USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 717 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 62 ASN : amide:sc= 0.663 K(o=0.27,f=-5.7!) USER MOD Set 1.2: B 64 GLN : amide:sc= -0.39 K(o=0.27,f=-10!) USER MOD Set 2.1: B 25 TYR OH : rot -120:sc= 0.857 USER MOD Set 2.2: B 47 ASN :FLIP amide:sc= 0.761 F(o=-0.26,f=1.6) USER MOD Set 3.1: B 21 GLN : amide:sc= -0.212 X(o=0.73,f=0.26) USER MOD Set 3.2: B 35 TYR OH : rot -98:sc= 0.944 USER MOD Set 4.1: A 21 GLN : amide:sc= -0.178 K(o=-0.18,f=-2) USER MOD Set 4.2: A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -64:sc= 1.2 USER MOD Single : A 47 ASN : amide:sc= -0.767 X(o=-0.77,f=-0.84) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0.971 K(o=0.97,f=-1.4) USER MOD Single : A 61 LYS NZ :NH3+ 160:sc= 1.2 (180deg=0.2) USER MOD Single : A 62 ASN : amide:sc= -0.32! X(o=-0.32!,f=-0.31) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD Single : B 51 TYR OH : rot 180:sc= 0 USER MOD Single : B 55 GLN : amide:sc= -0.746 K(o=-0.75,f=-5.6!) USER MOD Single : B 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 297 N ASP A 19 27.023 5.468 4.050 1.00 0.00 N ATOM 298 CA ASP A 19 26.720 6.508 3.076 1.00 0.00 C ATOM 299 C ASP A 19 26.809 5.951 1.664 1.00 0.00 C ATOM 300 O ASP A 19 26.734 6.690 0.682 1.00 0.00 O ATOM 301 CB ASP A 19 27.697 7.677 3.240 1.00 0.00 C ATOM 302 CG ASP A 19 29.146 7.249 3.089 1.00 0.00 C ATOM 303 OD1 ASP A 19 29.691 6.636 4.035 1.00 0.00 O ATOM 304 OD2 ASP A 19 29.749 7.522 2.035 1.00 0.00 O ATOM 0 HA ASP A 19 25.704 6.864 3.248 1.00 0.00 H new ATOM 0 HB2 ASP A 19 27.469 8.444 2.500 1.00 0.00 H new ATOM 0 HB3 ASP A 19 27.556 8.130 4.221 1.00 0.00 H new ATOM 309 N VAL A 20 26.950 4.639 1.570 1.00 0.00 N ATOM 310 CA VAL A 20 27.088 3.978 0.286 1.00 0.00 C ATOM 311 C VAL A 20 25.717 3.761 -0.344 1.00 0.00 C ATOM 312 O VAL A 20 25.095 2.708 -0.182 1.00 0.00 O ATOM 313 CB VAL A 20 27.820 2.626 0.412 1.00 0.00 C ATOM 314 CG1 VAL A 20 28.243 2.118 -0.958 1.00 0.00 C ATOM 315 CG2 VAL A 20 29.017 2.753 1.345 1.00 0.00 C ATOM 0 H VAL A 20 26.972 4.010 2.372 1.00 0.00 H new ATOM 0 HA VAL A 20 27.688 4.627 -0.352 1.00 0.00 H new ATOM 0 HB VAL A 20 27.133 1.897 0.843 1.00 0.00 H new ATOM 0 HG11 VAL A 20 28.758 1.163 -0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 20 27.361 1.985 -1.585 1.00 0.00 H new ATOM 0 HG13 VAL A 20 28.913 2.841 -1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 20 29.522 1.790 1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 20 29.710 3.495 0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 20 28.677 3.065 2.333 1.00 0.00 H new ATOM 325 N GLN A 21 25.238 4.788 -1.020 1.00 0.00 N ATOM 326 CA GLN A 21 23.945 4.751 -1.681 1.00 0.00 C ATOM 327 C GLN A 21 24.144 4.616 -3.186 1.00 0.00 C ATOM 328 O GLN A 21 25.224 4.903 -3.693 1.00 0.00 O ATOM 329 CB GLN A 21 23.167 6.031 -1.349 1.00 0.00 C ATOM 330 CG GLN A 21 23.902 7.301 -1.749 1.00 0.00 C ATOM 331 CD GLN A 21 23.322 8.556 -1.128 1.00 0.00 C ATOM 332 OE1 GLN A 21 22.129 8.637 -0.844 1.00 0.00 O ATOM 333 NE2 GLN A 21 24.171 9.548 -0.914 1.00 0.00 N ATOM 0 H GLN A 21 25.734 5.673 -1.127 1.00 0.00 H new ATOM 0 HA GLN A 21 23.373 3.892 -1.329 1.00 0.00 H new ATOM 0 HB2 GLN A 21 22.202 6.003 -1.855 1.00 0.00 H new ATOM 0 HB3 GLN A 21 22.965 6.058 -0.278 1.00 0.00 H new ATOM 0 HG2 GLN A 21 24.949 7.212 -1.459 1.00 0.00 H new ATOM 0 HG3 GLN A 21 23.879 7.398 -2.834 1.00 0.00 H new ATOM 0 HE21 GLN A 21 25.154 9.441 -1.164 1.00 0.00 H new ATOM 0 HE22 GLN A 21 23.842 10.420 -0.499 1.00 0.00 H new ATOM 342 N ILE A 22 23.125 4.157 -3.893 1.00 0.00 N ATOM 343 CA ILE A 22 23.198 4.051 -5.346 1.00 0.00 C ATOM 344 C ILE A 22 22.042 4.808 -5.986 1.00 0.00 C ATOM 345 O ILE A 22 20.939 4.849 -5.437 1.00 0.00 O ATOM 346 CB ILE A 22 23.191 2.580 -5.827 1.00 0.00 C ATOM 347 CG1 ILE A 22 24.454 1.855 -5.361 1.00 0.00 C ATOM 348 CG2 ILE A 22 23.083 2.506 -7.343 1.00 0.00 C ATOM 349 CD1 ILE A 22 24.638 0.506 -6.018 1.00 0.00 C ATOM 0 H ILE A 22 22.239 3.852 -3.489 1.00 0.00 H new ATOM 0 HA ILE A 22 24.145 4.494 -5.654 1.00 0.00 H new ATOM 0 HB ILE A 22 22.321 2.090 -5.391 1.00 0.00 H new ATOM 0 HG12 ILE A 22 25.323 2.478 -5.573 1.00 0.00 H new ATOM 0 HG13 ILE A 22 24.413 1.724 -4.280 1.00 0.00 H new ATOM 0 HG21 ILE A 22 23.080 1.462 -7.657 1.00 0.00 H new ATOM 0 HG22 ILE A 22 22.158 2.985 -7.666 1.00 0.00 H new ATOM 0 HG23 ILE A 22 23.933 3.018 -7.794 1.00 0.00 H new ATOM 0 HD11 ILE A 22 25.551 0.042 -5.646 1.00 0.00 H new ATOM 0 HD12 ILE A 22 23.786 -0.132 -5.784 1.00 0.00 H new ATOM 0 HD13 ILE A 22 24.710 0.634 -7.098 1.00 0.00 H new ATOM 361 N ASP A 23 22.300 5.419 -7.135 1.00 0.00 N ATOM 362 CA ASP A 23 21.295 6.204 -7.818 1.00 0.00 C ATOM 363 C ASP A 23 20.457 5.332 -8.756 1.00 0.00 C ATOM 364 O ASP A 23 20.627 4.112 -8.812 1.00 0.00 O ATOM 365 CB ASP A 23 21.978 7.326 -8.601 1.00 0.00 C ATOM 366 CG ASP A 23 22.449 6.887 -9.972 1.00 0.00 C ATOM 367 OD1 ASP A 23 23.179 5.873 -10.069 1.00 0.00 O ATOM 368 OD2 ASP A 23 22.074 7.556 -10.956 1.00 0.00 O ATOM 0 H ASP A 23 23.202 5.382 -7.610 1.00 0.00 H new ATOM 0 HA ASP A 23 20.621 6.634 -7.077 1.00 0.00 H new ATOM 0 HB2 ASP A 23 21.285 8.160 -8.711 1.00 0.00 H new ATOM 0 HB3 ASP A 23 22.831 7.694 -8.030 1.00 0.00 H new ATOM 373 N PHE A 24 19.549 5.979 -9.474 1.00 0.00 N ATOM 374 CA PHE A 24 18.676 5.328 -10.442 1.00 0.00 C ATOM 375 C PHE A 24 19.486 4.584 -11.503 1.00 0.00 C ATOM 376 O PHE A 24 19.099 3.498 -11.944 1.00 0.00 O ATOM 377 CB PHE A 24 17.788 6.392 -11.102 1.00 0.00 C ATOM 378 CG PHE A 24 16.766 5.858 -12.069 1.00 0.00 C ATOM 379 CD1 PHE A 24 17.068 5.719 -13.415 1.00 0.00 C ATOM 380 CD2 PHE A 24 15.498 5.513 -11.631 1.00 0.00 C ATOM 381 CE1 PHE A 24 16.127 5.241 -14.304 1.00 0.00 C ATOM 382 CE2 PHE A 24 14.551 5.038 -12.518 1.00 0.00 C ATOM 383 CZ PHE A 24 14.865 4.900 -13.856 1.00 0.00 C ATOM 0 H PHE A 24 19.396 6.985 -9.400 1.00 0.00 H new ATOM 0 HA PHE A 24 18.057 4.594 -9.925 1.00 0.00 H new ATOM 0 HB2 PHE A 24 17.270 6.947 -10.320 1.00 0.00 H new ATOM 0 HB3 PHE A 24 18.427 7.102 -11.627 1.00 0.00 H new ATOM 0 HD1 PHE A 24 18.051 5.988 -13.772 1.00 0.00 H new ATOM 0 HD2 PHE A 24 15.247 5.616 -10.586 1.00 0.00 H new ATOM 0 HE1 PHE A 24 16.377 5.133 -15.349 1.00 0.00 H new ATOM 0 HE2 PHE A 24 13.565 4.775 -12.165 1.00 0.00 H new ATOM 0 HZ PHE A 24 14.126 4.527 -14.550 1.00 0.00 H new ATOM 393 N TYR A 25 20.612 5.168 -11.897 1.00 0.00 N ATOM 394 CA TYR A 25 21.441 4.608 -12.954 1.00 0.00 C ATOM 395 C TYR A 25 22.037 3.266 -12.531 1.00 0.00 C ATOM 396 O TYR A 25 22.048 2.311 -13.310 1.00 0.00 O ATOM 397 CB TYR A 25 22.553 5.594 -13.323 1.00 0.00 C ATOM 398 CG TYR A 25 23.308 5.232 -14.581 1.00 0.00 C ATOM 399 CD1 TYR A 25 22.861 5.661 -15.822 1.00 0.00 C ATOM 400 CD2 TYR A 25 24.465 4.465 -14.528 1.00 0.00 C ATOM 401 CE1 TYR A 25 23.546 5.335 -16.977 1.00 0.00 C ATOM 402 CE2 TYR A 25 25.154 4.136 -15.676 1.00 0.00 C ATOM 403 CZ TYR A 25 24.691 4.572 -16.898 1.00 0.00 C ATOM 404 OH TYR A 25 25.376 4.241 -18.047 1.00 0.00 O ATOM 0 H TYR A 25 20.972 6.034 -11.497 1.00 0.00 H new ATOM 0 HA TYR A 25 20.814 4.435 -13.829 1.00 0.00 H new ATOM 0 HB2 TYR A 25 22.118 6.586 -13.446 1.00 0.00 H new ATOM 0 HB3 TYR A 25 23.258 5.656 -12.494 1.00 0.00 H new ATOM 0 HD1 TYR A 25 21.964 6.259 -15.887 1.00 0.00 H new ATOM 0 HD2 TYR A 25 24.831 4.121 -13.572 1.00 0.00 H new ATOM 0 HE1 TYR A 25 23.186 5.676 -17.936 1.00 0.00 H new ATOM 0 HE2 TYR A 25 26.052 3.539 -15.618 1.00 0.00 H new ATOM 0 HH TYR A 25 26.161 3.701 -17.816 1.00 0.00 H new ATOM 414 N GLY A 26 22.517 3.187 -11.296 1.00 0.00 N ATOM 415 CA GLY A 26 23.122 1.963 -10.822 1.00 0.00 C ATOM 416 C GLY A 26 24.579 2.157 -10.478 1.00 0.00 C ATOM 417 O GLY A 26 25.334 1.193 -10.355 1.00 0.00 O ATOM 0 H GLY A 26 22.497 3.948 -10.618 1.00 0.00 H new ATOM 0 HA2 GLY A 26 22.585 1.608 -9.943 1.00 0.00 H new ATOM 0 HA3 GLY A 26 23.028 1.191 -11.586 1.00 0.00 H new ATOM 421 N ASP A 27 24.976 3.411 -10.319 1.00 0.00 N ATOM 422 CA ASP A 27 26.347 3.736 -9.965 1.00 0.00 C ATOM 423 C ASP A 27 26.392 4.179 -8.508 1.00 0.00 C ATOM 424 O ASP A 27 25.372 4.590 -7.948 1.00 0.00 O ATOM 425 CB ASP A 27 26.883 4.844 -10.875 1.00 0.00 C ATOM 426 CG ASP A 27 28.390 4.799 -11.046 1.00 0.00 C ATOM 427 OD1 ASP A 27 29.095 4.317 -10.137 1.00 0.00 O ATOM 428 OD2 ASP A 27 28.881 5.241 -12.105 1.00 0.00 O ATOM 0 H ASP A 27 24.366 4.221 -10.430 1.00 0.00 H new ATOM 0 HA ASP A 27 26.975 2.855 -10.097 1.00 0.00 H new ATOM 0 HB2 ASP A 27 26.410 4.762 -11.854 1.00 0.00 H new ATOM 0 HB3 ASP A 27 26.599 5.813 -10.464 1.00 0.00 H new ATOM 433 N GLU A 28 27.560 4.096 -7.891 1.00 0.00 N ATOM 434 CA GLU A 28 27.688 4.445 -6.487 1.00 0.00 C ATOM 435 C GLU A 28 27.639 5.951 -6.307 1.00 0.00 C ATOM 436 O GLU A 28 28.311 6.701 -7.016 1.00 0.00 O ATOM 437 CB GLU A 28 28.981 3.902 -5.886 1.00 0.00 C ATOM 438 CG GLU A 28 29.120 2.398 -5.980 1.00 0.00 C ATOM 439 CD GLU A 28 30.323 1.878 -5.223 1.00 0.00 C ATOM 440 OE1 GLU A 28 31.461 2.121 -5.675 1.00 0.00 O ATOM 441 OE2 GLU A 28 30.139 1.209 -4.181 1.00 0.00 O ATOM 0 H GLU A 28 28.426 3.793 -8.337 1.00 0.00 H new ATOM 0 HA GLU A 28 26.849 3.988 -5.963 1.00 0.00 H new ATOM 0 HB2 GLU A 28 29.828 4.367 -6.391 1.00 0.00 H new ATOM 0 HB3 GLU A 28 29.034 4.197 -4.838 1.00 0.00 H new ATOM 0 HG2 GLU A 28 28.218 1.928 -5.589 1.00 0.00 H new ATOM 0 HG3 GLU A 28 29.201 2.109 -7.028 1.00 0.00 H new ATOM 448 N VAL A 29 26.830 6.376 -5.362 1.00 0.00 N ATOM 449 CA VAL A 29 26.715 7.774 -5.022 1.00 0.00 C ATOM 450 C VAL A 29 27.385 8.029 -3.684 1.00 0.00 C ATOM 451 O VAL A 29 26.801 7.798 -2.626 1.00 0.00 O ATOM 452 CB VAL A 29 25.244 8.217 -4.953 1.00 0.00 C ATOM 453 CG1 VAL A 29 25.151 9.696 -4.643 1.00 0.00 C ATOM 454 CG2 VAL A 29 24.525 7.894 -6.252 1.00 0.00 C ATOM 0 H VAL A 29 26.234 5.761 -4.808 1.00 0.00 H new ATOM 0 HA VAL A 29 27.207 8.353 -5.803 1.00 0.00 H new ATOM 0 HB VAL A 29 24.756 7.666 -4.149 1.00 0.00 H new ATOM 0 HG11 VAL A 29 24.103 9.993 -4.598 1.00 0.00 H new ATOM 0 HG12 VAL A 29 25.627 9.897 -3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 29 25.656 10.264 -5.424 1.00 0.00 H new ATOM 0 HG21 VAL A 29 23.486 8.215 -6.182 1.00 0.00 H new ATOM 0 HG22 VAL A 29 25.012 8.415 -7.076 1.00 0.00 H new ATOM 0 HG23 VAL A 29 24.561 6.819 -6.430 1.00 0.00 H new ATOM 464 N THR A 30 28.624 8.467 -3.736 1.00 0.00 N ATOM 465 CA THR A 30 29.375 8.753 -2.533 