 0.00 H new ATOM 0 HB3 ASP B 38 8.358 16.806 -0.917 1.00 0.00 H new ATOM 1780 N GLY B 39 11.357 14.399 -2.130 1.00 0.00 N ATOM 1781 CA GLY B 39 12.727 14.321 -1.652 1.00 0.00 C ATOM 1782 C GLY B 39 12.879 13.499 -0.387 1.00 0.00 C ATOM 1783 O GLY B 39 13.990 13.307 0.104 1.00 0.00 O ATOM 0 H GLY B 39 11.160 13.829 -2.952 1.00 0.00 H new ATOM 0 HA2 GLY B 39 13.352 13.890 -2.434 1.00 0.00 H new ATOM 0 HA3 GLY B 39 13.097 15.329 -1.468 1.00 0.00 H new ATOM 1787 N GLY B 40 11.772 13.011 0.143 1.00 0.00 N ATOM 1788 CA GLY B 40 11.821 12.217 1.350 1.00 0.00 C ATOM 1789 C GLY B 40 10.590 12.404 2.205 1.00 0.00 C ATOM 1790 O GLY B 40 10.169 11.486 2.904 1.00 0.00 O ATOM 0 H GLY B 40 10.838 13.150 -0.242 1.00 0.00 H new ATOM 0 HA2 GLY B 40 11.922 11.164 1.087 1.00 0.00 H new ATOM 0 HA3 GLY B 40 12.706 12.488 1.926 1.00 0.00 H new ATOM 1794 N GLU B 41 9.998 13.591 2.143 1.00 0.00 N ATOM 1795 CA GLU B 41 8.805 13.871 2.925 1.00 0.00 C ATOM 1796 C GLU B 41 7.550 13.473 2.164 1.00 0.00 C ATOM 1797 O GLU B 41 7.487 13.577 0.941 1.00 0.00 O ATOM 1798 CB GLU B 41 8.731 15.346 3.323 1.00 0.00 C ATOM 1799 CG GLU B 41 9.862 15.784 4.234 1.00 0.00 C ATOM 1800 CD GLU B 41 9.567 17.091 4.942 1.00 0.00 C ATOM 1801 OE1 GLU B 41 9.669 18.158 4.304 1.00 0.00 O ATOM 1802 OE2 GLU B 41 9.236 17.053 6.144 1.00 0.00 O ATOM 0 H GLU B 41 10.322 14.366 1.565 1.00 0.00 H new ATOM 0 HA GLU B 41 8.867 13.274 3.835 1.00 0.00 H new ATOM 0 HB2 GLU B 41 8.743 15.959 2.421 1.00 0.00 H new ATOM 0 HB3 GLU B 41 7.780 15.532 3.822 1.00 0.00 H new ATOM 0 HG2 GLU B 41 10.048 15.007 4.976 1.00 0.00 H new ATOM 0 HG3 GLU B 41 10.775 15.890 3.648 1.00 0.00 H new ATOM 1809 N ILE B 42 6.565 13.005 2.908 1.00 0.00 N ATOM 1810 CA ILE B 42 5.292 12.583 2.354 1.00 0.00 C ATOM 1811 C ILE B 42 4.283 13.714 2.446 1.00 0.00 C ATOM 1812 O ILE B 42 4.138 14.332 3.496 1.00 0.00 O ATOM 1813 CB ILE B 42 4.758 11.352 3.120 1.00 0.00 C ATOM 1814 CG1 ILE B 42 5.627 10.134 2.819 1.00 0.00 C ATOM 1815 CG2 ILE B 42 3.301 11.074 2.771 1.00 0.00 C ATOM 1816 CD1 ILE B 42 5.494 9.024 3.831 1.00 0.00 C ATOM 0 H ILE B 42 6.626 12.906 3.921 1.00 0.00 H new ATOM 0 HA ILE B 42 5.440 12.316 1.308 1.00 0.00 H new ATOM 0 HB ILE B 42 4.806 11.565 4.188 1.00 0.00 H new ATOM 0 HG12 ILE B 42 5.365 9.748 1.834 1.00 0.00 H new ATOM 0 HG13 ILE B 42 6.670 10.447 2.772 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.954 10.202 3.326 1.00 0.00 H new ATOM 0 HG22 ILE B 42 2.692 11.938 3.036 1.00 0.00 H new ATOM 0 HG23 ILE B 42 3.213 10.882 1.702 1.00 0.00 H new ATOM 0 HD11 ILE B 42 6.142 8.194 3.548 1.00 0.00 H new ATOM 0 HD12 ILE B 42 5.784 9.392 4.815 1.00 0.00 H new ATOM 0 HD13 ILE B 42 4.459 8.682 3.862 1.00 0.00 H new ATOM 1828 N ILE B 43 3.610 14.014 1.345 1.00 0.00 N ATOM 1829 CA ILE B 43 2.569 15.029 1.357 1.00 0.00 C ATOM 1830 C ILE B 43 1.328 14.521 0.633 1.00 0.00 C ATOM 1831 O ILE B 43 1.403 14.129 -0.534 1.00 0.00 O ATOM 1832 CB ILE B 43 3.014 16.356 0.686 1.00 0.00 C ATOM 1833 CG1 ILE B 43 4.380 16.827 1.203 1.00 0.00 C ATOM 1834 CG2 ILE B 43 1.975 17.439 0.928 1.00 0.00 C ATOM 1835 CD1 ILE B 43 5.556 16.253 0.441 1.00 0.00 C ATOM 0 H ILE B 43 3.765 13.572 0.439 1.00 0.00 H new ATOM 0 HA ILE B 43 2.353 15.231 2.406 1.00 0.00 H new ATOM 0 HB ILE B 43 3.106 16.167 -0.383 1.00 0.00 H new ATOM 0 HG12 ILE B 43 4.422 17.915 1.151 1.00 0.00 H new ATOM 0 HG13 ILE B 43 4.473 16.555 2.254 1.00 0.00 H new ATOM 0 HG21 ILE B 43 2.298 18.365 0.453 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.020 17.128 0.505 1.00 0.00 H new ATOM 0 HG23 ILE B 43 1.862 17.601 2.000 1.00 0.00 H new ATOM 0 HD11 ILE B 43 6.485 16.633 0.866 1.00 0.00 H new ATOM 0 HD12 ILE B 43 5.541 15.166 0.514 1.00 0.00 H new ATOM 0 HD13 ILE B 43 5.489 16.547 -0.607 1.00 0.00 H new ATOM 1847 N LEU B 44 0.199 14.499 1.332 1.00 0.00 N ATOM 1848 CA LEU B 44 -1.079 14.209 0.690 1.00 0.00 C ATOM 1849 C LEU B 44 -1.376 15.272 -0.346 1.00 0.00 C ATOM 1850 O LEU B 44 -1.063 16.441 -0.135 1.00 0.00 O ATOM 1851 CB LEU B 44 -2.220 14.186 1.710 1.00 0.00 C ATOM 1852 CG LEU B 44 -2.181 13.033 2.701 1.00 0.00 C ATOM 1853 CD1 LEU B 44 -3.272 13.189 3.748 1.00 0.00 C ATOM 1854 CD2 LEU B 44 -2.321 11.706 1.974 1.00 0.00 C ATOM 0 H LEU B 44 0.141 14.677 2.335 1.00 0.00 H new ATOM 0 HA LEU B 44 -1.006 13.227 0.222 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -2.207 15.123 2.267 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -3.167 14.149 1.171 1.00 0.00 H new ATOM 0 HG LEU B 44 -1.217 13.047 3.210 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -3.227 12.354 4.447 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -3.126 14.124 4.289 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -4.246 13.201 3.259 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -2.291 10.890 2.697 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -3.270 11.683 1.439 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -1.502 11.592 1.264 1.00 0.00 H new ATOM 1866 N ARG B 45 -1.997 14.887 -1.444 1.00 0.00 N ATOM 1867 CA ARG B 45 -2.359 15.851 -2.475 1.00 0.00 C ATOM 1868 C ARG B 45 -3.463 16.778 -1.998 1.00 0.00 C ATOM 1869 O ARG B 45 -3.892 17.666 -2.730 1.00 0.00 O ATOM 1870 CB ARG B 45 -2.733 15.180 -3.785 1.00 0.00 C ATOM 1871 CG ARG B 45 -1.528 14.926 -4.669 1.00 0.00 C ATOM 1872 CD ARG B 45 -1.929 14.602 -6.093 1.00 0.00 C ATOM 1873 NE ARG B 45 -2.664 13.354 -6.153 1.00 0.00 N ATOM 1874 CZ ARG B 45 -3.333 12.932 -7.232 1.00 0.00 C ATOM 1875 NH1 ARG B 45 -3.397 13.694 -8.317 1.00 0.00 N ATOM 1876 NH2 ARG B 45 -3.952 11.757 -7.235 1.00 0.00 N ATOM 0 H ARG B 45 -2.261 13.923 -1.648 1.00 0.00 H new ATOM 0 HA ARG B 45 -1.472 16.454 -2.670 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -3.233 14.234 -3.576 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -3.447 15.806 -4.320 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -0.883 15.805 -4.665 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -0.945 14.101 -4.260 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -2.542 15.409 -6.495 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -1.039 14.535 -6.719 1.00 0.00 H new ATOM 0 HE ARG B 45 -2.672 12.762 -5.322 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -2.935 14.604 -8.329 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -3.908 13.370 -9.138 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -3.921 11.162 -6.407 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -4.458 11.449 -8.065 1.00 0.00 H new ATOM 1890 N GLU B 46 -3.916 16.575 -0.767 1.00 0.00 N ATOM 1891 CA GLU B 46 -4.818 17.524 -0.142 1.00 0.00 C ATOM 1892 C GLU B 46 -4.057 18.809 0.158 1.00 0.00 C ATOM 1893 O GLU B 46 -4.630 19.895 0.209 1.00 0.00 O ATOM 1894 CB GLU B 46 -5.404 16.956 1.148 1.00 0.00 C ATOM 1895 CG GLU B 46 -6.071 15.602 0.977 1.00 0.00 C ATOM 1896 CD GLU B 46 -6.804 15.162 2.225 1.00 0.00 C ATOM 1897 OE1 GLU B 46 -6.144 14.937 3.258 1.00 0.00 O ATOM 1898 OE2 GLU B 46 -8.051 15.057 2.178 1.00 0.00 O ATOM 0 H GLU B 46 -3.675 15.769 -0.190 1.00 0.00 H new ATOM 0 HA GLU B 46 -5.642 17.728 -0.825 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -4.609 16.868 1.889 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -6.133 17.662 1.546 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -6.772 15.647 0.143 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -5.317 14.858 0.720 1.00 0.00 H new ATOM 1905 N ASN B 47 -2.745 18.668 0.352 1.00 0.00 N ATOM 1906 CA ASN B 47 -1.890 19.802 0.664 1.00 0.00 C ATOM 1907 C ASN B 47 -0.675 19.846 -0.266 1.00 0.00 C ATOM 1908 O ASN B 47 0.186 20.716 -0.127 1.00 0.00 O ATOM 1909 CB ASN B 47 -1.410 19.733 2.121 1.00 0.00 C ATOM 1910 CG ASN B 47 -2.548 19.625 3.121 1.00 0.00 C ATOM 1911 OD1 ASN B 47 -3.126 20.630 3.534 1.00 0.00 O ATOM 1912 ND2 ASN B 47 -2.851 18.406 3.544 1.00 0.00 N ATOM 0 H ASN B 47 -2.255 17.775 0.297 1.00 0.00 H new ATOM 0 HA ASN B 47 -2.480 20.707 0.520 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -0.749 18.875 2.239 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -0.821 20.622 2.345 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -3.588 18.275 4.237 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -2.348 17.599 3.176 1.00 0.00 H new ATOM 1919 N LEU B 48 -0.610 18.910 -1.220 1.00 0.00 N ATOM 1920 CA LEU B 48 0.554 18.800 -2.107 1.00 0.00 C ATOM 1921 C LEU B 48 0.770 20.098 -2.874 1.00 0.00 C ATOM 1922 O LEU B 48 1.901 20.557 -3.032 1.00 0.00 O ATOM 1923 CB LEU B 48 0.420 17.635 -3.109 1.00 0.00 C ATOM 1924 CG LEU B 48 1.627 17.485 -4.041 1.00 0.00 C ATOM 1925 CD1 LEU B 48 2.828 16.948 -3.279 1.00 0.00 C ATOM 1926 CD2 LEU B 48 1.297 16.592 -5.223 1.00 0.00 C ATOM 0 H LEU B 48 -1.343 18.223 -1.397 1.00 0.00 H new ATOM 0 HA LEU B 48 1.414 18.600 -1.468 1.00 0.00 H new ATOM 0 HB2 LEU B 48 0.281 16.706 -2.556 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -0.476 17.786 -3.711 1.00 0.00 H new ATOM 0 HG LEU B 48 1.879 18.472 -4.428 1.00 0.00 H new ATOM 0 HD11 LEU B 48 3.675 16.848 -3.958 1.00 0.00 H new ATOM 0 HD12 LEU B 48 3.087 17.637 -2.475 1.00 0.00 H new ATOM 0 HD13 LEU B 48 2.585 15.973 -2.857 1.00 0.00 H new ATOM 0 HD21 LEU B 48 2.172 16.503 -5.867 1.00 0.00 H new ATOM 0 HD22 LEU B 48 1.010 15.604 -4.863 1.00 0.00 H new ATOM 0 HD23 LEU B 48 0.472 17.026 -5.788 1.00 0.00 H new ATOM 1938 N GLU B 49 -0.330 20.688 -3.322 1.00 0.00 N ATOM 1939 CA GLU B 49 -0.296 21.920 -4.101 1.00 0.00 C ATOM 1940 C GLU B 49 0.454 23.026 -3.364 1.00 0.00 C ATOM 1941 O GLU B 49 1.263 23.743 -3.956 1.00 0.00 O ATOM 1942 CB GLU B 49 -1.727 22.370 -4.405 1.00 0.00 C ATOM 1943 CG GLU B 49 -2.545 21.327 -5.151 1.00 0.00 C ATOM 1944 CD GLU B 49 -1.990 21.027 -6.527 1.00 0.00 C ATOM 1945 OE1 GLU B 49 -1.096 20.163 -6.641 1.00 0.00 O ATOM 1946 OE2 GLU B 49 -2.446 21.654 -7.505 1.00 0.00 O ATOM 0 H GLU B 49 -1.270 20.328 -3.156 1.00 0.00 H new ATOM 0 HA GLU B 49 0.235 21.722 -5.032 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -2.230 22.613 -3.469 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -1.694 23.285 -4.996 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -2.574 20.407 -4.567 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -3.573 21.677 -5.246 1.00 0.00 H new ATOM 1953 N ARG B 50 0.209 23.140 -2.065 1.00 0.00 N ATOM 1954 CA ARG B 50 0.814 24.205 -1.279 1.00 0.00 C ATOM 1955 C ARG B 50 2.285 23.908 -1.017 1.00 0.00 C ATOM 1956 O ARG B 50 3.126 24.802 -1.084 1.00 0.00 O ATOM 1957 CB ARG B 50 0.086 24.390 0.049 1.00 0.00 C ATOM 1958 CG ARG B 50 0.389 25.724 0.708 1.00 0.00 C ATOM 1959 CD ARG B 50 -0.121 25.776 2.134 1.00 0.00 C ATOM 1960 NE ARG B 50 -0.278 27.151 2.605 1.00 0.00 N ATOM 1961 CZ ARG B 50 0.453 27.705 3.575 1.00 0.00 C ATOM 1962 NH1 ARG B 50 1.511 27.074 4.066 1.00 0.00 N ATOM 1963 NH2 ARG B 50 0.151 28.919 4.018 1.00 0.00 N ATOM 0 H ARG B 50 -0.399 22.513 -1.538 1.00 0.00 H new ATOM 0 HA ARG B 50 0.731 25.127 -1.854 1.00 0.00 H new ATOM 0 HB2 ARG B 50 -0.988 24.308 -0.117 1.00 0.00 H new ATOM 0 HB3 ARG B 50 0.366 23.584 0.727 1.00 0.00 H new ATOM 0 HG2 ARG B 50 1.465 25.897 0.700 1.00 0.00 H new ATOM 0 HG3 ARG B 50 -0.067 26.527 0.129 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -1.078 25.259 2.197 1.00 0.00 H new ATOM 0 HD3 ARG B 50 0.571 25.245 2.787 1.00 0.00 H new ATOM 0 HE ARG B 50 -0.995 27.726 2.162 1.00 0.00 H new ATOM 0 HH11 ARG B 50 1.772 26.157 3.703 1.00 0.00 H new ATOM 0 HH12 ARG B 50 2.064 27.505 4.807 1.00 0.00 H new ATOM 0 HH21 ARG B 50 -0.638 29.426 3.617 1.00 0.00 H new ATOM 0 HH22 ARG B 50 0.708 29.345 4.759 1.00 0.00 H new ATOM 1977 N TYR B 51 2.597 22.647 -0.738 1.00 0.00 N ATOM 1978 CA TYR B 51 3.972 22.262 -0.455 1.00 0.00 C ATOM 1979 C TYR B 51 4.842 22.463 -1.690 1.00 0.00 C ATOM 1980 O TYR B 51 6.012 22.823 -1.582 1.00 0.00 O ATOM 1981 CB TYR B 51 4.058 20.808 0.029 1.00 0.00 C ATOM 1982 CG TYR B 51 5.418 20.452 0.594 1.00 0.00 C ATOM 1983 CD1 TYR B 51 5.770 20.819 1.889 1.00 0.00 C ATOM 1984 CD2 TYR B 51 6.360 19.774 -0.172 1.00 0.00 C ATOM 1985 CE1 TYR B 51 7.016 20.513 2.407 1.00 0.00 C ATOM 1986 CE2 TYR B 51 7.610 19.471 0.337 1.00 0.00 C ATOM 1987 CZ TYR B 51 7.933 19.843 1.625 1.00 0.00 C ATOM 1988 OH TYR B 51 9.184 19.555 2.125 1.00 0.00 O ATOM 0 H TYR B 51 1.923 21.882 -0.702 1.00 0.00 H new ATOM 0 HA TYR B 51 4.341 22.902 0.346 1.00 0.00 H new ATOM 0 HB2 TYR B 51 3.298 20.639 0.792 1.00 0.00 H new ATOM 0 HB3 TYR B 51 3.830 20.140 -0.802 1.00 0.00 H new ATOM 0 HD1 TYR B 51 5.058 21.352 2.501 1.00 0.00 H new ATOM 0 HD2 TYR B 51 6.112 19.479 -1.181 1.00 0.00 H new ATOM 0 HE1 TYR B 51 7.269 20.797 3.418 1.00 0.00 H new ATOM 0 HE2 TYR B 51 8.330 18.945 -0.272 1.00 0.00 H new ATOM 0 HH TYR B 51 9.102 19.240 3.049 1.00 0.00 H new ATOM 1998 N LEU B 52 4.266 22.245 -2.866 1.00 0.00 N ATOM 1999 CA LEU B 52 4.989 22.473 -4.110 1.00 0.00 C ATOM 2000 C LEU B 52 5.164 23.965 -4.362 1.00 0.00 C ATOM 2001 O LEU B 52 6.134 24.394 -4.981 1.00 0.00 O ATOM 2002 CB LEU B 52 4.273 21.812 -5.290 1.00 0.00 C ATOM 2003 CG LEU B 52 4.116 20.293 -5.185 1.00 0.00 C ATOM 2004 CD1 