1.00 0.00 C ATOM 466 C THR A 30 29.303 10.253 -2.238 1.00 0.00 C ATOM 467 O THR A 30 28.777 11.011 -3.052 1.00 0.00 O ATOM 468 CB THR A 30 30.845 8.302 -2.693 1.00 0.00 C ATOM 469 OG1 THR A 30 31.497 9.093 -3.696 1.00 0.00 O ATOM 470 CG2 THR A 30 30.921 6.825 -3.079 1.00 0.00 C ATOM 0 H THR A 30 29.135 8.634 -4.603 1.00 0.00 H new ATOM 0 HA THR A 30 28.942 8.201 -1.698 1.00 0.00 H new ATOM 0 HB THR A 30 31.349 8.441 -1.736 1.00 0.00 H new ATOM 0 HG1 THR A 30 31.072 8.935 -4.565 1.00 0.00 H new ATOM 0 HG21 THR A 30 31.965 6.530 -3.186 1.00 0.00 H new ATOM 0 HG22 THR A 30 30.451 6.221 -2.302 1.00 0.00 H new ATOM 0 HG23 THR A 30 30.401 6.669 -4.024 1.00 0.00 H new ATOM 478 N PRO A 31 29.813 10.715 -1.081 1.00 0.00 N ATOM 479 CA PRO A 31 29.855 12.150 -0.758 1.00 0.00 C ATOM 480 C PRO A 31 30.717 12.947 -1.740 1.00 0.00 C ATOM 481 O PRO A 31 30.754 14.174 -1.697 1.00 0.00 O ATOM 482 CB PRO A 31 30.463 12.193 0.650 1.00 0.00 C ATOM 483 CG PRO A 31 31.141 10.878 0.824 1.00 0.00 C ATOM 484 CD PRO A 31 30.348 9.892 0.015 1.00 0.00 C ATOM 0 HA PRO A 31 28.866 12.603 -0.818 1.00 0.00 H new ATOM 0 HB2 PRO A 31 31.170 13.017 0.748 1.00 0.00 H new ATOM 0 HB3 PRO A 31 29.693 12.342 1.407 1.00 0.00 H new ATOM 0 HG2 PRO A 31 32.174 10.923 0.480 1.00 0.00 H new ATOM 0 HG3 PRO A 31 31.167 10.589 1.875 1.00 0.00 H new ATOM 0 HD2 PRO A 31 30.973 9.081 -0.358 1.00 0.00 H new ATOM 0 HD3 PRO A 31 29.551 9.436 0.603 1.00 0.00 H new ATOM 492 N VAL A 32 31.410 12.239 -2.625 1.00 0.00 N ATOM 493 CA VAL A 32 32.244 12.874 -3.636 1.00 0.00 C ATOM 494 C VAL A 32 31.477 12.974 -4.961 1.00 0.00 C ATOM 495 O VAL A 32 31.980 13.494 -5.960 1.00 0.00 O ATOM 496 CB VAL A 32 33.560 12.086 -3.846 1.00 0.00 C ATOM 497 CG1 VAL A 32 34.562 12.887 -4.667 1.00 0.00 C ATOM 498 CG2 VAL A 32 34.166 11.692 -2.508 1.00 0.00 C ATOM 0 H VAL A 32 31.410 11.220 -2.662 1.00 0.00 H new ATOM 0 HA VAL A 32 32.497 13.876 -3.289 1.00 0.00 H new ATOM 0 HB VAL A 32 33.319 11.180 -4.402 1.00 0.00 H new ATOM 0 HG11 VAL A 32 35.475 12.305 -4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 32 34.134 13.112 -5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 32 34.795 13.818 -4.150 1.00 0.00 H new ATOM 0 HG21 VAL A 32 35.090 11.139 -2.676 1.00 0.00 H new ATOM 0 HG22 VAL A 32 34.380 12.589 -1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 32 33.462 11.065 -1.960 1.00 0.00 H new ATOM 508 N ASP A 33 30.244 12.485 -4.955 1.00 0.00 N ATOM 509 CA ASP A 33 29.414 12.490 -6.153 1.00 0.00 C ATOM 510 C ASP A 33 28.323 13.542 -6.056 1.00 0.00 C ATOM 511 O ASP A 33 27.622 13.639 -5.050 1.00 0.00 O ATOM 512 CB ASP A 33 28.785 11.114 -6.389 1.00 0.00 C ATOM 513 CG ASP A 33 29.804 10.075 -6.803 1.00 0.00 C ATOM 514 OD1 ASP A 33 30.251 10.109 -7.971 1.00 0.00 O ATOM 515 OD2 ASP A 33 30.176 9.226 -5.962 1.00 0.00 O ATOM 0 H ASP A 33 29.796 12.079 -4.133 1.00 0.00 H new ATOM 0 HA ASP A 33 30.060 12.732 -6.997 1.00 0.00 H new ATOM 0 HB2 ASP A 33 28.285 10.785 -5.478 1.00 0.00 H new ATOM 0 HB3 ASP A 33 28.020 11.195 -7.161 1.00 0.00 H new ATOM 520 N ASP A 34 28.193 14.335 -7.108 1.00 0.00 N ATOM 521 CA ASP A 34 27.148 15.347 -7.183 1.00 0.00 C ATOM 522 C ASP A 34 25.842 14.703 -7.627 1.00 0.00 C ATOM 523 O ASP A 34 25.698 14.291 -8.783 1.00 0.00 O ATOM 524 CB ASP A 34 27.542 16.470 -8.150 1.00 0.00 C ATOM 525 CG ASP A 34 28.774 17.233 -7.695 1.00 0.00 C ATOM 526 OD1 ASP A 34 28.637 18.143 -6.850 1.00 0.00 O ATOM 527 OD2 ASP A 34 29.887 16.925 -8.180 1.00 0.00 O ATOM 0 H ASP A 34 28.801 14.298 -7.926 1.00 0.00 H new ATOM 0 HA ASP A 34 27.016 15.785 -6.194 1.00 0.00 H new ATOM 0 HB2 ASP A 34 27.727 16.045 -9.137 1.00 0.00 H new ATOM 0 HB3 ASP A 34 26.708 17.164 -8.253 1.00 0.00 H new ATOM 532 N TYR A 35 24.900 14.599 -6.705 1.00 0.00 N ATOM 533 CA TYR A 35 23.648 13.909 -6.973 1.00 0.00 C ATOM 534 C TYR A 35 22.463 14.725 -6.489 1.00 0.00 C ATOM 535 O TYR A 35 22.616 15.651 -5.698 1.00 0.00 O ATOM 536 CB TYR A 35 23.638 12.544 -6.282 1.00 0.00 C ATOM 537 CG TYR A 35 23.536 12.622 -4.772 1.00 0.00 C ATOM 538 CD1 TYR A 35 24.643 12.939 -3.991 1.00 0.00 C ATOM 539 CD2 TYR A 35 22.331 12.378 -4.130 1.00 0.00 C ATOM 540 CE1 TYR A 35 24.548 13.007 -2.615 1.00 0.00 C ATOM 541 CE2 TYR A 35 22.227 12.445 -2.755 1.00 0.00 C ATOM 542 CZ TYR A 35 23.337 12.760 -2.002 1.00 0.00 C ATOM 543 OH TYR A 35 23.240 12.823 -0.631 1.00 0.00 O ATOM 0 H TYR A 35 24.978 14.984 -5.763 1.00 0.00 H new ATOM 0 HA TYR A 35 23.565 13.774 -8.051 1.00 0.00 H new ATOM 0 HB2 TYR A 35 22.800 11.961 -6.663 1.00 0.00 H new ATOM 0 HB3 TYR A 35 24.548 12.006 -6.548 1.00 0.00 H new ATOM 0 HD1 TYR A 35 25.592 13.135 -4.469 1.00 0.00 H new ATOM 0 HD2 TYR A 35 21.458 12.131 -4.716 1.00 0.00 H new ATOM 0 HE1 TYR A 35 25.417 13.252 -2.022 1.00 0.00 H new ATOM 0 HE2 TYR A 35 21.281 12.252 -2.272 1.00 0.00 H new ATOM 0 HH TYR A 35 22.320 12.624 -0.359 1.00 0.00 H new ATOM 553 N VAL A 36 21.285 14.363 -6.959 1.00 0.00 N ATOM 554 CA VAL A 36 20.051 14.997 -6.532 1.00 0.00 C ATOM 555 C VAL A 36 19.002 13.923 -6.275 1.00 0.00 C ATOM 556 O VAL A 36 18.991 12.895 -6.953 1.00 0.00 O ATOM 557 CB VAL A 36 19.551 16.011 -7.592 1.00 0.00 C ATOM 558 CG1 VAL A 36 18.152 16.515 -7.281 1.00 0.00 C ATOM 559 CG2 VAL A 36 20.510 17.185 -7.689 1.00 0.00 C ATOM 0 H VAL A 36 21.156 13.622 -7.647 1.00 0.00 H new ATOM 0 HA VAL A 36 20.234 15.551 -5.612 1.00 0.00 H new ATOM 0 HB VAL A 36 19.513 15.489 -8.548 1.00 0.00 H new ATOM 0 HG11 VAL A 36 17.841 17.223 -8.049 1.00 0.00 H new ATOM 0 HG12 VAL A 36 17.459 15.674 -7.261 1.00 0.00 H new ATOM 0 HG13 VAL A 36 18.151 17.010 -6.310 1.00 0.00 H new ATOM 0 HG21 VAL A 36 20.147 17.890 -8.437 1.00 0.00 H new ATOM 0 HG22 VAL A 36 20.574 17.683 -6.722 1.00 0.00 H new ATOM 0 HG23 VAL A 36 21.497 16.825 -7.978 1.00 0.00 H new ATOM 569 N ILE A 37 18.157 14.134 -5.275 1.00 0.00 N ATOM 570 CA ILE A 37 17.151 13.151 -4.920 1.00 0.00 C ATOM 571 C ILE A 37 15.764 13.612 -5.359 1.00 0.00 C ATOM 572 O ILE A 37 15.227 14.642 -4.896 1.00 0.00 O ATOM 573 CB ILE A 37 17.190 12.803 -3.412 1.00 0.00 C ATOM 574 CG1 ILE A 37 18.578 12.263 -3.043 1.00 0.00 C ATOM 575 CG2 ILE A 37 16.119 11.780 -3.068 1.00 0.00 C ATOM 576 CD1 ILE A 37 18.719 11.852 -1.591 1.00 0.00 C ATOM 0 H ILE A 37 18.150 14.976 -4.699 1.00 0.00 H new ATOM 0 HA ILE A 37 17.383 12.232 -5.458 1.00 0.00 H new ATOM 0 HB ILE A 37 16.992 13.708 -2.838 1.00 0.00 H new ATOM 0 HG12 ILE A 37 18.801 11.404 -3.675 1.00 0.00 H new ATOM 0 HG13 ILE A 37 19.324 13.026 -3.267 1.00 0.00 H new ATOM 0 HG21 ILE A 37 16.164 11.550 -2.004 1.00 0.00 H new ATOM 0 HG22 ILE A 37 15.137 12.186 -3.310 1.00 0.00 H new ATOM 0 HG23 ILE A 37 16.287 10.870 -3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 37 19.729 11.482 -1.414 1.00 0.00 H new ATOM 0 HD12 ILE A 37 18.530 12.713 -0.949 1.00 0.00 H new ATOM 0 HD13 ILE A 37 18.000 11.065 -1.364 1.00 0.00 H new ATOM 588 N ASP A 38 15.220 12.828 -6.285 1.00 0.00 N ATOM 589 CA ASP A 38 13.943 13.092 -6.929 1.00 0.00 C ATOM 590 C ASP A 38 12.918 12.070 -6.450 1.00 0.00 C ATOM 591 O ASP A 38 12.798 10.976 -7.003 1.00 0.00 O ATOM 592 CB ASP A 38 14.114 13.015 -8.457 1.00 0.00 C ATOM 593 CG ASP A 38 12.877 13.396 -9.256 1.00 0.00 C ATOM 594 OD1 ASP A 38 11.750 13.203 -8.764 1.00 0.00 O ATOM 595 OD2 ASP A 38 13.033 13.880 -10.399 1.00 0.00 O ATOM 0 H ASP A 38 15.667 11.972 -6.614 1.00 0.00 H new ATOM 0 HA ASP A 38 13.592 14.091 -6.668 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.935 13.669 -8.750 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.404 11.999 -8.726 1.00 0.00 H new ATOM 600 N GLY A 39 12.244 12.409 -5.365 1.00 0.00 N ATOM 601 CA GLY A 39 11.168 11.575 -4.857 1.00 0.00 C ATOM 602 C GLY A 39 11.676 10.376 -4.085 1.00 0.00 C ATOM 603 O GLY A 39 11.160 9.273 -4.227 1.00 0.00 O ATOM 0 H GLY A 39 12.421 13.253 -4.820 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.524 12.172 -4.211 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.554 11.233 -5.690 1.00 0.00 H new ATOM 607 N GLY A 40 12.700 10.582 -3.270 1.00 0.00 N ATOM 608 CA GLY A 40 13.270 9.483 -2.511 1.00 0.00 C ATOM 609 C GLY A 40 14.239 8.664 -3.340 1.00 0.00 C ATOM 610 O GLY A 40 15.047 7.904 -2.806 1.00 0.00 O ATOM 0 H GLY A 40 13.147 11.487 -3.119 1.00 0.00 H new ATOM 0 HA2 GLY A 40 13.785 9.876 -1.634 1.00 0.00 H new ATOM 0 HA3 GLY A 40 12.469 8.839 -2.148 1.00 0.00 H new ATOM 614 N GLU A 41 14.153 8.824 -4.652 1.00 0.00 N ATOM 615 CA GLU A 41 15.050 8.147 -5.563 1.00 0.00 C ATOM 616 C GLU A 41 16.277 9.015 -5.806 1.00 0.00 C ATOM 617 O GLU A 41 16.171 10.229 -5.964 1.00 0.00 O ATOM 618 CB GLU A 41 14.336 7.839 -6.883 1.00 0.00 C ATOM 619 CG GLU A 41 15.164 7.004 -7.847 1.00 0.00 C ATOM 620 CD GLU A 41 15.638 5.705 -7.230 1.00 0.00 C ATOM 621 OE1 GLU A 41 14.823 4.767 -7.104 1.00 0.00 O ATOM 622 OE2 GLU A 41 16.826 5.617 -6.857 1.00 0.00 O ATOM 0 H GLU A 41 13.464 9.422 -5.108 1.00 0.00 H new ATOM 0 HA GLU A 41 15.366 7.202 -5.121 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.406 7.313 -6.668 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.067 8.778 -7.368 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.571 6.785 -8.735 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.027 7.583 -8.175 1.00 0.00 H new ATOM 629 N ILE A 42 17.433 8.389 -5.819 1.00 0.00 N ATOM 630 CA ILE A 42 18.686 9.096 -5.998 1.00 0.00 C ATOM 631 C ILE A 42 19.067 9.081 -7.469 1.00 0.00 C ATOM 632 O ILE A 42 18.855 8.085 -8.144 1.00 0.00 O ATOM 633 CB ILE A 42 19.802 8.430 -5.170 1.00 0.00 C ATOM 634 CG1 ILE A 42 19.337 8.241 -3.724 1.00 0.00 C ATOM 635 CG2 ILE A 42 21.075 9.262 -5.216 1.00 0.00 C ATOM 636 CD1 ILE A 42 20.208 7.301 -2.924 1.00 0.00 C ATOM 0 H ILE A 42 17.533 7.380 -5.707 1.00 0.00 H new ATOM 0 HA ILE A 42 18.564 10.124 -5.658 1.00 0.00 H new ATOM 0 HB ILE A 42 20.021 7.453 -5.601 1.00 0.00 H new ATOM 0 HG12 ILE A 42 19.315 9.212 -3.229 1.00 0.00 H new ATOM 0 HG13 ILE A 42 18.315 7.862 -3.727 1.00 0.00 H new ATOM 0 HG21 ILE A 42 21.850 8.774 -4.625 1.00 0.00 H new ATOM 0 HG22 ILE A 42 21.411 9.356 -6.249 1.00 0.00 H new ATOM 0 HG23 ILE A 42 20.877 10.253 -4.807 1.00 0.00 H new ATOM 0 HD11 ILE A 42 19.817 7.217 -1.910 1.00 0.00 H new ATOM 0 HD12 ILE A 42 20.211 6.318 -3.395 1.00 0.00 H new ATOM 0 HD13 ILE A 42 21.226 7.689 -2.889 1.00 0.00 H new ATOM 648 N ILE A 43 19.578 10.187 -7.983 1.00 0.00 N ATOM 649 CA ILE A 43 20.034 10.227 -9.367 