LEU B 52 3.712 19.706 -6.528 1.00 0.00 C ATOM 2005 CD2 LEU B 52 5.401 19.651 -4.680 1.00 0.00 C ATOM 0 H LEU B 52 3.309 21.913 -2.984 1.00 0.00 H new ATOM 0 HA LEU B 52 5.975 22.019 -4.014 1.00 0.00 H new ATOM 0 HB2 LEU B 52 3.284 22.258 -5.391 1.00 0.00 H new ATOM 0 HB3 LEU B 52 4.821 22.043 -6.203 1.00 0.00 H new ATOM 0 HG LEU B 52 3.326 20.079 -4.465 1.00 0.00 H new ATOM 0 HD11 LEU B 52 3.605 18.625 -6.435 1.00 0.00 H new ATOM 0 HD12 LEU B 52 2.763 20.139 -6.844 1.00 0.00 H new ATOM 0 HD13 LEU B 52 4.478 19.932 -7.269 1.00 0.00 H new ATOM 0 HD21 LEU B 52 5.266 18.571 -4.613 1.00 0.00 H new ATOM 0 HD22 LEU B 52 6.215 19.873 -5.371 1.00 0.00 H new ATOM 0 HD23 LEU B 52 5.643 20.048 -3.694 1.00 0.00 H new ATOM 2017 N ARG B 53 4.221 24.754 -3.870 1.00 0.00 N ATOM 2018 CA ARG B 53 4.326 26.202 -3.939 1.00 0.00 C ATOM 2019 C ARG B 53 5.497 26.686 -3.090 1.00 0.00 C ATOM 2020 O ARG B 53 6.350 27.450 -3.553 1.00 0.00 O ATOM 2021 CB ARG B 53 3.033 26.851 -3.437 1.00 0.00 C ATOM 2022 CG ARG B 53 3.100 28.367 -3.368 1.00 0.00 C ATOM 2023 CD ARG B 53 2.486 28.896 -2.079 1.00 0.00 C ATOM 2024 NE ARG B 53 1.065 28.582 -1.963 1.00 0.00 N ATOM 2025 CZ ARG B 53 0.219 29.254 -1.190 1.00 0.00 C ATOM 2026 NH1 ARG B 53 0.656 30.244 -0.419 1.00 0.00 N ATOM 2027 NH2 ARG B 53 -1.065 28.918 -1.181 1.00 0.00 N ATOM 0 H ARG B 53 3.372 24.414 -3.418 1.00 0.00 H new ATOM 0 HA ARG B 53 4.492 26.486 -4.978 1.00 0.00 H new ATOM 0 HB2 ARG B 53 2.212 26.562 -4.094 1.00 0.00 H new ATOM 0 HB3 ARG B 53 2.801 26.460 -2.446 1.00 0.00 H new ATOM 0 HG2 ARG B 53 4.139 28.690 -3.436 1.00 0.00 H new ATOM 0 HG3 ARG B 53 2.577 28.794 -4.223 1.00 0.00 H new ATOM 0 HD2 ARG B 53 3.018 28.473 -1.227 1.00 0.00 H new ATOM 0 HD3 ARG B 53 2.620 29.977 -2.034 1.00 0.00 H new ATOM 0 HE ARG B 53 0.700 27.801 -2.508 1.00 0.00 H new ATOM 0 HH11 ARG B 53 1.646 30.491 -0.419 1.00 0.00 H new ATOM 0 HH12 ARG B 53 0.002 30.757 0.172 1.00 0.00 H new ATOM 0 HH21 ARG B 53 -1.395 28.149 -1.765 1.00 0.00 H new ATOM 0 HH22 ARG B 53 -1.722 29.428 -0.591 1.00 0.00 H new ATOM 2041 N GLU B 54 5.533 26.223 -1.848 1.00 0.00 N ATOM 2042 CA GLU B 54 6.505 26.700 -0.878 1.00 0.00 C ATOM 2043 C GLU B 54 7.869 26.036 -1.052 1.00 0.00 C ATOM 2044 O GLU B 54 8.892 26.721 -1.101 1.00 0.00 O ATOM 2045 CB GLU B 54 5.986 26.470 0.540 1.00 0.00 C ATOM 2046 CG GLU B 54 4.623 27.094 0.786 1.00 0.00 C ATOM 2047 CD GLU B 54 4.173 26.967 2.224 1.00 0.00 C ATOM 2048 OE1 GLU B 54 3.544 25.946 2.566 1.00 0.00 O ATOM 2049 OE2 GLU B 54 4.441 27.901 3.013 1.00 0.00 O ATOM 0 H GLU B 54 4.895 25.513 -1.488 1.00 0.00 H new ATOM 0 HA GLU B 54 6.640 27.768 -1.050 1.00 0.00 H new ATOM 0 HB2 GLU B 54 5.927 25.398 0.729 1.00 0.00 H new ATOM 0 HB3 GLU B 54 6.701 26.881 1.253 1.00 0.00 H new ATOM 0 HG2 GLU B 54 4.656 28.148 0.512 1.00 0.00 H new ATOM 0 HG3 GLU B 54 3.888 26.619 0.136 1.00 0.00 H new ATOM 2056 N GLN B 55 7.893 24.715 -1.161 1.00 0.00 N ATOM 2057 CA GLN B 55 9.156 23.994 -1.201 1.00 0.00 C ATOM 2058 C GLN B 55 9.589 23.705 -2.632 1.00 0.00 C ATOM 2059 O GLN B 55 10.555 24.299 -3.121 1.00 0.00 O ATOM 2060 CB GLN B 55 9.013 22.671 -0.436 1.00 0.00 C ATOM 2061 CG GLN B 55 10.257 21.794 -0.459 1.00 0.00 C ATOM 2062 CD GLN B 55 11.341 22.297 0.468 1.00 0.00 C ATOM 