1.00 0.00 C ATOM 650 C ILE A 43 21.334 11.007 -9.458 1.00 0.00 C ATOM 651 O ILE A 43 21.425 12.125 -8.939 1.00 0.00 O ATOM 652 CB ILE A 43 19.003 10.882 -10.331 1.00 0.00 C ATOM 653 CG1 ILE A 43 17.575 10.426 -10.036 1.00 0.00 C ATOM 654 CG2 ILE A 43 19.346 10.563 -11.783 1.00 0.00 C ATOM 655 CD1 ILE A 43 16.880 11.249 -8.977 1.00 0.00 C ATOM 0 H ILE A 43 19.688 11.062 -7.471 1.00 0.00 H new ATOM 0 HA ILE A 43 20.170 9.191 -9.676 1.00 0.00 H new ATOM 0 HB ILE A 43 19.058 11.959 -10.170 1.00 0.00 H new ATOM 0 HG12 ILE A 43 16.992 10.468 -10.956 1.00 0.00 H new ATOM 0 HG13 ILE A 43 17.594 9.383 -9.718 1.00 0.00 H new ATOM 0 HG21 ILE A 43 18.613 11.030 -12.441 1.00 0.00 H new ATOM 0 HG22 ILE A 43 20.339 10.947 -12.015 1.00 0.00 H new ATOM 0 HG23 ILE A 43 19.331 9.483 -11.932 1.00 0.00 H new ATOM 0 HD11 ILE A 43 15.871 10.866 -8.822 1.00 0.00 H new ATOM 0 HD12 ILE A 43 17.439 11.187 -8.043 1.00 0.00 H new ATOM 0 HD13 ILE A 43 16.828 12.289 -9.300 1.00 0.00 H new ATOM 667 N LEU A 44 22.352 10.412 -10.074 1.00 0.00 N ATOM 668 CA LEU A 44 23.555 11.163 -10.410 1.00 0.00 C ATOM 669 C LEU A 44 23.185 12.349 -11.276 1.00 0.00 C ATOM 670 O LEU A 44 22.274 12.261 -12.101 1.00 0.00 O ATOM 671 CB LEU A 44 24.567 10.303 -11.170 1.00 0.00 C ATOM 672 CG LEU A 44 25.176 9.161 -10.376 1.00 0.00 C ATOM 673 CD1 LEU A 44 26.114 8.345 -11.250 1.00 0.00 C ATOM 674 CD2 LEU A 44 25.907 9.688 -9.149 1.00 0.00 C ATOM 0 H LEU A 44 22.368 9.429 -10.346 1.00 0.00 H new ATOM 0 HA LEU A 44 24.010 11.491 -9.476 1.00 0.00 H new ATOM 0 HB2 LEU A 44 24.078 9.890 -12.052 1.00 0.00 H new ATOM 0 HB3 LEU A 44 25.372 10.947 -11.524 1.00 0.00 H new ATOM 0 HG LEU A 44 24.369 8.511 -10.038 1.00 0.00 H new ATOM 0 HD11 LEU A 44 26.541 7.531 -10.664 1.00 0.00 H new ATOM 0 HD12 LEU A 44 25.560 7.933 -12.093 1.00 0.00 H new ATOM 0 HD13 LEU A 44 26.915 8.985 -11.620 1.00 0.00 H new ATOM 0 HD21 LEU A 44 26.336 8.853 -8.594 1.00 0.00 H new ATOM 0 HD22 LEU A 44 26.704 10.363 -9.462 1.00 0.00 H new ATOM 0 HD23 LEU A 44 25.206 10.226 -8.511 1.00 0.00 H new ATOM 686 N ARG A 45 23.898 13.454 -11.107 1.00 0.00 N ATOM 687 CA ARG A 45 23.674 14.633 -11.929 1.00 0.00 C ATOM 688 C ARG A 45 23.866 14.298 -13.407 1.00 0.00 C ATOM 689 O ARG A 45 23.350 14.997 -14.276 1.00 0.00 O ATOM 690 CB ARG A 45 24.626 15.761 -11.522 1.00 0.00 C ATOM 691 CG ARG A 45 23.926 17.024 -11.035 1.00 0.00 C ATOM 692 CD ARG A 45 23.053 17.650 -12.115 1.00 0.00 C ATOM 693 NE ARG A 45 23.784 17.880 -13.364 1.00 0.00 N ATOM 694 CZ ARG A 45 23.551 18.896 -14.198 1.00 0.00 C ATOM 695 NH1 ARG A 45 22.674 19.842 -13.883 1.00 0.00 N ATOM 696 NH2 ARG A 45 24.213 18.972 -15.346 1.00 0.00 N ATOM 0 H ARG A 45 24.635 13.558 -10.409 1.00 0.00 H new ATOM 0 HA ARG A 45 22.648 14.967 -11.774 1.00 0.00 H new ATOM 0 HB2 ARG A 45 25.286 15.398 -10.734 1.00 0.00 H new ATOM 0 HB3 ARG A 45 25.257 16.014 -12.374 1.00 0.00 H new ATOM 0 HG2 ARG A 45 23.312 16.785 -10.167 1.00 0.00 H new ATOM 0 HG3 ARG A 45 24.672 17.748 -10.708 1.00 0.00 H new ATOM 0 HD2 ARG A 45 22.201 16.999 -12.311 1.00 0.00 H new ATOM 0 HD3 ARG A 45 22.654 18.597 -11.752 1.00 0.00 H new ATOM 0 HE ARG A 45 24.520 17.219 -13.613 1.00 0.00 H new ATOM 0 HH11 ARG A 45 22.171 19.797 -12.997 1.00 0.00 H new ATOM 0 HH12 ARG A 45 22.503 20.614 -14.527 1.00 0.00 H new ATOM 0 HH21 ARG A 45 24.897 18.255 -15.589 1.00 0.00 H new ATOM 0 HH22 ARG A 45 24.037 19.747 -15.986 1.00 0.00 H new ATOM 710 N GLU A 46 24.566 13.195 -13.682 1.00 0.00 N ATOM 711 CA GLU A 46 24.908 12.830 -15.053 1.00 0.00 C ATOM 712 C GLU A 46 23.652 12.524 -15.867 1.00 0.00 C ATOM 713 O GLU A 46 23.515 12.976 -17.002 1.00 0.00 O ATOM 714 CB GLU A 46 25.854 11.627 -15.070 1.00 0.00 C ATOM 715 CG GLU A 46 26.354 11.269 -16.461 1.00 0.00 C ATOM 716 CD GLU A 46 27.316 10.100 -16.459 1.00 0.00 C ATOM 717 OE1 GLU A 46 28.529 10.322 -16.259 1.00 0.00 O ATOM 718 OE2 GLU A 46 26.866 8.955 -16.670 1.00 0.00 O ATOM 0 H GLU A 46 24.905 12.543 -12.974 1.00 0.00 H new ATOM 0 HA GLU A 46 25.414 13.680 -15.510 1.00 0.00 H new ATOM 0 HB2 GLU A 46 26.709 11.838 -14.428 1.00 0.00 H new ATOM 0 HB3 GLU A 46 25.341 10.765 -14.644 1.00 0.00 H new ATOM 0 HG2 GLU A 46 25.502 11.031 -17.098 1.00 0.00 H new ATOM 0 HG3 GLU A 46 26.846 12.137 -16.899 1.00 0.00 H new ATOM 725 N ASN A 47 22.729 11.776 -15.278 1.00 0.00 N ATOM 726 CA ASN A 47 21.502 11.404 -15.973 1.00 0.00 C ATOM 727 C ASN A 47 20.309 12.127 -15.352 1.00 0.00 C ATOM 728 O ASN A 47 19.154 11.866 -15.691 1.00 0.00 O ATOM 729 CB ASN A 47 21.288 9.887 -15.904 1.00 0.00 C ATOM 730 CG ASN A 47 20.597 9.331 -17.140 1.00 0.00 C ATOM 731 OD1 ASN A 47 19.889 10.042 -17.853 1.00 0.00 O ATOM 732 ND2 ASN A 47 20.792 8.047 -17.395 1.00 0.00 N ATOM 0 H ASN A 47 22.804 11.416 -14.327 1.00 0.00 H new ATOM 0 HA ASN A 47 21.592 11.698 -17.019 1.00 0.00 H new ATOM 0 HB2 ASN A 47 22.252 9.394 -15.780 1.00 0.00 H new ATOM 0 HB3 ASN A 47 20.693 9.649 -15.023 1.00 0.00 H new ATOM 0 HD21 ASN A 47 20.349 7.615 -18.206 1.00 0.00 H new ATOM 0 HD22 ASN A 47 21.386 7.490 -16.781 1.00 0.00 H new ATOM 739 N LEU A 48 20.600 13.053 -14.444 1.00 0.00 N ATOM 740 CA LEU A 48 19.562 13.782 -13.723 1.00 0.00 C ATOM 741 C LEU A 48 18.754 14.667 -14.662 1.00 0.00 C ATOM 742 O LEU A 48 17.548 14.842 -14.477 1.00 0.00 O ATOM 743 CB LEU A 48 20.175 14.645 -12.624 1.00 0.00 C ATOM 744 CG LEU A 48 19.171 15.461 -11.813 1.00 0.00 C ATOM 745 CD1 LEU A 48 18.328 14.555 -10.927 1.00 0.00 C ATOM 746 CD2 LEU A 48 19.887 16.514 -10.989 1.00 0.00 C ATOM 0 H LEU A 48 21.552 13.317 -14.189 1.00 0.00 H new ATOM 0 HA LEU A 48 18.897 13.043 -13.277 1.00 0.00 H new ATOM 0 HB2 LEU A 48 20.731 14.000 -11.944 1.00 0.00 H new ATOM 0 HB3 LEU A 48 20.895 15.327 -13.077 1.00 0.00 H new ATOM 0 HG LEU A 48 18.500 15.969 -12.506 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.620 15.158 -10.359 1.00 0.00 H new ATOM 0 HD12 LEU A 48 17.783 13.844 -11.548 1.00 0.00 H new ATOM 0 HD13 LEU A 48 18.977 14.013 -10.239 1.00 0.00 H new ATOM 0 HD21 LEU A 48 19.157 17.087 -10.417 1.00 0.00 H new ATOM 0 HD22 LEU A 48 20.584 16.029 -10.306 1.00 0.00 H new ATOM 0 HD23 LEU A 48 20.435 17.184 -11.652 1.00 0.00 H new ATOM 758 N GLU A 49 19.426 15.222 -15.667 1.00 0.00 N ATOM 759 CA GLU A 49 18.776 16.095 -16.637 1.00 0.00 C ATOM 760 C GLU A 49 17.618 15.359 -17.305 1.00 0.00 C ATOM 761 O GLU A 49 16.593 15.948 -17.633 1.00 0.00 O ATOM 762 CB GLU A 49 19.786 16.562 -17.687 1.00 0.00 C ATOM 763 CG GLU A 49 19.292 17.719 -18.539 1.00 0.00 C ATOM 764 CD GLU A 49 20.232 18.045 -19.679 1.00 0.00 C ATOM 765 OE1 GLU A 49 21.285 18.672 -19.435 1.00 0.00 O ATOM 766 OE2 GLU A 49 19.919 17.676 -20.831 1.00 0.00 O ATOM 0 H GLU A 49 20.423 15.081 -15.830 1.00 0.00 H new ATOM 0 HA GLU A 49 18.384 16.971 -16.119 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.707 16.859 -17.185 1.00 0.00 H new ATOM 0 HB3 GLU A 49 20.034 15.723 -18.338 1.00 0.00 H new ATOM 0 HG2 GLU A 49 18.309 17.475 -18.942 1.00 0.00 H new ATOM 0 HG3 GLU A 49 19.169 18.601 -17.911 1.00 0.00 H new ATOM 773 N ARG A 50 17.793 14.055 -17.476 1.00 0.00 N ATOM 774 CA ARG A 50 16.763 13.194 -18.036 1.00 0.00 C ATOM 775 C ARG A 50 15.574 13.096 -17.086 1.00 0.00 C ATOM 776 O ARG A 50 14.436 13.360 -17.470 1.00 0.00 O ATOM 777 CB ARG A 50 17.346 11.800 -18.280 1.00 0.00 C ATOM 778 CG ARG A 50 16.355 10.769 -18.801 1.00 0.00 C ATOM 779 CD ARG A 50 16.107 10.919 -20.292 1.00 0.00 C ATOM 780 NE ARG A 50 15.121 11.951 -20.609 1.00 0.00 N ATOM 781 CZ ARG A 50 14.816 12.305 -21.851 1.00 0.00 C ATOM 782 NH1 ARG A 50 15.514 11.819 -22.870 1.00 0.00 N ATOM 783 NH2 ARG A 50 13.814 13.144 -22.070 1.00 0.00 N ATOM 0 H ARG A 50 18.654 13.566 -17.230 1.00 0.00 H new ATOM 0 HA ARG A 50 16.419 13.620 -18.979 1.00 0.00 H new ATOM 0 HB2 ARG A 50 18.166 11.886 -18.993 1.00 0.00 H new ATOM 0 HB3 ARG A 50 17.772 11.433 -17.346 1.00 0.00 H new ATOM 0 HG2 ARG A 50 16.733 9.767 -18.596 1.00 0.00 H new ATOM 0 HG3 ARG A 50 15.411 10.870 -18.265 1.00 0.00 H new ATOM 0 HD2 ARG A 50 17.047 11.159 -20.788 1.00 0.00 H new ATOM 0 HD3 ARG A 50 15.768 9.965 -20.696 1.00 0.00 H new ATOM 0 HE ARG A 50 14.645 12.421 -19.839 1.00 0.00 H new ATOM 0 HH11 ARG A 50 16.285 11.173 -22.698 1.00 0.00 H new ATOM 0 HH12 ARG A 50 15.280 12.091 -23.825 1.00 0.00 H new ATOM 0 HH21 ARG A 50 13.279 13.516 -21.285 1.00 0.00 H new ATOM 0 HH22 ARG A 50 13.577 13.418 -23.024 1.00 0.00 H new ATOM 797 N TYR A 51 15.850 12.734 -15.837 1.00 0.00 N ATOM 798 CA TYR A 51 14.798 12.489 -14.860 1.00 0.00 C ATOM 799 C TYR A 51 14.007 13.766 -14.579 1.00 0.00 C ATOM 800 O TYR A 51 12.773 13.746 -14.524 1.00 0.00 O ATOM 801 CB TYR A 51 15.386 11.931 -13.562 1.00 0.00 C ATOM 802 CG TYR A 51 14.493 10.913 -12.881 1.00 0.00 C ATOM 803 CD1 TYR A 51 13.122 10.890 -13.106 1.00 0.00 C ATOM 804 CD2 TYR A 51 15.025 9.971 -12.012 1.00 0.00 C ATOM 805 CE1 TYR A 51 12.310 9.958 -12.486 1.00 0.00 C ATOM 806 CE2 TYR A 51 14.221 9.036 -11.388 1.00 0.00 C ATOM 807 CZ TYR A 51 12.865 9.034 -11.628 1.00 0.00 C ATOM 808 OH TYR A 51 12.060 8.102 -11.005 1.00 0.00 O ATOM 0 H TYR A 51 16.796 12.604 -15.478 1.00 0.00 H new ATOM 0 HA TYR A 51 14.116 11.749 -15.278 1.00 0.00 H new ATOM 0 HB2 TYR A 51 16.350 11.470 -13.778 1.00 0.00 H new ATOM 0 HB3 TYR A 51 15.574 12.755 -12.874 1.00 0.00 H new ATOM 0 HD1 TYR A 51 12.683 11.613 -13.777 1.00 0.00 H new ATOM 0 HD2 TYR A 51 16.088 9.968 -11.820 1.00 0.00 H new ATOM 0 HE1 TYR A 51 11.246 9.955 -12.673 1.00 0.00 H new ATOM 0 HE2 TYR A 51 14.654 8.310 -10.715 1.00 0.00 H new ATOM 0 HH TYR A 51 12.609 7.525 -10.434 1.00 0.00 H new ATOM 818 N LEU A 52 14.716 14.881 -14.428 1.00 0.00 N ATOM 819 CA LEU A 52 14.072 16.165 -14.185 1.00 0.00 C ATOM 820 C LEU A 52 13.282 16.615 -15.407 1.00 0.00 C ATOM 821 O LEU A 52 12.285 17.317 -15.285 1.00 0.00 O ATOM 822 CB LEU A 52 15.096 17.238 -13.803 1.00 0.00 C ATOM 823 CG LEU A 52 15.752 17.061 -12.432 1.00 0.00 C ATOM 824 CD1 LEU A 52 16.667 18.236 -12.132 1.00 0.00 C ATOM 825 CD2 LEU A 52 14.695 16.920 -11.345 1.00 0.00 C ATOM 0 H LEU A 52 15.734 14.920 -14.470 1.00 0.00 H new ATOM 0 HA LEU A 52 13.385 16.032 -13.349 1.00 0.00 H new ATOM 0 HB2 LEU A 52 15.878 17.256 -14.562 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.605 18.211 -13.829 1.00 0.00 H new ATOM 0 HG LEU A 52 16.348 16.149 -12.450 1.00 0.00 H new ATOM 0 HD11 LEU A 52 17.128 18.098 -11.154 1.00 0.00 H new ATOM 0 HD12 LEU A 52 17.444 18.296 -12.894 1.00 0.00 H new ATOM 0 HD13 LEU A 52 16.087 19.159 -12.133 1.00 0.00 H new ATOM 0 HD21 LEU A 52 15.182 16.795 -10.378 1.00 0.00 H new ATOM 0 HD22 LEU A 52 14.072 17.814 -11.325 1.00 0.00 H new ATOM 0 HD23 LEU A 52 14.073 16.049 -11.553 1.00 0.00 H new ATOM 837 N ARG A 53 13.723 16.203 -16.582 1.00 0.00 N ATOM 838 CA ARG A 53 13.022 16.545 -17.808 1.00 0.00 C ATOM 839 C ARG A 53 11.707 15.776 -17.900 1.00 0.00 C ATOM 840 O ARG A 53 10.753 16.233 -18.531 1.00 0.00 O ATOM 841 CB ARG A 53 13.912 16.264 -19.022 1.00 0.00 C ATOM 842 CG ARG A 53 13.313 16.710 -20.343 1.00 0.00 C ATOM 843 CD ARG A 53 14.395 17.078 -21.344 1.00 0.00 C ATOM 844 NE ARG A 53 15.233 15.943 -21.730 1.00 0.00 N ATOM 845 CZ ARG A 53 16.564 15.933 -21.628 1.00 0.00 C ATOM 846 NH1 ARG A 53 17.200 16.963 -21.080 1.00 0.00 N ATOM 847 NH2 ARG A 53 17.256 14.895 -22.075 1.00 0.00 N ATOM 0 H ARG A 53 14.559 15.634 -16.714 1.00 0.00 H new ATOM 0 HA ARG A 53 12.789 17.610 -17.797 1.00 0.00 H new ATOM 0 HB2 ARG A 53 14.870 16.765 -18.881 1.00 0.00 H new ATOM 0 HB3 ARG A 53 14.116 15.194 -19.070 1.00 0.00 H new ATOM 0 HG2 ARG A 53 12.693 15.912 -20.751 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.661 17.567 -20.178 1.00 0.00 H new ATOM 0 HD2 ARG A 53 13.929 17.497 -22.236 1.00 0.00 H new ATOM 0 HD3 ARG A 53 15.025 17.858 -20.917 1.00 0.00 H new ATOM 0 HE ARG A 53 14.773 15.110 -22.099 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.671 17.764 -20.736 1.00 0.00 H new ATOM 0 HH12 ARG A 53 18.217 16.952 -21.004 1.00 0.00 H new ATOM 0 HH21 ARG A 53 16.772 14.103 -22.497 1.00 0.00 H new ATOM 0 HH22 ARG A 53 18.273 14.888 -21.997 1.00 0.00 H new ATOM 861 N GLU A 54 11.653 14.614 -17.253 1.00 0.00 N ATOM 862 CA GLU A 54 10.449 13.798 -17.289 1.00 0.00 C ATOM 863 C GLU A 54 9.443 14.212 -16.209 1.00 0.00 C ATOM 864 O GLU A 54 8.392 14.771 -16.529 1.00 0.00 O ATOM 865 CB GLU A 54 10.802 12.316 -17.133 1.00 0.00 C ATOM 866 CG GLU A 54 11.837 11.824 -18.135 1.00 0.00 C ATOM 867 CD GLU A 54 11.494 12.188 -19.566 1.00 0.00 C ATOM 868 OE1 GLU A 54 10.633 11.514 -20.167 1.00 0.00 O ATOM 869 OE2 GLU A 54 12.093 13.147 -20.098 1.00 0.00 O ATOM 0 H GLU A 54 12.419 14.223 -16.705 1.00 0.00 H new ATOM 0 HA GLU A 54 9.980 13.958 -18.260 1.00 0.00 H new ATOM 0 HB2 GLU A 54 11.177 12.145 -16.124 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.894 11.722 -17.241 1.00 0.00 H new ATOM 0 HG2 GLU A 54 12.810 12.246 -17.882 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.928 10.741 -18.053 1.00 0.00 H new ATOM 876 N GLN A 55 9.761 13.971 -14.934 1.00 0.00 N ATOM 877 CA GLN A 55 8.801 14.264 -13.864 1.00 0.00 C ATOM 878 C GLN A 55 9.164 15.539 -13.104 1.00 0.00 C ATOM 879 O GLN A 55 8.303 16.150 -12.467 1.00 0.00 O ATOM 880 CB GLN A 55 8.641 13.076 -12.906 1.00 0.00 C ATOM 881 CG GLN A 55 9.846 12.775 -12.033 1.00 0.00 C ATOM 882 CD GLN A 55 9.633 11.525 -11.198 1.00 0.00 C ATOM 883 OE1 GLN A 55 8.940 10.597 -11.619 1.00 0.00 O ATOM 884 NE2 GLN A 55 10.213 11.489 -10.013 1.00 0.00 N ATOM 0 H GLN A 55 10.651 13.584 -14.622 1.00 0.00 H new ATOM 0 HA GLN A 55 7.837 14.435 -14.344 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.784 13.265 -12.260 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.408 12.187 -13.492 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.728 12.648 -12.661 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.041 13.623 -11.376 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.780 12.277 -9.698 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.095 10.674 -9.412 1.00 0.00 H new ATOM 893 N LEU A 56 10.434 15.926 -13.177 1.00 0.00 N ATOM 894 CA LEU A 56 10.907 17.193 -12.615 1.00 0.00 C ATOM 895 C LEU A 56 10.791 17.227 -11.088 1.00 0.00 C ATOM 896 O LEU A 56 10.348 18.217 -10.516 1.00 0.00 O ATOM 897 CB LEU A 56 10.137 18.373 -13.233 1.00 0.00 C ATOM 898 CG LEU A 56 10.681 19.768 -12.901 1.00 0.00 C ATOM 899 CD1 LEU A 56 12.051 19.977 -13.526 1.00 0.00 C ATOM 900 CD2 LEU A 56 9.708 20.839 -13.365 1.00 0.00 C ATOM 0 H LEU A 56 11.165 15.374 -13.626 1.00 0.00 H new ATOM 0 HA LEU A 56 11.964 17.282 -12.864 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.133 18.253 -14.316 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.100 18.319 -12.902 1.00 0.00 H new ATOM 0 HG LEU A 56 10.790 19.846 -11.819 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.416 20.973 -13.277 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.744 19.229 -13.141 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.976 19.878 -14.609 1.00 0.00 H new ATOM 0 HD21 LEU A 56 10.108 21.824 -13.122 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.567 20.760 -14.443 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.750 20.703 -12.863 1.00 0.00 H new ATOM 912 N GLY A 57 11.183 16.148 -10.431 1.00 0.00 N ATOM 913 CA GLY A 57 11.288 16.170 -8.980 1.00 0.00 C ATOM 914 C GLY A 57 10.002 15.795 -8.269 1.00 0.00 C ATOM 915 O GLY A 57 9.997 15.574 -7.054 1.00 0.00 O ATOM 0 H GLY A 57 11.430 15.260 -10.869 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.077 15.484 -8.671 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.591 17.168 -8.662 1.00 0.00 H new ATOM 919 N PHE A 58 8.912 15.728 -9.011 1.00 0.00 N ATOM 920 CA PHE A 58 7.619 15.417 -8.426 1.00 0.00 C ATOM 921 C PHE A 58 7.317 13.933 -8.562 1.00 0.00 C ATOM 922 O PHE A 58 6.963 13.468 -9.646 1.00 0.00 O ATOM 923 CB PHE A 58 6.505 16.212 -9.115 1.00 0.00 C ATOM 924 CG PHE A 58 6.732 17.696 -9.156 1.00 0.00 C ATOM 925 CD1 PHE A 58 6.580 18.466 -8.016 1.00 0.00 C ATOM 926 CD2 PHE A 58 7.081 18.321 -10.341 1.00 0.00 C ATOM 927 CE1 PHE A 58 6.774 19.834 -8.059 1.00 0.00 C ATOM 928 CE2 PHE A 58 7.277 19.686 -10.389 1.00 0.00 C ATOM 929 CZ PHE A 58 7.122 20.443 -9.247 1.00 0.00 C ATOM 0 H PHE A 58 8.895 15.884 -10.019 1.00 0.00 H new ATOM 0 HA PHE A 58 7.659 15.689 -7.371 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.393 15.846 -10.136 1.00 0.00 H new ATOM 0 HB3 PHE A 58 5.564 16.015 -8.601 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.307 17.994 -7.084 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.201 17.733 -11.239 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.653 20.425 -7.163 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.551 20.161 -11.319 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.273 21.512 -9.282 1.00 0.00 H new ATOM 939 N GLU A 59 7.442 13.181 -7.473 1.00 0.00 N ATOM 940 CA GLU A 59 7.061 11.780 -7.526 1.00 0.00 C ATOM 941 C GLU A 59 5.614 11.616 -7.080 1.00 0.00 C ATOM 942 O GLU A 59 5.295 11.677 -5.892 1.00 0.00 O ATOM 943 CB GLU A 59 7.967 10.899 -6.660 1.00 0.00 C ATOM 944 CG GLU A 59 7.583 9.430 -6.749 1.00 0.00 C ATOM 945 CD GLU A 59 8.432 8.526 -5.889 1.00 0.00 C ATOM 946 OE1 GLU A 59 8.229 8.510 -4.659 1.00 0.00 O ATOM 947 OE2 GLU A 59 9.263 7.782 -6.450 1.00 0.00 O ATOM 0 H GLU A 59 7.793 13.507 -6.572 1.00 0.00 H new ATOM 0 HA GLU A 59 7.173 11.454 -8.560 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.003 11.023 -6.975 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.908 11.227 -5.622 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.539 9.319 -6.457 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.660 9.106 -7.787 1.00 0.00 H new ATOM 954 N PHE A 60 4.741 11.431 -8.059 1.00 0.00 N ATOM 955 CA PHE A 60 3.330 11.209 -7.795 1.00 0.00 C ATOM 956 C PHE A 60 3.103 9.764 -7.378 1.00 0.00 C ATOM 957 O PHE A 60 3.224 8.845 -8.192 1.00 0.00 O ATOM 958 CB PHE A 60 2.492 11.542 -9.035 1.00 0.00 C ATOM 959 CG PHE A 60 2.633 12.967 -9.494 1.00 0.00 C ATOM 960 CD1 PHE A 60 1.882 13.974 -8.911 1.00 0.00 C ATOM 961 CD2 PHE A 60 3.516 13.297 -10.509 1.00 0.00 C ATOM 962 CE1 PHE A 60 2.009 15.285 -9.332 1.00 0.00 C ATOM 963 CE2 PHE A 60 3.647 14.604 -10.934 1.00 0.00 C ATOM 964 CZ PHE A 60 2.894 15.599 -10.346 1.00 0.00 C ATOM 0 H PHE A 60 4.988 11.431 -9.049 1.00 0.00 H new ATOM 0 HA PHE A 60 3.018 11.866 -6.983 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.782 10.877 -9.848 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.443 11.341 -8.818 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.189 13.733 -8.118 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.109 12.523 -10.973 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.418 16.062 -8.870 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.339 14.847 -11.727 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.996 16.622 -10.678 1.00 0.00 H new ATOM 974 N LYS A 61 2.793 9.570 -6.107 1.00 0.00 N ATOM 975 CA LYS A 61 2.590 8.239 -5.562 1.00 0.00 C ATOM 976 C LYS A 61 1.125 7.998 -5.233 1.00 0.00 C ATOM 977 O LYS A 61 0.592 8.534 -4.262 1.00 0.00 O ATOM 978 CB LYS A 61 3.447 8.041 -4.313 1.00 0.00 C ATOM 979 CG LYS A 61 4.898 7.686 -4.606 1.00 0.00 C ATOM 980 CD LYS A 61 5.023 6.254 -5.101 1.00 0.00 C ATOM 981 CE LYS A 61 6.470 5.869 -5.363 1.00 0.00 C ATOM 982 NZ LYS A 61 7.338 6.076 -4.172 1.00 0.00 N ATOM 0 H LYS A 61 2.676 10.323 -5.430 1.00 0.00 H new ATOM 0 HA LYS A 61 2.892 7.516 -6.320 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.420 8.954 -3.718 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.007 7.251 -3.704 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.298 8.369 -5.355 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.496 7.816 -3.704 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.595 5.576 -4.363 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.444 6.135 -6.017 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.516 4.823 -5.665 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.854 6.458 -6.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.202 5.506 -4.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.593 7.082 -4.