2063 OE1 GLN B 55 12.183 23.107 0.080 1.00 0.00 O ATOM 2064 NE2 GLN B 55 11.335 21.805 1.697 1.00 0.00 N ATOM 0 H GLN B 55 7.062 24.127 -1.223 1.00 0.00 H new ATOM 0 HA GLN B 55 9.918 24.620 -0.735 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.757 22.891 0.601 1.00 0.00 H new ATOM 0 HB3 GLN B 55 8.180 22.110 -0.858 1.00 0.00 H new ATOM 0 HG2 GLN B 55 9.985 20.777 -0.176 1.00 0.00 H new ATOM 0 HG3 GLN B 55 10.646 21.749 -1.476 1.00 0.00 H new ATOM 0 HE21 GLN B 55 10.617 21.136 1.975 1.00 0.00 H new ATOM 0 HE22 GLN B 55 12.048 22.095 2.366 1.00 0.00 H new ATOM 2073 N LEU B 56 8.828 22.837 -3.311 1.00 0.00 N ATOM 2074 CA LEU B 56 9.212 22.318 -4.629 1.00 0.00 C ATOM 2075 C LEU B 56 10.703 21.967 -4.626 1.00 0.00 C ATOM 2076 O LEU B 56 11.421 22.220 -5.597 1.00 0.00 O ATOM 2077 CB LEU B 56 8.925 23.355 -5.719 1.00 0.00 C ATOM 2078 CG LEU B 56 8.780 22.787 -7.133 1.00 0.00 C ATOM 2079 CD1 LEU B 56 7.352 22.332 -7.380 1.00 0.00 C ATOM 2080 CD2 LEU B 56 9.207 23.810 -8.171 1.00 0.00 C ATOM 0 H LEU B 56 7.938 22.478 -2.966 1.00 0.00 H new ATOM 0 HA LEU B 56 8.626 21.423 -4.839 1.00 0.00 H new ATOM 0 HB2 LEU B 56 8.008 23.886 -5.462 1.00 0.00 H new ATOM 0 HB3 LEU B 56 9.730 24.090 -5.720 1.00 0.00 H new ATOM 0 HG LEU B 56 9.436 21.921 -7.223 1.00 0.00 H new ATOM 0 HD11 LEU B 56 7.267 21.931 -8.390 1.00 0.00 H new ATOM 0 HD12 LEU B 56 7.087 21.559 -6.659 1.00 0.00 H new ATOM 0 HD13 LEU B 56 6.676 23.179 -7.268 1.00 0.00 H new ATOM 0 HD21 LEU B 56 9.096 23.385 -9.168 1.00 0.00 H new ATOM 0 HD22 LEU B 56 8.583 24.699 -8.084 1.00 0.00 H new ATOM 0 HD23 LEU B 56 10.250 24.081 -8.007 1.00 0.00 H new ATOM 2092 N GLY B 57 11.158 21.388 -3.527 1.00 0.00 N ATOM 2093 CA GLY B 57 12.578 21.295 -3.282 1.00 0.00 C ATOM 2094 C GLY B 57 13.166 19.942 -3.581 1.00 0.00 C ATOM 2095 O GLY B 57 14.366 19.849 -3.858 1.00 0.00 O ATOM 0 H GLY B 57 10.568 20.981 -2.801 1.00 0.00 H new ATOM 0 HA2 GLY B 57 13.090 22.043 -3.887 1.00 0.00 H new ATOM 0 HA3 GLY B 57 12.773 21.541 -2.238 1.00 0.00 H new ATOM 2099 N PHE B 58 12.335 18.893 -3.538 1.00 0.00 N ATOM 2100 CA PHE B 58 12.810 17.520 -3.718 1.00 0.00 C ATOM 2101 C PHE B 58 13.933 17.287 -2.723 1.00 0.00 C ATOM 2102 O PHE B 58 13.948 17.889 -1.647 1.00 0.00 O ATOM 2103 CB PHE B 58 13.316 17.269 -5.158 1.00 0.00 C ATOM 2104 CG PHE B 58 12.856 18.270 -6.192 1.00 0.00 C ATOM 2105 CD1 PHE B 58 11.523 18.635 -6.304 1.00 0.00 C ATOM 2106 CD2 PHE B 58 13.778 18.853 -7.050 1.00 0.00 C ATOM 2107 CE1 PHE B 58 11.121 19.561 -7.250 1.00 0.00 C ATOM 2108 CE2 PHE B 58 13.381 19.776 -7.997 1.00 0.00 C ATOM 2109 CZ PHE B 58 12.051 20.129 -8.099 1.00 0.00 C ATOM 0 H PHE B 58 11.330 18.971 -3.380 1.00 0.00 H new ATOM 0 HA PHE B 58 11.985 16.828 -3.548 1.00 0.00 H new ATOM 0 HB2 PHE B 58 14.406 17.261 -5.145 1.00 0.00 H new ATOM 0 HB3 PHE B 58 12.993 16.276 -5.470 1.00 0.00 H new ATOM 0 HD1 PHE B 58 10.791 18.192 -5.646 1.00 0.00 H new ATOM 0 HD2 PHE B 58 14.821 18.581 -6.976 1.00 0.00 H new ATOM 0 HE1 PHE B 58 10.080 19.840 -7.325 1.00 0.00 H new ATOM 0 HE2 PHE B 58 14.111 20.221 -8.657 1.00 0.00 H new ATOM 0 HZ PHE B 58 11.738 20.848 -8.841 1.00 0.00 H new ATOM 2119 N GLU B 59 14.857 16.411 -3.040 1.00 0.00 N ATOM 2120 CA GLU B 59 16.120 16.444 -2.348 1.00 0.00 C