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.826 5.785 -3.315 1.00 0.00 H new ATOM 996 N ASN A 62 0.473 7.204 -6.059 1.00 0.00 N ATOM 997 CA ASN A 62 -0.898 6.800 -5.794 1.00 0.00 C ATOM 998 C ASN A 62 -0.913 5.741 -4.706 1.00 0.00 C ATOM 999 O ASN A 62 0.134 5.197 -4.350 1.00 0.00 O ATOM 1000 CB ASN A 62 -1.562 6.256 -7.066 1.00 0.00 C ATOM 1001 CG ASN A 62 -2.181 7.344 -7.926 1.00 0.00 C ATOM 1002 OD1 ASN A 62 -2.121 7.289 -9.154 1.00 0.00 O ATOM 1003 ND2 ASN A 62 -2.835 8.306 -7.293 1.00 0.00 N ATOM 0 H ASN A 62 0.868 6.825 -6.919 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.462 7.672 -5.462 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.820 5.715 -7.653 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.333 5.538 -6.788 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.311 9.034 -7.825 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.863 8.318 -6.273 1.00 0.00 H new ATOM 1010 N ALA A 63 -2.093 5.438 -4.189 1.00 0.00 N ATOM 1011 CA ALA A 63 -2.261 4.370 -3.204 1.00 0.00 C ATOM 1012 C ALA A 63 -2.059 2.987 -3.838 1.00 0.00 C ATOM 1013 O ALA A 63 -2.675 2.006 -3.423 1.00 0.00 O ATOM 1014 CB ALA A 63 -3.640 4.462 -2.569 1.00 0.00 C ATOM 0 H ALA A 63 -2.958 5.919 -4.435 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.501 4.497 -2.433 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.757 3.663 -1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.749 5.427 -2.074 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -4.403 4.362 -3.341 1.00 0.00 H new ATOM 1477 N ASP B 19 4.342 -0.908 6.570 1.00 0.00 N ATOM 1478 CA ASP B 19 4.489 0.089 5.504 1.00 0.00 C ATOM 1479 C ASP B 19 4.028 1.470 5.967 1.00 0.00 C ATOM 1480 O ASP B 19 3.595 2.297 5.166 1.00 0.00 O ATOM 1481 CB ASP B 19 3.701 -0.336 4.250 1.00 0.00 C ATOM 1482 CG ASP B 19 2.244 -0.678 4.527 1.00 0.00 C ATOM 1483 OD1 ASP B 19 1.480 0.204 4.967 1.00 0.00 O ATOM 1484 OD2 ASP B 19 1.850 -1.841 4.291 1.00 0.00 O ATOM 0 HA ASP B 19 5.548 0.149 5.254 1.00 0.00 H new ATOM 0 HB2 ASP B 19 3.742 0.469 3.516 1.00 0.00 H new ATOM 0 HB3 ASP B 19 4.189 -1.202 3.802 1.00 0.00 H new ATOM 1489 N VAL B 20 4.171 1.730 7.256 1.00 0.00 N ATOM 1490 CA VAL B 20 3.682 2.973 7.838 1.00 0.00 C ATOM 1491 C VAL B 20 4.624 4.146 7.556 1.00 0.00 C ATOM 1492 O VAL B 20 5.615 4.352 8.265 1.00 0.00 O ATOM 1493 CB VAL B 20 3.480 2.844 9.363 1.00 0.00 C ATOM 1494 CG1 VAL B 20 2.829 4.097 9.931 1.00 0.00 C ATOM 1495 CG2 VAL B 20 2.653 1.610 9.695 1.00 0.00 C ATOM 0 H VAL B 20 4.621 1.100 7.920 1.00 0.00 H new ATOM 0 HA VAL B 20 2.721 3.173 7.364 1.00 0.00 H new ATOM 0 HB VAL B 20 4.460 2.732 9.826 1.00 0.00 H new ATOM 0 HG11 VAL B 20 2.697 3.983 11.007 1.00 0.00 H new ATOM 0 HG12 VAL B 20 3.466 4.959 9.733 1.00 0.00 H new ATOM 0 HG13 VAL B 20 1.858 4.248 9.460 1.00 0.00 H new ATOM 0 HG21 VAL B 20 2.523 1.539 10.775 1.00 0.00 H new ATOM 0 HG22 VAL B 20 1.677 1.687 9.216 1.00 0.00 H new ATOM 0 HG23 VAL B 20 3.166 0.720 9.332 1.00 0.00 H new ATOM 1505 N GLN B 21 4.327 4.891 6.499 1.00 0.00 N ATOM 1506 CA GLN B 21 5.004 6.153 6.232 1.00 0.00 C ATOM 1507 C GLN B 21 4.084 7.306 6.617 1.00 0.00 C ATOM 1508 O GLN B 21 2.868 7.140 6.686 1.00 0.00 O ATOM 1509 CB GLN B 21 5.409 6.278 4.756 1.00 0.00 C ATOM 1510 CG GLN B 21 4.279 5.998 3.781 1.00 0.00 C ATOM 1511 CD GLN B 21 4.544 6.573 2.408 1.00 0.00 C ATOM 1512 OE1 GLN B 21 5.156 5.935 1.551 1.00 0.00 O ATOM 1513 NE2 GLN B 21 4.066 7.785 2.186 1.00 0.00 N ATOM 0 H GLN B 21 3.618 4.641 5.810 1.00 0.00 H new ATOM 0 HA GLN B 21 5.916 6.185 6.828 1.00 0.00 H new ATOM 0 HB2 GLN B 21 5.788 7.284 4.578 1.00 0.00 H new ATOM 0 HB3 GLN B 21 6.228 5.588 4.555 1.00 0.00 H new ATOM 0 HG2 GLN B 21 4.133 4.921 3.698 1.00 0.00 H new ATOM 0 HG3 GLN B 21 3.352 6.416 4.174 1.00 0.00 H new ATOM 0 HE21 GLN B 21 3.565 8.279 2.924 1.00 0.00 H new ATOM 0 HE22 GLN B 21 4.198 8.227 1.276 1.00 0.00 H new ATOM 1522 N ILE B 22 4.655 8.466 6.881 1.00 0.00 N ATOM 1523 CA ILE B 22 3.861 9.621 7.266 1.00 0.00 C ATOM 1524 C ILE B 22 4.250 10.840 6.440 1.00 0.00 C ATOM 1525 O ILE B 22 5.402 10.978 6.030 1.00 0.00 O ATOM 1526 CB ILE B 22 4.008 9.939 8.775 1.00 0.00 C ATOM 1527 CG1 ILE B 22 3.547 8.751 9.623 1.00 0.00 C ATOM 1528 CG2 ILE B 22 3.210 11.177 9.147 1.00 0.00 C ATOM 1529 CD1 ILE B 22 3.443 9.070 11.099 1.00 0.00 C ATOM 0 H ILE B 22 5.660 8.635 6.837 1.00 0.00 H new ATOM 0 HA ILE B 22 2.817 9.375 7.072 1.00 0.00 H new ATOM 0 HB ILE B 22 5.062 10.130 8.976 1.00 0.00 H new ATOM 0 HG12 ILE B 22 2.576 8.412 9.263 1.00 0.00 H new ATOM 0 HG13 ILE B 22 4.244 7.924 9.486 1.00 0.00 H new ATOM 0 HG21 ILE B 22 3.329 11.380 10.211 1.00 0.00 H new ATOM 0 HG22 ILE B 22 3.572 12.029 8.572 1.00 0.00 H new ATOM 0 HG23 ILE B 22 2.156 11.011 8.925 1.00 0.00 H new ATOM 0 HD11 ILE B 22 3.111 8.184 11.640 1.00 0.00 H new ATOM 0 HD12 ILE B 22 4.418 9.380 11.474 1.00 0.00 H new ATOM 0 HD13 ILE B 22 2.724 9.876 11.247 1.00 0.00 H new ATOM 1541 N ASP B 23 3.275 11.703 6.179 1.00 0.00 N ATOM 1542 CA ASP B 23 3.500 12.931 5.445 1.00 0.00 C ATOM 1543 C ASP B 23 4.237 13.958 6.305 1.00 0.00 C ATOM 1544 O ASP B 23 4.768 13.641 7.370 1.00 0.00 O ATOM 1545 CB ASP B 23 2.158 13.515 4.999 1.00 0.00 C ATOM 1546 CG ASP B 23 1.322 13.986 6.172 1.00 0.00 C ATOM 1547 OD1 ASP B 23 0.951 13.147 7.020 1.00 0.00 O ATOM 1548 OD2 ASP B 23 1.042 15.196 6.253 1.00 0.00 O ATOM 0 H ASP B 23 2.308 11.566 6.473 1.00 0.00 H new ATOM 0 HA ASP B 23 4.115 12.701 4.575 1.00 0.00 H new ATOM 0 HB2 ASP B 23 2.334 14.351 4.322 1.00 0.00 H new ATOM 0 HB3 ASP B 23 1.604 12.762 4.439 1.00 0.00 H new ATOM 1553 N PHE B 24 4.248 15.189 5.827 1.00 0.00 N ATOM 1554 CA PHE B 24 4.896 16.293 6.515 1.00 0.00 C ATOM 1555 C PHE B 24 4.173 16.648 7.818 1.00 0.00 C ATOM 1556 O PHE B 24 4.809 16.988 8.817 1.00 0.00 O ATOM 1557 CB PHE B 24 4.932 17.506 5.576 1.00 0.00 C ATOM 1558 CG PHE B 24 5.530 18.745 6.177 1.00 0.00 C ATOM 1559 CD1 PHE B 24 6.893 18.969 6.111 1.00 0.00 C ATOM 1560 CD2 PHE B 24 4.728 19.689 6.798 1.00 0.00 C ATOM 1561 CE1 PHE B 24 7.446 20.111 6.655 1.00 0.00 C ATOM 1562 CE2 PHE B 24 5.276 20.832 7.343 1.00 0.00 C ATOM 1563 CZ PHE B 24 6.637 21.043 7.273 1.00 0.00 C ATOM 0 H PHE B 24 3.806 15.453 4.947 1.00 0.00 H new ATOM 0 HA PHE B 24 5.910 15.995 6.781 1.00 0.00 H new ATOM 0 HB2 PHE B 24 5.499 17.241 4.683 1.00 0.00 H new ATOM 0 HB3 PHE B 24 3.915 17.729 5.253 1.00 0.00 H new ATOM 0 HD1 PHE B 24 7.531 18.243 5.629 1.00 0.00 H new ATOM 0 HD2 PHE B 24 3.662 19.528 6.856 1.00 0.00 H new ATOM 0 HE1 PHE B 24 8.512 20.275 6.597 1.00 0.00 H new ATOM 0 HE2 PHE B 24 4.640 21.560 7.824 1.00 0.00 H new ATOM 0 HZ PHE B 24 7.069 21.936 7.701 1.00 0.00 H new ATOM 1573 N TYR B 25 2.849 16.545 7.815 1.00 0.00 N ATOM 1574 CA TYR B 25 2.046 17.049 8.924 1.00 0.00 C ATOM 1575 C TYR B 25 1.822 15.996 10.007 1.00 0.00 C ATOM 1576 O TYR B 25 1.782 16.324 11.192 1.00 0.00 O ATOM 1577 CB TYR B 25 0.708 17.580 8.404 1.00 0.00 C ATOM 1578 CG TYR B 25 0.871 18.695 7.393 1.00 0.00 C ATOM 1579 CD1 TYR B 25 1.053 20.009 7.805 1.00 0.00 C ATOM 1580 CD2 TYR B 25 0.864 18.431 6.027 1.00 0.00 C ATOM 1581 CE1 TYR B 25 1.220 21.029 6.888 1.00 0.00 C ATOM 1582 CE2 TYR B 25 1.035 19.445 5.104 1.00 0.00 C ATOM 1583 CZ TYR B 25 1.211 20.740 5.538 1.00 0.00 C ATOM 1584 OH TYR B 25 1.388 21.749 4.622 1.00 0.00 O ATOM 0 H TYR B 25 2.310 16.119 7.061 1.00 0.00 H new ATOM 0 HA TYR B 25 2.603 17.864 9.387 1.00 0.00 H new ATOM 0 HB2 TYR B 25 0.150 16.762 7.949 1.00 0.00 H new ATOM 0 HB3 TYR B 25 0.115 17.942 9.244 1.00 0.00 H new ATOM 0 HD1 TYR B 25 1.064 20.237 8.861 1.00 0.00 H new ATOM 0 HD2 TYR B 25 0.723 17.417 5.683 1.00 0.00 H new ATOM 0 HE1 TYR B 25 1.357 22.046 7.225 1.00 0.00 H new ATOM 0 HE2 TYR B 25 1.031 19.223 4.047 1.00 0.00 H new ATOM 0 HH TYR B 25 0.602 21.804 4.040 1.00 0.00 H new ATOM 1594 N GLY B 26 1.690 14.736 9.617 1.00 0.00 N ATOM 1595 CA GLY B 26 1.488 13.694 10.603 1.00 0.00 C ATOM 1596 C GLY B 26 0.096 13.102 10.554 1.00 0.00 C ATOM 1597 O GLY B 26 -0.512 12.844 11.590 1.00 0.00 O ATOM 0 H GLY B 26 1.719 14.419 8.648 1.00 0.00 H new ATOM 0 HA2 GLY B 26 2.220 12.902 10.444 1.00 0.00 H new ATOM 0 HA3 GLY B 26 1.670 14.101 11.598 1.00 0.00 H new ATOM 1601 N ASP B 27 -0.407 12.885 9.350 1.00 0.00 N ATOM 1602 CA ASP B 27 -1.729 12.292 9.170 1.00 0.00 C ATOM 1603 C ASP B 27 -1.606 10.776 9.062 1.00 0.00 C ATOM 1604 O ASP B 27 -2.601 10.052 9.127 1.00 0.00 O ATOM 1605 CB ASP B 27 -2.392 12.861 7.910 1.00 0.00 C ATOM 1606 CG ASP B 27 -3.849 12.460 7.775 1.00 0.00 C ATOM 1607 OD1 ASP B 27 -4.715 13.160 8.339 1.00 0.00 O ATOM 1608 OD2 ASP B 27 -4.141 11.452 7.100 1.00 0.00 O ATOM 0 H ASP B 27 0.077 13.109 8.481 1.00 0.00 H new ATOM 0 HA ASP B 27 -2.350 12.535 10.032 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -2.320 13.948 7.928 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -1.844 12.520 7.032 1.00 0.00 H new ATOM 1613 N GLU B 28 -0.358 10.317 8.932 1.00 0.00 N ATOM 1614 CA GLU B 28 -0.038 8.905 8.722 1.00 0.00 C ATOM 1615 C GLU B 28 -0.581 8.440 7.374 1.00 0.00 C ATOM 1616 O GLU B 28 -1.756 8.100 7.242 1.00 0.00 O ATOM 1617 CB GLU B 28 -0.584 8.023 9.853 1.00 0.00 C ATOM 1618 CG GLU B 28 -0.129 6.576 9.755 1.00 0.00 C ATOM 1619 CD GLU B 28 -0.858 5.659 10.716 1.00 0.00 C ATOM 1620 OE1 GLU B 28 -1.929 5.132 10.342 1.00 0.00 O ATOM 1621 OE2 GLU B 28 -0.365 5.453 11.844 1.00 0.00 O ATOM 0 H GLU B 28 0.464 10.920 8.970 1.00 0.00 H new ATOM 0 HA GLU B 28 1.047 8.805 8.725 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -0.266 8.433 10.811 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -1.673 8.057 9.838 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -0.282 6.221 8.736 1.00 0.00 H new ATOM 0 HG3 GLU B 28 0.942 6.523 9.953 1.00 0.00 H new ATOM 1628 N VAL B 29 0.284 8.434 6.375 1.00 0.00 N ATOM 1629 CA VAL B 29 -0.130 8.149 5.010 1.00 0.00 C ATOM 1630 C VAL B 29 0.090 6.684 4.668 1.00 0.00 C ATOM 1631 O VAL B 29 1.217 6.255 4.425 1.00 0.00 O ATOM 1632 CB VAL B 29 0.629 9.034 3.999 1.00 0.00 C ATOM 1633 CG1 VAL B 29 0.109 8.814 2.587 1.00 0.00 C ATOM 1634 CG2 VAL B 29 0.527 10.499 4.388 1.00 0.00 C ATOM 0 H VAL B 29 1.280 8.624 6.483 1.00 0.00 H new ATOM 0 HA VAL B 29 -1.195 8.373 4.943 1.00 0.00 H new ATOM 0 HB VAL B 29 1.680 8.747 4.019 1.00 0.00 H new ATOM 0 HG11 VAL B 29 0.660 9.449 1.893 1.00 0.00 H new ATOM 0 HG12 VAL B 29 0.244 7.769 2.308 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -0.951 9.066 2.546 1.00 0.00 H new ATOM 0 HG21 VAL B 29 1.069 11.107 3.663 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -0.521 10.799 4.403 1.00 0.00 H new ATOM 0 HG23 VAL B 29 0.960 10.644 5.378 1.00 0.00 H new ATOM 1644 N THR B 30 -0.986 5.919 4.666 1.00 0.00 N ATOM 1645 CA THR B 30 -0.913 4.511 4.330 1.00 0.00 C ATOM 1646 C THR B 30 -1.268 4.307 2.858 1.00 0.00 C ATOM 1647 O THR B 30 -1.777 5.227 2.213 1.00 0.00 O ATOM 1648 CB THR B 30 -1.850 3.672 5.231 1.00 0.00 C ATOM 1649 OG1 THR B 30 -3.206 4.136 5.126 1.00 0.00 O ATOM 1650 CG2 THR B 30 -1.399 3.734 6.682 1.00 0.00 C ATOM 0 H THR B 30 -1.923 6.251 4.894 1.00 0.00 H new ATOM 0 HA THR B 30 0.108 4.171 4.502 1.00 0.00 H new ATOM 0 HB THR B 30 -1.803 2.638 4.890 1.00 0.00 H new ATOM 0 HG1 THR B 30 -3.783 3.592 5.701 1.00 0.00 H new ATOM 0 HG21 THR B 30 -2.072 3.137 7.298 1.00 0.00 H new ATOM 0 HG22 THR B 30 -0.386 3.341 6.765 1.00 0.00 H new ATOM 0 HG23 THR B 30 -1.416 4.769 7.024 1.00 0.00 H new ATOM 1658 N PRO B 31 -1.004 3.108 2.304 1.00 0.00 N ATOM 1659 CA PRO B 31 -1.300 2.774 0.896 1.00 0.00 C ATOM 1660 C PRO B 31 -2.798 2.774 0.564 1.00 0.00 C ATOM 1661 O PRO B 31 -3.223 2.155 -0.410 1.00 0.00 O ATOM 1662 CB PRO B 31 -0.722 1.369 0.727 1.00 0.00 C ATOM 1663 CG PRO B 31 -0.651 0.810 2.104 1.00 0.00 C ATOM 1664 CD PRO B 31 -0.363 1.977 3.000 1.00 0.00 C ATOM 0 HA PRO B 31 -0.873 3.518 0.224 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -1.356 0.757 0.085 1.00 0.00 H new ATOM 0 HB3 PRO B 31 0.264 1.402 0.264 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -1.588 0.327 2.379 1.00 0.00 H new ATOM 0 HG3 PRO B 31 0.131 0.055 2.180 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -0.779 1.831 3.997 1.00 0.00 H new ATOM 0 HD3 PRO B 31 0.709 2.135 3.122 1.00 0.00 H new ATOM 1672 N VAL B 32 -3.591 3.443 1.387 1.00 0.00 N ATOM 1673 CA VAL B 32 -5.013 3.602 1.129 1.00 0.00 C ATOM 1674 C VAL B 32 -5.286 5.001 0.572 1.00 0.00 C ATOM 1675 O VAL B 32 -6.302 5.239 -0.086 1.00 0.00 O ATOM 1676 CB VAL B 32 -5.843 3.391 2.415 1.00 0.00 C ATOM 1677 CG1 VAL B 32 -7.333 3.349 2.106 1.00 0.00 C ATOM 1678 CG2 VAL B 32 -5.411 2.122 3.132 1.00 0.00 C ATOM 0 H VAL B 32 -3.269 3.888 2.247 1.00 0.00 H new ATOM 0 HA VAL B 32 -5.309 2.848 0.400 1.00 0.00 H new ATOM 0 HB VAL B 32 -5.659 4.240 3.074 1.00 0.00 H new ATOM 0 HG11 VAL B 32 -7.892 3.199 3.030 1.00 0.00 H new ATOM 0 HG12 VAL B 32 -7.636 4.290 1.647 1.00 0.00 H new ATOM 0 HG13 VAL B 32 -7.539 2.527 1.420 1.00 0.00 H new ATOM 0 HG21 VAL B 32 -6.008 1.993 4.035 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -5.557 1.265 2.475 1.00 0.00 H new ATOM 0 HG23 VAL B 32 -4.358 2.197 3.402 1.00 0.00 H new ATOM 1688 N ASP B 33 -4.359 5.919 0.825 1.00 0.00 N ATOM 1689 CA ASP B 33 -4.522 7.305 0.402 1.00 0.00 C ATOM 1690 C ASP B 33 -3.454 7.664 -0.626 1.00 0.00 C ATOM 1691 O ASP B 33 -2.502 6.909 -0.828 1.00 0.00 O ATOM 1692 CB ASP B 33 -4.421 8.241 1.611 1.00 0.00 C ATOM 1693 CG ASP B 33 -5.298 9.473 1.481 1.00 0.00 C ATOM 1694 OD1 ASP B 33 -5.206 10.181 0.460 1.00 0.00 O ATOM 1695 OD2 ASP B 33 -6.093 9.737 2.409 1.00 0.00 O ATOM 0 H ASP B 33 -3.488 5.728 1.320 1.00 0.00 H new ATOM 0 HA ASP B 33 -5.506 7.422 -0.052 1.00 0.00 H new ATOM 0 HB2 ASP B 33 -4.702 7.695 2.511 1.00 0.00 H new ATOM 0 HB3 ASP B 33 -3.384 8.552 1.738 1.00 0.00 H new ATOM 1700 N ASP B 34 -3.609 8.815 -1.260 1.00 0.00 N ATOM 1701 CA ASP B 34 -2.675 9.252 -2.289 1.00 0.00 C ATOM 1702 C ASP B 34 -1.743 10.323 -1.741 1.00 0.00 C ATOM 1703 O ASP B 34 -2.140 11.139 -0.902 1.00 0.00 O ATOM 1704 CB ASP B 34 -3.420 9.801 -3.512 1.00 0.00 C ATOM 1705 CG ASP B 34 -4.185 8.738 -4.276 1.00 0.00 C ATOM 1706 OD1 ASP B 34 -3.552 7.781 -4.767 1.00 0.00 O ATOM 1707 OD2 ASP B 34 -5.419 8.877 -4.425 1.00 0.00 O ATOM 0 H ASP B 34 -4.374 9.466 -1.081 1.00 0.00 H new ATOM 0 HA ASP B 34 -2.089 8.385 -2.595 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -4.115 10.576 -3.188 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -2.703 10.275 -4.182 1.00 0.00 H new ATOM 1712 N TYR B 35 -0.508 10.332 -2.216 1.00 0.00 N ATOM 1713 CA TYR B 35 0.463 11.313 -1.766 1.00 0.00 C ATOM 1714 C TYR B 35 1.476 11.622 -2.860 1.00 0.00 C ATOM 1715 O TYR B 35 1.501 10.974 -3.904 1.00 0.00 O ATOM 1716 CB TYR B 35 1.179 10.822 -0.501 1.00 0.00 C ATOM 1717 CG TYR B 35 2.011 9.571 -0.689 1.00 0.00 C ATOM 1718 CD1 TYR B 35 1.422 8.312 -0.712 1.00 0.00 C ATOM 1719 CD2 TYR B 35 3.392 9.651 -0.822 1.00 0.00 C ATOM 1720 CE1 TYR B 35 2.185 7.171 -0.861 1.00 0.00 C ATOM 1721 CE2 TYR B 35 4.160 8.514 -0.976 1.00 0.00 C ATOM 1722 CZ TYR B 35 3.552 7.277 -0.994 1.00 0.00 C ATOM 1723 OH TYR B 35 4.315 6.142 -1.123 1.00 0.00 O ATOM 0 H TYR B 35 -0.156 9.673 -2.911 1.00 0.00 H new ATOM 0 HA TYR B 35 -0.074 12.232 -1.530 1.00 0.00 H new ATOM 0 HB2 TYR B 35 1.825 11.619 -0.133 1.00 0.00 H new ATOM 0 HB3 TYR B 35 0.434 10.633 0.272 1.00 0.00 H new ATOM 0 HD1 TYR B 35 0.350 8.225 -0.612 1.00 0.00 H new ATOM 0 HD2 TYR B 35 3.872 10.618 -0.805 1.00 0.00 H new ATOM 0 HE1 TYR B 35 1.712 6.200 -0.873 1.00 0.00 H new ATOM 0 HE2 TYR B 35 5.232 8.593 -1.082 1.00 0.00 H new ATOM 0 HH TYR B 35 4.692 5.900 -0.251 1.00 0.00 H new ATOM 1733 N VAL B 36 2.290 12.633 -2.631 1.00 0.00 N ATOM 1734 CA VAL B 36 3.364 12.979 -3.547 1.00 0.00 C ATOM 1735 C VAL B 36 4.616 13.289 -2.753 1.00 0.00 C ATOM 1736 O VAL B 36 4.545 13.894 -1.682 1.00 0.00 O ATOM 1737 CB VAL B 36 2.993 14.186 -4.442 1.00 0.00 C ATOM 1738 CG1 VAL B 36 4.169 14.625 -5.307 1.00 0.00 C ATOM 1739 CG2 VAL B 36 1.802 13.846 -5.317 1.00 0.00 C ATOM 0 H VAL B 36 2.228 13.236 -1.811 1.00 0.00 H new ATOM 0 HA VAL B 36 3.538 12.127 -4.205 1.00 0.00 H new ATOM 0 HB VAL B 36 2.731 15.016 -3.786 1.00 0.00 H new ATOM 0 HG11 VAL B 36 3.871 15.474 -5.922 1.00 0.00 H new ATOM 0 HG12 VAL B 36 5.003 14.914 -4.668 1.00 0.00 H new ATOM 0 HG13 VAL B 36 4.475 13.800 -5.951 1.00 0.00 H new ATOM 0 HG21 VAL B 36 1.552 14.704 -5.941 1.00 0.00 H new ATOM 0 HG22 VAL B 36 2.048 12.995 -5.952 1.00 0.00 H new ATOM 0 HG23 VAL B 36 0.948 13.594 -4.688 1.00 0.00 H new ATOM 1749 N ILE B 37 5.751 12.849 -3.255 1.00 0.00 N ATOM 1750 CA ILE B 37 7.008 13.074 -2.575 1.00 0.00 C ATOM 1751 C ILE B 37 7.787 14.204 -3.242 1.00 0.00 C ATOM 1752 O ILE B 37 8.134 14.120 -4.425 1.00 0.00 O ATOM 1753 CB ILE B 37 7.860 11.788 -2.531 1.00 0.00 C ATOM 1754 CG1 ILE B 37 7.140 10.709 -1.717 1.00 0.00 C ATOM 1755 CG2 ILE B 37 9.230 12.073 -1.937 1.00 0.00 C ATOM 1756 CD1 ILE B 37 7.949 9.443 -1.527 1.00 0.00 C ATOM 0 H ILE B 37 5.828 12.333 -4.132 1.00 0.00 H new ATOM 0 HA ILE B 37 6.782 13.364 -1.549 1.00 0.00 H new ATOM 0 HB ILE B 37 7.998 11.427 -3.550 1.00 0.00 H new ATOM 0 HG12 ILE B 37 6.884 11.116 -0.739 1.00 0.00 H new ATOM 0 HG13 ILE B 37 6.202 10.458 -2.213 1.00 0.00 H new ATOM 0 HG21 ILE B 37 9.815 11.154 -1.915 1.00 0.00 H new ATOM 0 HG22 ILE B 37 9.744 12.816 -2.547 1.00 0.00 H new ATOM 0 HG23 ILE B 37 9.115 12.454 -0.922 1.00 0.00 H new ATOM 0 HD11 ILE B 37 7.372 8.727 -0.941 1.00 0.00 H new ATOM 0 HD12 ILE B 37 8.183 9.011 -2.500 1.00 0.00 H new ATOM 0 HD13 ILE B 37 8.875 9.678 -1.003 1.00 0.00 H new ATOM 1768 N ASP B 38 8.042 15.263 -2.477 1.00 0.00 N ATOM 1769 CA ASP B 38 8.821 16.399 -2.968 1.00 0.00 C ATOM 1770 C ASP B 38 10.291 16.155 -2.683 1.00 0.00 C ATOM 1771 O ASP B 38 10.798 16.513 -1.618 1.00 0.00 O ATOM 1772 CB ASP B 38 8.366 17.716 -2.318 1.00 0.00 C ATOM 1773 CG ASP B 38 9.176 18.925 -2.778 1.00 0.00 C ATOM 1774 OD1 ASP B 38 8.907 19.445 -3.878 1.00 0.00 O ATOM 1775 OD2 ASP B 38 10.072 19.373 -2.029 1.00 0.00 O ATOM 0 H ASP B 38 7.721 15.359 -1.514 1.00 0.00 H new ATOM 0 HA ASP B 38 8.662 16.491 -4.042 1.00 0.00 H new ATOM 0 HB2 ASP B 38 7.314 17.883 -2.548 1.00 0.00 H new ATOM 0 HB3 ASP B 38 8.445 17.625 -1.235 1.00 0.00 H new ATOM 1780 N GLY B 39 10.950 15.463 -3.601 1.00 0.00 N ATOM 1781 CA GLY B 39 12.361 15.155 -3.443 1.00 0.00 C ATOM 1782 C GLY B 39 12.625 14.059 -2.420 1.00 0.00 C ATOM 1783 O GLY B 39 13.499 13.223 -2.616 1.00 0.00 O ATOM 0 H GLY B 39 10.531 15.106 -4.460 1.00 0.00 H new ATOM 0 HA2 GLY B 39 12.770 14.850 -4.406 1.00 0.00 H new ATOM 0 HA3 GLY B 39 12.892 16.058 -3.143 1.00 0.00 H new ATOM 1787 N GLY B 40 11.840 14.040 -1.355 1.00 0.00 N ATOM 1788 CA GLY B 40 12.083 13.132 -0.251 1.00 0.00 C ATOM 1789 C GLY B 40 11.052 13.292 0.846 1.00 0.00 C ATOM 1790 O GLY B 40 10.790 12.359 1.605 1.00 0.00 O ATOM 0 H GLY B 40 11.028 14.645 -1.234 1.00 0.00 H new ATOM 0 HA2 GLY B 40 12.069 12.105 -0.615 1.00 0.00 H new ATOM 0 HA3 GLY B 40 13.078 13.313 0.156 1.00 0.00 H new ATOM 1794 N GLU B 41 10.464 14.480 0.931 1.00 0.00 N ATOM 1795 CA GLU B 41 9.407 14.744 1.892 1.00 0.00 C ATOM 1796 C GLU B 41 8.080 14.227 1.346 1.00 0.00 C ATOM 1797 O GLU B 41 7.730 14.490 0.194 1.00 0.00 O ATOM 1798 CB GLU B 41 9.317 16.246 2.179 1.00 0.00 C ATOM 1799 CG GLU B 41 8.378 16.608 3.322 1.00 0.00 C ATOM 1800 CD GLU B 41 8.877 16.114 4.665 1.00 0.00 C ATOM 1801 OE1 GLU B 41 8.555 14.969 5.039 1.00 0.00 O ATOM 1802 OE2 GLU B 41 9.599 16.866 5.353 1.00 0.00 O ATOM 0 H GLU B 41 10.705 15.277 0.342 1.00 0.00 H new ATOM 0 HA GLU B 41 9.633 14.228 2.825 1.00 0.00 H new ATOM 0 HB2 GLU B 41 10.314 16.621 2.410 1.00 0.00 H new ATOM 0 HB3 GLU B 41 8.986 16.758 1.276 1.00 0.00 H new ATOM 0 HG2 GLU B 41 8.257 17.691 3.359 1.00 0.00 H new ATOM 0 HG3 GLU B 41 7.393 16.184 3.126 1.00 0.00 H new ATOM 1809 N ILE B 42 7.363 13.479 2.163 1.00 0.00 N ATOM 1810 CA ILE B 42 6.071 12.927 1.784 1.00 0.00 C ATOM 1811 C ILE B 42 4.963 13.928 2.087 1.00 0.00 C ATOM 1812 O ILE B 42 4.844 14.406 3.210 1.00 0.00 O ATOM 1813 CB ILE B 42 5.781 11.613 2.549 1.00 0.00 C ATOM 1814 CG1 ILE B 42 6.824 10.546 2.206 1.00 0.00 C ATOM 1815 CG2 ILE B 42 4.379 11.107 2.238 1.00 0.00 C ATOM 1816 CD1 ILE B 42 6.846 9.385 3.175 1.00 0.00 C ATOM 0 H ILE B 42 7.658 13.235 3.109 1.00 0.00 H new ATOM 0 HA ILE B 42 6.101 12.717 0.715 1.00 0.00 H new ATOM 0 HB ILE B 42 5.841 11.822 3.617 1.00 0.00 H new ATOM 0 HG12 ILE B 42 6.627 10.167 1.203 1.00 0.00 H new ATOM 0 HG13 ILE B 42 7.811 11.009 2.184 1.00 0.00 H new ATOM 0 HG21 ILE B 42 4.196 10.183 2.786 1.00 0.00 H new ATOM 0 HG22 ILE B 42 3.647 11.857 2.537 1.00 0.00 H new ATOM 0 HG23 ILE B 42 4.289 10.918 1.168 1.00 0.00 H new ATOM 0 HD11 ILE B 42 7.609 8.670 2.868 1.00 0.00 H new ATOM 0 HD12 ILE B 42 7.073 9.751 4.176 1.00 0.00 H new ATOM 0 HD13 ILE B 42 5.872 8.897 3.180 1.00 0.00 H new ATOM 1828 N ILE B 43 4.166 14.268 1.087 1.00 0.00 N ATOM 1829 CA ILE B 43 3.024 15.141 1.308 1.00 0.00 C ATOM 1830 C ILE B 43 1.744 14.448 0.873 1.00 0.00 C ATOM 1831 O ILE B 43 1.623 14.026 -0.278 1.00 0.00 O ATOM 1832 CB ILE B 43 3.130 16.489 0.550 1.00 0.00 C ATOM 1833 CG1 ILE B 43 4.463 17.185 0.818 1.00 0.00 C ATOM 1834 CG2 ILE B 43 1.983 17.408 0.943 1.00 0.00 C ATOM 1835 CD1 ILE B 43 5.580 16.732 -0.091 1.00 0.00 C ATOM 0 H ILE B 43 4.286 13.957 0.123 1.00 0.00 H new ATOM 0 HA ILE B 43 3.011 15.356 2.376 1.00 0.00 H new ATOM 0 HB ILE B 43 3.072 16.269 -0.516 