ATOM 2121 C GLU B 59 17.200 16.769 -3.362 1.00 0.00 C ATOM 2122 O GLU B 59 17.635 15.915 -4.132 1.00 0.00 O ATOM 2123 CB GLU B 59 16.395 15.133 -1.617 1.00 0.00 C ATOM 2124 CG GLU B 59 17.661 15.164 -0.777 1.00 0.00 C ATOM 2125 CD GLU B 59 17.683 16.324 0.205 1.00 0.00 C ATOM 2126 OE1 GLU B 59 18.086 17.439 -0.195 1.00 0.00 O ATOM 2127 OE2 GLU B 59 17.312 16.128 1.380 1.00 0.00 O ATOM 0 H GLU B 59 14.763 15.687 -3.752 1.00 0.00 H new ATOM 0 HA GLU B 59 16.102 17.213 -1.576 1.00 0.00 H new ATOM 0 HB2 GLU B 59 15.547 14.900 -0.974 1.00 0.00 H new ATOM 0 HB3 GLU B 59 16.472 14.328 -2.347 1.00 0.00 H new ATOM 0 HG2 GLU B 59 17.751 14.227 -0.228 1.00 0.00 H new ATOM 0 HG3 GLU B 59 18.527 15.233 -1.435 1.00 0.00 H new ATOM 2134 N PHE B 60 17.625 18.018 -3.353 1.00 0.00 N ATOM 2135 CA PHE B 60 18.523 18.525 -4.366 1.00 0.00 C ATOM 2136 C PHE B 60 19.900 18.715 -3.773 1.00 0.00 C ATOM 2137 O PHE B 60 20.105 19.576 -2.915 1.00 0.00 O ATOM 2138 CB PHE B 60 17.993 19.848 -4.921 1.00 0.00 C ATOM 2139 CG PHE B 60 18.264 20.036 -6.385 1.00 0.00 C ATOM 2140 CD1 PHE B 60 17.351 19.583 -7.325 1.00 0.00 C ATOM 2141 CD2 PHE B 60 19.419 20.662 -6.825 1.00 0.00 C ATOM 2142 CE1 PHE B 60 17.584 19.746 -8.674 1.00 0.00 C ATOM 2143 CE2 PHE B 60 19.658 20.830 -8.178 1.00 0.00 C ATOM 2144 CZ PHE B 60 18.738 20.370 -9.103 1.00 0.00 C ATOM 0 H PHE B 60 17.358 18.704 -2.647 1.00 0.00 H new ATOM 0 HA PHE B 60 18.586 17.808 -5.184 1.00 0.00 H new ATOM 0 HB2 PHE B 60 16.918 19.900 -4.749 1.00 0.00 H new ATOM 0 HB3 PHE B 60 18.444 20.672 -4.368 1.00 0.00 H new ATOM 0 HD1 PHE B 60 16.445 19.096 -6.996 1.00 0.00 H new ATOM 0 HD2 PHE B 60 20.140 21.022 -6.106 1.00 0.00 H new ATOM 0 HE1 PHE B 60 16.864 19.386 -9.394 1.00 0.00 H new ATOM 0 HE2 PHE B 60 20.561 21.319 -8.511 1.00 0.00 H new ATOM 0 HZ PHE B 60 18.922 20.499 -10.159 1.00 0.00 H new ATOM 2154 N LYS B 61 20.836 17.902 -4.218 1.00 0.00 N ATOM 2155 CA LYS B 61 22.169 17.912 -3.658 1.00 0.00 C ATOM 2156 C LYS B 61 23.213 18.132 -4.741 1.00 0.00 C ATOM 2157 O LYS B 61 22.901 18.487 -5.880 1.00 0.00 O ATOM 2158 CB LYS B 61 22.458 16.586 -2.934 1.00 0.00 C ATOM 2159 CG LYS B 61 21.584 16.329 -1.717 1.00 0.00 C ATOM 2160 CD LYS B 61 21.806 17.378 -0.639 1.00 0.00 C ATOM 2161 CE LYS B 61 20.999 17.068 0.610 1.00 0.00 C ATOM 2162 NZ LYS B 61 21.005 18.199 1.574 1.00 0.00 N ATOM 0 H LYS B 61 20.696 17.225 -4.968 1.00 0.00 H new ATOM 0 HA LYS B 61 22.223 18.734 -2.944 1.00 0.00 H new ATOM 0 HB2 LYS B 61 22.327 15.765 -3.639 1.00 0.00 H new ATOM 0 HB3 LYS B 61 23.503 16.576 -2.624 1.00 0.00 H new ATOM 0 HG2 LYS B 61 20.535 16.328 -2.015 1.00 0.00 H new ATOM 0 HG3 LYS B 61 21.802 15.340 -1.314 1.00 0.00 H new ATOM 0 HD2 LYS B 61 22.866 17.425 -0.387 1.00 0.00 H new ATOM 0 HD3 LYS B 61 21.526 18.360 -1.021 1.00 0.00 H new ATOM 0 HE2 LYS B 61 19.971 16.837 0.329 1.00 0.00 H new ATOM 0 HE3 LYS B 61 21.405 16.179 1.092 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 20.443 17.945 2.411 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 21.983 18.404 1.863 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 20.594 19.041 1.124 1.00 0.00 H new ATOM 2176 N ASN B 62 24.449 17.937 -4.337 1.00 0.00 N ATOM 2177 CA ASN B 62 25.606 17.938 -5.207 1.00 0.00 C ATOM 