1.00 0.00 H new ATOM 0 HG12 ILE B 43 4.330 18.261 0.706 1.00 0.00 H new ATOM 0 HG13 ILE B 43 4.754 17.006 1.853 1.00 0.00 H new ATOM 0 HG21 ILE B 43 2.071 18.351 0.403 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.034 16.933 0.693 1.00 0.00 H new ATOM 0 HG23 ILE B 43 2.021 17.599 2.015 1.00 0.00 H new ATOM 0 HD11 ILE B 43 6.494 17.270 0.160 1.00 0.00 H new ATOM 0 HD12 ILE B 43 5.742 15.662 0.038 1.00 0.00 H new ATOM 0 HD13 ILE B 43 5.311 16.936 -1.127 1.00 0.00 H new ATOM 1847 N LEU B 44 0.805 14.304 1.801 1.00 0.00 N ATOM 1848 CA LEU B 44 -0.515 13.793 1.476 1.00 0.00 C ATOM 1849 C LEU B 44 -1.156 14.702 0.422 1.00 0.00 C ATOM 1850 O LEU B 44 -1.045 15.927 0.504 1.00 0.00 O ATOM 1851 CB LEU B 44 -1.376 13.735 2.746 1.00 0.00 C ATOM 1852 CG LEU B 44 -2.407 12.602 2.812 1.00 0.00 C ATOM 1853 CD1 LEU B 44 -3.030 12.544 4.197 1.00 0.00 C ATOM 1854 CD2 LEU B 44 -3.492 12.777 1.762 1.00 0.00 C ATOM 0 H LEU B 44 0.937 14.535 2.786 1.00 0.00 H new ATOM 0 HA LEU B 44 -0.437 12.784 1.072 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -0.713 13.645 3.606 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -1.903 14.684 2.847 1.00 0.00 H new ATOM 0 HG LEU B 44 -1.889 11.665 2.608 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -3.761 11.736 4.234 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -2.252 12.363 4.939 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -3.525 13.491 4.413 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.206 11.957 1.837 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -4.008 13.723 1.926 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -3.041 12.777 0.770 1.00 0.00 H new ATOM 1866 N ARG B 45 -1.823 14.094 -0.553 1.00 0.00 N ATOM 1867 CA ARG B 45 -2.403 14.817 -1.689 1.00 0.00 C ATOM 1868 C ARG B 45 -3.373 15.920 -1.268 1.00 0.00 C ATOM 1869 O ARG B 45 -3.679 16.810 -2.060 1.00 0.00 O ATOM 1870 CB ARG B 45 -3.129 13.835 -2.602 1.00 0.00 C ATOM 1871 CG ARG B 45 -2.249 13.217 -3.672 1.00 0.00 C ATOM 1872 CD ARG B 45 -2.513 13.844 -5.029 1.00 0.00 C ATOM 1873 NE ARG B 45 -3.924 13.748 -5.404 1.00 0.00 N ATOM 1874 CZ ARG B 45 -4.398 12.914 -6.328 1.00 0.00 C ATOM 1875 NH1 ARG B 45 -3.583 12.062 -6.942 1.00 0.00 N ATOM 1876 NH2 ARG B 45 -5.693 12.919 -6.623 1.00 0.00 N ATOM 0 H ARG B 45 -1.979 13.086 -0.582 1.00 0.00 H new ATOM 0 HA ARG B 45 -1.576 15.297 -2.211 1.00 0.00 H new ATOM 0 HB2 ARG B 45 -3.557 13.038 -1.994 1.00 0.00 H new ATOM 0 HB3 ARG B 45 -3.961 14.350 -3.083 1.00 0.00 H new ATOM 0 HG2 ARG B 45 -1.200 13.349 -3.405 1.00 0.00 H new ATOM 0 HG3 ARG B 45 -2.432 12.144 -3.722 1.00 0.00 H new ATOM 0 HD2 ARG B 45 -2.212 14.891 -5.011 1.00 0.00 H new ATOM 0 HD3 ARG B 45 -1.901 13.349 -5.784 1.00 0.00 H new ATOM 0 HE ARG B 45 -4.587 14.359 -4.927 1.00 0.00 H new ATOM 0 HH11 ARG B 45 -2.591 12.045 -6.706 1.00 0.00 H new ATOM 0 HH12 ARG B 45 -3.950 11.425 -7.649 1.00 0.00 H new ATOM 0 HH21 ARG B 45 -6.323 13.561 -6.142 1.00 0.00 H new ATOM 0 HH22 ARG B 45 -6.057 12.281 -7.330 1.00 0.00 H new ATOM 1890 N GLU B 46 -3.837 15.881 -0.028 1.00 0.00 N ATOM 1891 CA GLU B 46 -4.866 16.811 0.417 1.00 0.00 C ATOM 1892 C GLU B 46 -4.308 18.215 0.638 1.00 0.00 C ATOM 1893 O GLU B 46 -5.025 19.202 0.481 1.00 0.00 O ATOM 1894 CB GLU B 46 -5.541 16.294 1.685 1.00 0.00 C ATOM 1895 CG GLU B 46 -6.279 14.981 1.475 1.00 0.00 C ATOM 1896 CD GLU B 46 -7.317 15.066 0.371 1.00 0.00 C ATOM 1897 OE1 GLU B 46 -6.955 14.893 -0.811 1.00 0.00 O ATOM 1898 OE2 GLU B 46 -8.500 15.312 0.678 1.00 0.00 O ATOM 0 H GLU B 46 -3.521 15.222 0.683 1.00 0.00 H new ATOM 0 HA GLU B 46 -5.611 16.879 -0.376 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -4.788 16.160 2.462 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -6.243 17.045 2.048 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -5.560 14.199 1.233 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -6.766 14.689 2.405 1.00 0.00 H new ATOM 1905 N ASN B 47 -3.030 18.309 0.980 1.00 0.00 N ATOM 1906 CA ASN B 47 -2.402 19.610 1.195 1.00 0.00 C ATOM 1907 C ASN B 47 -1.158 19.723 0.323 1.00 0.00 C ATOM 1908 O ASN B 47 -0.238 20.496 0.600 1.00 0.00 O ATOM 1909 CB ASN B 47 -2.044 19.802 2.673 1.00 0.00 C ATOM 1910 CG ASN B 47 -2.060 21.265 3.091 1.00 0.00 C ATOM 1911 OD1 ASN B 47 -0.933 21.942 2.951 1.00 0.00 O flip ATOM 1912 ND2 ASN B 47 -3.082 21.781 3.539 1.00 0.00 N flip ATOM 0 H ASN B 47 -2.411 17.509 1.114 1.00 0.00 H new ATOM 0 HA ASN B 47 -3.106 20.395 0.917 1.00 0.00 H new ATOM 0 HB2 ASN B 47 -2.748 19.244 3.290 1.00 0.00 H new ATOM 0 HB3 ASN B 47 -1.055 19.384 2.861 1.00 0.00 H new ATOM 0 HD21 ASN B 47 -3.934 21.228 3.633 1.00 0.00 H new ATOM 0 HD22 ASN B 47 -3.078 22.762 3.817 1.00 0.00 H new ATOM 1919 N LEU B 48 -1.156 18.947 -0.750 1.00 0.00 N ATOM 1920 CA LEU B 48 -0.037 18.909 -1.677 1.00 0.00 C ATOM 1921 C LEU B 48 0.085 20.214 -2.448 1.00 0.00 C ATOM 1922 O LEU B 48 1.183 20.757 -2.601 1.00 0.00 O ATOM 1923 CB LEU B 48 -0.217 17.761 -2.664 1.00 0.00 C ATOM 1924 CG LEU B 48 0.846 17.688 -3.756 1.00 0.00 C ATOM 1925 CD1 LEU B 48 2.158 17.178 -3.184 1.00 0.00 C ATOM 1926 CD2 LEU B 48 0.366 16.821 -4.905 1.00 0.00 C ATOM 0 H LEU B 48 -1.927 18.328 -1.002 1.00 0.00 H new ATOM 0 HA LEU B 48 0.873 18.761 -1.095 1.00 0.00 H new ATOM 0 HB2 LEU B 48 -0.217 16.821 -2.112 1.00 0.00 H new ATOM 0 HB3 LEU B 48 -1.196 17.854 -3.134 1.00 0.00 H new ATOM 0 HG LEU B 48 1.021 18.690 -4.147 1.00 0.00 H new ATOM 0 HD11 LEU B 48 2.906 17.132 -3.975 1.00 0.00 H new ATOM 0 HD12 LEU B 48 2.500 17.854 -2.400 1.00 0.00 H new ATOM 0 HD13 LEU B 48 2.010 16.182 -2.766 1.00 0.00 H new ATOM 0 HD21 LEU B 48 1.136 16.779 -5.676 1.00 0.00 H new ATOM 0 HD22 LEU B 48 0.162 15.814 -4.541 1.00 0.00 H new ATOM 0 HD23 LEU B 48 -0.545 17.246 -5.325 1.00 0.00 H new ATOM 1938 N GLU B 49 -1.054 20.702 -2.931 1.00 0.00 N ATOM 1939 CA GLU B 49 -1.107 21.910 -3.742 1.00 0.00 C ATOM 1940 C GLU B 49 -0.403 23.069 -3.047 1.00 0.00 C ATOM 1941 O GLU B 49 0.400 23.777 -3.656 1.00 0.00 O ATOM 1942 CB GLU B 49 -2.571 22.259 -4.040 1.00 0.00 C ATOM 1943 CG GLU B 49 -2.769 23.594 -4.738 1.00 0.00 C ATOM 1944 CD GLU B 49 -3.434 24.622 -3.844 1.00 0.00 C ATOM 1945 OE1 GLU B 49 -4.684 24.680 -3.825 1.00 0.00 O ATOM 1946 OE2 GLU B 49 -2.717 25.382 -3.159 1.00 0.00 O ATOM 0 H GLU B 49 -1.964 20.270 -2.770 1.00 0.00 H new ATOM 0 HA GLU B 49 -0.584 21.728 -4.681 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -3.000 21.472 -4.660 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -3.128 22.267 -3.103 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -1.803 23.975 -5.068 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -3.376 23.447 -5.631 1.00 0.00 H new ATOM 1953 N ARG B 50 -0.685 23.241 -1.766 1.00 0.00 N ATOM 1954 CA ARG B 50 -0.095 24.323 -1.002 1.00 0.00 C ATOM 1955 C ARG B 50 1.402 24.109 -0.803 1.00 0.00 C ATOM 1956 O ARG B 50 2.194 25.039 -0.958 1.00 0.00 O ATOM 1957 CB ARG B 50 -0.784 24.464 0.355 1.00 0.00 C ATOM 1958 CG ARG B 50 -0.344 25.702 1.111 1.00 0.00 C ATOM 1959 CD ARG B 50 -0.630 26.953 0.301 1.00 0.00 C ATOM 1960 NE ARG B 50 -0.063 28.148 0.907 1.00 0.00 N ATOM 1961 CZ ARG B 50 -0.666 29.334 0.912 1.00 0.00 C ATOM 1962 NH1 ARG B 50 -1.850 29.484 0.325 1.00 0.00 N ATOM 1963 NH2 ARG B 50 -0.077 30.372 1.493 1.00 0.00 N ATOM 0 H ARG B 50 -1.319 22.644 -1.235 1.00 0.00 H new ATOM 0 HA ARG B 50 -0.238 25.242 -1.571 1.00 0.00 H new ATOM 0 HB2 ARG B 50 -1.863 24.498 0.208 1.00 0.00 H new ATOM 0 HB3 ARG B 50 -0.573 23.581 0.958 1.00 0.00 H new ATOM 0 HG2 ARG B 50 -0.864 25.755 2.067 1.00 0.00 H new ATOM 0 HG3 ARG B 50 0.722 25.641 1.331 1.00 0.00 H new ATOM 0 HD2 ARG B 50 -0.226 26.832 -0.704 1.00 0.00 H new ATOM 0 HD3 ARG B 50 -1.708 27.078 0.198 1.00 0.00 H new ATOM 0 HE ARG B 50 0.851 28.072 1.354 1.00 0.00 H new ATOM 0 HH11 ARG B 50 -2.298 28.689 -0.130 1.00 0.00 H new ATOM 0 HH12 ARG B 50 -2.310 30.394 0.330 1.00 0.00 H new ATOM 0 HH21 ARG B 50 0.836 30.259 1.934 1.00 0.00 H new ATOM 0 HH22 ARG B 50 -0.537 31.282 1.498 1.00 0.00 H new ATOM 1977 N TYR B 51 1.791 22.880 -0.482 1.00 0.00 N ATOM 1978 CA TYR B 51 3.184 22.585 -0.174 1.00 0.00 C ATOM 1979 C TYR B 51 4.064 22.762 -1.410 1.00 0.00 C ATOM 1980 O TYR B 51 5.121 23.384 -1.340 1.00 0.00 O ATOM 1981 CB TYR B 51 3.334 21.169 0.386 1.00 0.00 C ATOM 1982 CG TYR B 51 4.675 20.923 1.048 1.00 0.00 C ATOM 1983 CD1 TYR B 51 4.867 21.218 2.392 1.00 0.00 C ATOM 1984 CD2 TYR B 51 5.749 20.407 0.331 1.00 0.00 C ATOM 1985 CE1 TYR B 51 6.087 21.005 3.004 1.00 0.00 C ATOM 1986 CE2 TYR B 51 6.973 20.189 0.938 1.00 0.00 C ATOM 1987 CZ TYR B 51 7.136 20.491 2.275 1.00 0.00 C ATOM 1988 OH TYR B 51 8.353 20.278 2.884 1.00 0.00 O ATOM 0 H TYR B 51 1.165 22.077 -0.429 1.00 0.00 H new ATOM 0 HA TYR B 51 3.512 23.292 0.588 1.00 0.00 H new ATOM 0 HB2 TYR B 51 2.540 20.987 1.111 1.00 0.00 H new ATOM 0 HB3 TYR B 51 3.199 20.450 -0.422 1.00 0.00 H new ATOM 0 HD1 TYR B 51 4.048 21.621 2.969 1.00 0.00 H new ATOM 0 HD2 TYR B 51 5.626 20.173 -0.716 1.00 0.00 H new ATOM 0 HE1 TYR B 51 6.217 21.241 4.050 1.00 0.00 H new ATOM 0 HE2 TYR B 51 7.797 19.785 0.369 1.00 0.00 H new ATOM 0 HH TYR B 51 8.985 19.911 2.232 1.00 0.00 H new ATOM 1998 N LEU B 52 3.620 22.230 -2.543 1.00 0.00 N ATOM 1999 CA LEU B 52 4.379 22.350 -3.782 1.00 0.00 C ATOM 2000 C LEU B 52 4.421 23.794 -4.260 1.00 0.00 C ATOM 2001 O LEU B 52 5.386 24.216 -4.889 1.00 0.00 O ATOM 2002 CB LEU B 52 3.802 21.450 -4.876 1.00 0.00 C ATOM 2003 CG LEU B 52 4.110 19.962 -4.718 1.00 0.00 C ATOM 2004 CD1 LEU B 52 3.560 19.179 -5.900 1.00 0.00 C ATOM 2005 CD2 LEU B 52 5.611 19.748 -4.587 1.00 0.00 C ATOM 0 H LEU B 52 2.744 21.715 -2.629 1.00 0.00 H new ATOM 0 HA LEU B 52 5.398 22.024 -3.572 1.00 0.00 H new ATOM 0 HB2 LEU B 52 2.720 21.581 -4.900 1.00 0.00 H new ATOM 0 HB3 LEU B 52 4.185 21.784 -5.840 1.00 0.00 H new ATOM 0 HG LEU B 52 3.627 19.598 -3.811 1.00 0.00 H new ATOM 0 HD11 LEU B 52 3.787 18.121 -5.773 1.00 0.00 H new ATOM 0 HD12 LEU B 52 2.480 19.314 -5.955 1.00 0.00 H new ATOM 0 HD13 LEU B 52 4.018 19.540 -6.821 1.00 0.00 H new ATOM 0 HD21 LEU B 52 5.818 18.684 -4.475 1.00 0.00 H new ATOM 0 HD22 LEU B 52 6.111 20.123 -5.480 1.00 0.00 H new ATOM 0 HD23 LEU B 52 5.980 20.284 -3.712 1.00 0.00 H new ATOM 2017 N ARG B 53 3.380 24.549 -3.947 1.00 0.00 N ATOM 2018 CA ARG B 53 3.328 25.956 -4.307 1.00 0.00 C ATOM 2019 C ARG B 53 4.445 26.729 -3.609 1.00 0.00 C ATOM 