2178 C ASN B 62 26.761 17.415 -4.374 1.00 0.00 C ATOM 2179 O ASN B 62 26.517 16.751 -3.366 1.00 0.00 O ATOM 2180 CB ASN B 62 25.895 19.340 -5.783 1.00 0.00 C ATOM 2181 CG ASN B 62 26.040 20.425 -4.731 1.00 0.00 C ATOM 2182 OD1 ASN B 62 27.132 20.670 -4.218 1.00 0.00 O ATOM 2183 ND2 ASN B 62 24.944 21.104 -4.425 1.00 0.00 N ATOM 0 H ASN B 62 24.685 17.767 -3.359 1.00 0.00 H new ATOM 0 HA ASN B 62 25.438 17.306 -6.079 1.00 0.00 H new ATOM 0 HB2 ASN B 62 26.810 19.297 -6.373 1.00 0.00 H new ATOM 0 HB3 ASN B 62 25.089 19.614 -6.464 1.00 0.00 H new ATOM 0 HD21 ASN B 62 24.987 21.860 -3.742 1.00 0.00 H new ATOM 0 HD22 ASN B 62 24.058 20.870 -4.872 1.00 0.00 H new ATOM 2190 N ALA B 63 27.993 17.687 -4.763 1.00 0.00 N ATOM 2191 CA ALA B 63 29.138 17.244 -3.970 1.00 0.00 C ATOM 2192 C ALA B 63 29.151 17.906 -2.587 1.00 0.00 C ATOM 2193 O ALA B 63 29.875 17.477 -1.694 1.00 0.00 O ATOM 2194 CB ALA B 63 30.436 17.517 -4.708 1.00 0.00 C ATOM 0 H ALA B 63 28.231 18.204 -5.609 1.00 0.00 H new ATOM 0 HA ALA B 63 29.044 16.168 -3.821 1.00 0.00 H new ATOM 0 HB1 ALA B 63 31.277 17.180 -4.102 1.00 0.00 H new ATOM 0 HB2 ALA B 63 30.435 16.980 -5.657 1.00 0.00 H new ATOM 0 HB3 ALA B 63 30.530 18.587 -4.896 1.00 0.00 H new ATOM 2200 N GLN B 64 28.354 18.971 -2.433 1.00 0.00 N ATOM 2201 CA GLN B 64 28.191 19.672 -1.152 1.00 0.00 C ATOM 2202 C GLN B 64 29.517 20.250 -0.668 1.00 0.00 C ATOM 2203 O GLN B 64 29.677 20.578 0.508 1.00 0.00 O ATOM 2204 CB GLN B 64 27.604 18.735 -0.083 1.00 0.00 C ATOM 2205 CG GLN B 64 26.257 18.130 -0.454 1.00 0.00 C ATOM 2206 CD GLN B 64 25.184 19.171 -0.710 1.00 0.00 C ATOM 2207 OE1 GLN B 64 25.009 19.636 -1.833 1.00 0.00 O ATOM 2208 NE2 GLN B 64 24.449 19.537 0.326 1.00 0.00 N ATOM 0 H GLN B 64 27.804 19.371 -3.193 1.00 0.00 H new ATOM 0 HA GLN B 64 27.495 20.495 -1.315 1.00 0.00 H new ATOM 0 HB2 GLN B 64 28.312 17.928 0.105 1.00 0.00 H new ATOM 0 HB3 GLN B 64 27.496 19.289 0.850 1.00 0.00 H new ATOM 0 HG2 GLN B 64 26.376 17.514 -1.345 1.00 0.00 H new ATOM 0 HG3 GLN B 64 25.929 17.470 0.349 1.00 0.00 H new ATOM 0 HE21 GLN B 64 24.623 19.129 1.244 1.00 0.00 H new ATOM 0 HE22 GLN B 64 23.708 20.227 0.207 1.00 0.00 H new ATOM 2217 N LEU B 65 30.455 20.404 -1.592 1.00 0.00 N ATOM 2218 CA LEU B 65 31.792 20.869 -1.255 1.00 0.00 C ATOM 2219 C LEU B 65 31.804 22.363 -0.966 1.00 0.00 C ATOM 2220 O LEU B 65 32.669 22.842 -0.230 1.00 0.00 O ATOM 2221 CB LEU B 65 32.769 20.556 -2.393 1.00 0.00 C ATOM 2222 CG LEU B 65 32.992 19.069 -2.675 1.00 0.00 C ATOM 2223 CD1 LEU B 65 33.921 18.889 -3.864 1.00 0.00 C ATOM 2224 CD2 LEU B 65 33.557 18.371 -1.449 1.00 0.00 C ATOM 0 H LEU B 65 30.313 20.213 -2.584 1.00 0.00 H new ATOM 0 HA LEU B 65 32.106 20.343 -0.354 1.00 0.00 H new ATOM 0 HB2 LEU B 65 32.404 21.030 -3.304 1.00 0.00 H new ATOM 0 HB3 LEU B 65 33.731 21.013 -2.159 1.00 0.00 H new ATOM 0 HG LEU B 65 32.030 18.616 -2.915 1.00 0.00 H new ATOM 0 HD11 LEU B 65 34.070 17.826 -4.052 1.00 0.00 H new ATOM 0 HD12 LEU B 65 33.479 19.355 -4.745 1.00 0.00 H new ATOM 0 HD13 LEU B 65 34.882 19.357 -3.649 1.00 0.00 H new ATOM 0 HD21 LEU B 65 33.709 17.314 -1.669 1.00 0.00 H new ATOM 0 HD22 LEU B 65 34.510 18.826 -1.178 1.00 0.00 H new ATOM 0 HD23 LEU B 65 32.858 18.472 -0.619 1.00 0.00 H new