2020 O ARG B 53 5.091 27.591 -4.209 1.00 0.00 O ATOM 2021 CB ARG B 53 1.980 26.560 -3.915 1.00 0.00 C ATOM 2022 CG ARG B 53 1.814 28.002 -4.360 1.00 0.00 C ATOM 2023 CD ARG B 53 0.648 28.680 -3.663 1.00 0.00 C ATOM 2024 NE ARG B 53 -0.595 27.921 -3.792 1.00 0.00 N ATOM 2025 CZ ARG B 53 -1.668 28.353 -4.457 1.00 0.00 C ATOM 2026 NH1 ARG B 53 -1.641 29.510 -5.105 1.00 0.00 N ATOM 2027 NH2 ARG B 53 -2.765 27.620 -4.478 1.00 0.00 N ATOM 0 H ARG B 53 2.560 24.210 -3.444 1.00 0.00 H new ATOM 0 HA ARG B 53 3.457 26.031 -5.387 1.00 0.00 H new ATOM 0 HB2 ARG B 53 1.181 25.959 -4.349 1.00 0.00 H new ATOM 0 HB3 ARG B 53 1.867 26.506 -2.832 1.00 0.00 H new ATOM 0 HG2 ARG B 53 2.731 28.554 -4.153 1.00 0.00 H new ATOM 0 HG3 ARG B 53 1.660 28.033 -5.439 1.00 0.00 H new ATOM 0 HD2 ARG B 53 0.884 28.808 -2.607 1.00 0.00 H new ATOM 0 HD3 ARG B 53 0.507 29.677 -4.082 1.00 0.00 H new ATOM 0 HE ARG B 53 -0.645 27.005 -3.346 1.00 0.00 H new ATOM 0 HH11 ARG B 53 -0.794 30.079 -5.098 1.00 0.00 H new ATOM 0 HH12 ARG B 53 -2.467 29.831 -5.610 1.00 0.00 H new ATOM 0 HH21 ARG B 53 -2.791 26.726 -3.987 1.00 0.00 H new ATOM 0 HH22 ARG B 53 -3.587 27.947 -4.985 1.00 0.00 H new ATOM 2041 N GLU B 54 4.666 26.416 -2.340 1.00 0.00 N ATOM 2042 CA GLU B 54 5.604 27.174 -1.530 1.00 0.00 C ATOM 2043 C GLU B 54 7.005 26.559 -1.526 1.00 0.00 C ATOM 2044 O GLU B 54 7.988 27.276 -1.330 1.00 0.00 O ATOM 2045 CB GLU B 54 5.075 27.325 -0.103 1.00 0.00 C ATOM 2046 CG GLU B 54 3.747 28.064 -0.035 1.00 0.00 C ATOM 2047 CD GLU B 54 3.396 28.535 1.362 1.00 0.00 C ATOM 2048 OE1 GLU B 54 4.127 29.396 1.897 1.00 0.00 O ATOM 2049 OE2 GLU B 54 2.369 28.084 1.912 1.00 0.00 O ATOM 0 H GLU B 54 4.210 25.645 -1.852 1.00 0.00 H new ATOM 0 HA GLU B 54 5.695 28.161 -1.983 1.00 0.00 H new ATOM 0 HB2 GLU B 54 4.957 26.337 0.341 1.00 0.00 H new ATOM 0 HB3 GLU B 54 5.812 27.858 0.497 1.00 0.00 H new ATOM 0 HG2 GLU B 54 3.783 28.925 -0.703 1.00 0.00 H new ATOM 0 HG3 GLU B 54 2.955 27.410 -0.400 1.00 0.00 H new ATOM 2056 N GLN B 55 7.119 25.252 -1.751 1.00 0.00 N ATOM 2057 CA GLN B 55 8.427 24.620 -1.732 1.00 0.00 C ATOM 2058 C GLN B 55 8.935 24.353 -3.144 1.00 0.00 C ATOM 2059 O GLN B 55 9.858 25.033 -3.597 1.00 0.00 O ATOM 2060 CB GLN B 55 8.362 23.310 -0.927 1.00 0.00 C ATOM 2061 CG GLN B 55 9.561 22.382 -1.116 1.00 0.00 C ATOM 2062 CD GLN B 55 10.869 22.959 -0.607 1.00 0.00 C ATOM 2063 OE1 GLN B 55 11.072 24.173 -0.585 1.00 0.00 O ATOM 2064 NE2 GLN B 55 11.781 22.086 -0.220 1.00 0.00 N ATOM 0 H GLN B 55 6.338 24.625 -1.944 1.00 0.00 H new ATOM 0 HA GLN B 55 9.129 25.302 -1.252 1.00 0.00 H new ATOM 0 HB2 GLN B 55 8.273 23.554 0.131 1.00 0.00 H new ATOM 0 HB3 GLN B 55 7.456 22.772 -1.207 1.00 0.00 H new ATOM 0 HG2 GLN B 55 9.365 21.441 -0.601 1.00 0.00 H new ATOM 0 HG3 GLN B 55 9.665 22.150 -2.176 1.00 0.00 H new ATOM 0 HE21 GLN B 55 11.577 21.087 -0.252 1.00 0.00 H new ATOM 0 HE22 GLN B 55 12.690 22.411 0.111 1.00 0.00 H new ATOM 2073 N LEU B 56 8.276 23.431 -3.860 1.00 0.00 N ATOM 2074 CA LEU B 56 8.723 22.999 -5.194 1.00 0.00 C ATOM 2075 C LEU B 56 10.252 22.855 -5.206 1.00 0.00 C ATOM 2076 O LEU B 56 10.930 23.224 -6.168 1.00 0.00 O ATOM 2077 CB LEU B 56 8.247 24.013 -6.244 1.00 0.00 C ATOM 2078 CG LEU B 56 7.873 23.436 -7.615 1.00 0.00 C ATOM 2079 CD1 LEU B 56 6.809 24.297 -8.274 1.00 0.00 C ATOM 2080 CD2 LEU B 56 9.090 23.341 -8.525 1.00 0.00 C ATOM 0 H LEU B 56 7.427 22.967 -3.536 1.00 0.00 H new ATOM 0 HA LEU B 56 8.292 22.028 -5.436 1.00 0.00 H new ATOM 0 HB2 LEU B 56 7.380 24.540 -5.845 1.00 0.00 H new ATOM 0 HB3 LEU B 56 9.033 24.755 -6.386 1.00 0.00 H new ATOM 0 HG LEU B 56 7.482 22.431 -7.458 1.00 0.00 H new ATOM 0 HD11 LEU B 56 6.552 23.877 -9.246 1.00 0.00 H new ATOM 0 HD12 LEU B 56 5.920 24.323 -7.644 1.00 0.00 H new ATOM 0 HD13 LEU B 56 7.190 25.310 -8.405 1.00 0.00 H new ATOM 0 HD21 LEU B 56 8.792 22.928 -9.489 1.00 0.00 H new ATOM 0 HD22 LEU B 56 9.514 24.335 -8.671 1.00 0.00 H new ATOM 0 HD23 LEU B 56 9.837 22.692 -8.068 1.00 0.00 H new ATOM 2092 N GLY B 57 10.784 22.315 -4.117 1.00 0.00 N ATOM 2093 CA GLY B 57 12.216 22.346 -3.895 1.00 0.00 C ATOM 2094 C GLY B 57 12.920 21.035 -4.173 1.00 0.00 C ATOM 2095 O GLY B 57 14.064 21.042 -4.631 1.00 0.00 O ATOM 0 H GLY B 57 10.247 21.855 -3.382 1.00 0.00 H new ATOM 0 HA2 GLY B 57 12.653 23.120 -4.526 1.00 0.00 H new ATOM 0 HA3 GLY B 57 12.405 22.634 -2.861 1.00 0.00 H new ATOM 2099 N PHE B 58 12.244 19.916 -3.899 1.00 0.00 N ATOM 2100 CA PHE B 58 12.831 18.578 -4.066 1.00 0.00 C ATOM 2101 C PHE B 58 14.007 18.421 -3.102 1.00 0.00 C ATOM 2102 O PHE B 58 14.143 19.208 -2.162 1.00 0.00 O ATOM 2103 CB PHE B 58 13.294 18.347 -5.516 1.00 0.00 C ATOM 2104 CG PHE B 58 12.413 18.999 -6.547 1.00 0.00 C ATOM 2105 CD1 PHE B 58 11.040 18.815 -6.530 1.00 0.00 C ATOM 2106 CD2 PHE B 58 12.964 19.820 -7.518 1.00 0.00 C ATOM 2107 CE1 PHE B 58 10.236 19.433 -7.465 1.00 0.00 C ATOM 2108 CE2 PHE B 58 12.164 20.444 -8.453 1.00 0.00 C ATOM 2109 CZ PHE B 58 10.798 20.250 -8.427 1.00 0.00 C ATOM 0 H PHE B 58 11.283 19.908 -3.558 1.00 0.00 H new ATOM 0 HA PHE B 58 12.069 17.832 -3.841 1.00 0.00 H new ATOM 0 HB2 PHE B 58 14.310 18.726 -5.628 1.00 0.00 H new ATOM 0 HB3 PHE B 58 13.331 17.275 -5.709 1.00 0.00 H new ATOM 0 HD1 PHE B 58 10.595 18.181 -5.777 1.00 0.00 H new ATOM 0 HD2 PHE B 58 14.033 19.973 -7.543 1.00 0.00 H new ATOM 0 HE1 PHE B 58 9.167 19.278 -7.445 1.00 0.00 H new ATOM 0 HE2 PHE B 58 12.606 21.083 -9.203 1.00 0.00 H new ATOM 0 HZ PHE B 58 10.169 20.736 -9.158 1.00 0.00 H new ATOM 2119 N GLU B 59 14.853 17.412 -3.297 1.00 0.00 N ATOM 2120 CA GLU B 59 16.043 17.310 -2.473 1.00 0.00 C ATOM 2121 C GLU B 59 17.283 17.470 -3.341 1.00 0.00 C ATOM 2122 O GLU B 59 17.690 16.551 -4.051 1.00 0.00 O ATOM 2123 CB GLU B 59 16.058 15.987 -1.706 1.00 0.00 C ATOM 2124 CG GLU B 59 17.232 15.850 -0.750 1.00 0.00 C ATOM 2125 CD GLU B 59 17.287 16.970 0.274 1.00 0.00 C ATOM 2126 OE1 GLU B 59 17.931 18.003 -0.004 1.00 0.00 O ATOM 2127 OE2 GLU B 59 16.702 16.819 1.363 1.00 0.00 O ATOM 0 H GLU B 59 14.739 16.678 -3.996 1.00 0.00 H new ATOM 0 HA GLU B 59 16.038 18.111 -1.734 1.00 0.00 H new ATOM 0 HB2 GLU B 59 15.129 15.893 -1.143 1.00 0.00 H new ATOM 0 HB3 GLU B 59 16.083 15.163 -2.420 1.00 0.00 H new ATOM 0 HG2 GLU B 59 17.164 14.893 -0.233 1.00 0.00 H new ATOM 0 HG3 GLU B 59 18.161 15.839 -1.321 1.00 0.00 H new ATOM 2134 N PHE B 60 17.869 18.654 -3.283 1.00 0.00 N ATOM 2135 CA PHE B 60 18.982 19.005 -4.144 1.00 0.00 C ATOM 2136 C PHE B 60 20.291 18.904 -3.374 1.00 0.00 C ATOM 2137 O PHE B 60 20.460 19.540 -2.333 1.00 0.00 O ATOM 2138 CB PHE B 60 18.793 20.425 -4.682 1.00 0.00 C ATOM 2139 CG PHE B 60 19.173 20.578 -6.123 1.00 0.00 C ATOM 2140 CD1 PHE B 60 20.470 20.900 -6.488 1.00 0.00 C ATOM 2141 CD2 PHE B 60 18.225 20.396 -7.116 1.00 0.00 C ATOM 2142 CE1 PHE B 60 20.812 21.039 -7.820 1.00 0.00 C ATOM 2143 CE2 PHE B 60 18.560 20.533 -8.446 1.00 0.00 C ATOM 2144 CZ PHE B 60 19.855 20.855 -8.800 1.00 0.00 C ATOM 0 H PHE B 60 17.587 19.395 -2.641 1.00 0.00 H new ATOM 0 HA PHE B 60 19.017 18.310 -4.983 1.00 0.00 H new ATOM 0 HB2 PHE B 60 17.750 20.715 -4.558 1.00 0.00 H new ATOM 0 HB3 PHE B 60 19.389 21.113 -4.083 1.00 0.00 H new ATOM 0 HD1 PHE B 60 21.221 21.044 -5.725 1.00 0.00 H new ATOM 0 HD2 PHE B 60 17.211 20.144 -6.845 1.00 0.00 H new ATOM 0 HE1 PHE B 60 21.826 21.291 -8.095 1.00 0.00 H new ATOM 0 HE2 PHE B 60 17.811 20.389 -9.210 1.00 0.00 H new ATOM 0 HZ PHE B 60 20.120 20.963 -9.841 1.00 0.00 H new ATOM 2154 N LYS B 61 21.211 18.105 -3.881 1.00 0.00 N ATOM 2155 CA LYS B 61 22.488 17.904 -3.219 1.00 0.00 C ATOM 2156 C LYS B 61 23.633 18.173 -4.185 1.00 0.00 C ATOM 2157 O LYS B 61 23.414 18.459 -5.363 1.00 0.00 O ATOM 2158 CB LYS B 61 22.602 16.470 -2.687 1.00 0.00 C ATOM 2159 CG LYS B 61 21.517 16.067 -1.699 1.00 0.00 C ATOM 2160 CD LYS B 61 21.619 16.835 -0.392 1.00 0.00 C ATOM 2161 CE LYS B 61 20.654 16.278 0.641 1.00 0.00 C ATOM 2162 NZ LYS B 61 20.681 17.046 1.912 1.00 0.00 N ATOM 0 H LYS B 61 21.098 17.584 -4.750 1.00 0.00 H new ATOM 0 HA LYS B 61 22.547 18.601 -2.383 1.00 0.00 H new ATOM 0 HB2 LYS B 61 22.578 15.781 -3.532 1.00 0.00 H new ATOM 0 HB3 LYS B 61 23.573 16.352 -2.206 1.00 0.00 H new ATOM 0 HG2 LYS B 61 20.538 16.241 -2.146 1.00 0.00 H new ATOM 0 HG3 LYS B 61 21.590 14.998 -1.497 1.00 0.00 H new ATOM 0 HD2 LYS B 61 22.639 16.778 -0.011 1.00 0.00 H new ATOM 0 HD3 LYS B 61 21.402 17.889 -0.567 1.00 0.00 H new ATOM 0 HE2 LYS B 61 19.643 16.290 0.234 1.00 0.00 H new ATOM 0 HE3 LYS B 61 20.904 15.236 0.843 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 20.007 16.628 2.584 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 21.638 17.014 2.317 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 20.417 18.035 1.726 1.00 0.00 H new ATOM 2176 N ASN B 62 24.844 18.083 -3.667 1.00 0.00 N ATOM 2177 CA ASN B 62 26.055 18.172 -4.463 1.00 0.00 C ATOM 2178 C ASN B 62 27.220 17.693 -3.612 1.00 0.00 C ATOM 2179 O ASN B 62 27.054 17.475 -2.411 1.00 0.00 O ATOM 2180 CB ASN B 62 26.309 19.602 -4.973 1.00 0.00 C ATOM 2181 CG ASN B 62 26.596 20.600 -3.865 1.00 0.00 C ATOM 2182 OD1 ASN B 62 26.035 20.525 -2.774 1.00 0.00 O ATOM 2183 ND2 ASN B 62 27.478 21.550 -4.142 1.00 0.00 N ATOM 0 H ASN B 62 25.017 17.945 -2.671 1.00 0.00 H new ATOM 0 HA ASN B 62 25.944 17.543 -5.347 1.00 0.00 H new ATOM 0 HB2 ASN B 62 27.151 19.588 -5.665 1.00 0.00 H new ATOM 0 HB3 ASN B 62 25.439 19.938 -5.537 1.00 0.00 H new ATOM 0 HD21 ASN B 62 27.711 22.250 -3.438 1.00 0.00 H new ATOM 0 HD22 ASN B 62 27.924 21.580 -5.059 1.00 0.00 H new ATOM 2190 N ALA B 63 28.383 17.523 -4.219 1.00 0.00 N ATOM 2191 CA ALA B 63 29.540 17.007 -3.499 1.00 0.00 C ATOM 2192 C ALA B 63 30.204 18.092 -2.660 1.00 0.00 C ATOM 2193 O ALA B 63 31.008 17.794 -1.777 1.00 0.00 O ATOM 2194 CB ALA B 63 30.540 16.403 -4.474 1.00 0.00 C ATOM 0 H ALA B 63 28.553 17.733 -5.203 1.00 0.00 H new ATOM 0 HA ALA B 63 29.192 16.229 -2.820 1.00 0.00 H new ATOM 0 HB1 ALA B 63 31.400 16.021 -3.923 1.00 0.00 H new ATOM 0 HB2 ALA B 63 30.068 15.587 -5.021 1.00 0.00 H new ATOM 0 HB3 ALA B 63 30.870 17.168 -5.177 1.00 0.00 H new ATOM 2200 N GLN B 64 29.865 19.354 -2.949 1.00 0.00 N ATOM 2201 CA GLN B 64 30.456 20.507 -2.257 1.00 0.00 C ATOM 2202 C GLN B 64 31.973 20.513 -2.427 1.00 0.00 C ATOM 2203 O GLN B 64 32.705 21.109 -1.632 1.00 0.00 O ATOM 2204 CB GLN B 64 30.101 20.488 -0.761 1.00 0.00 C ATOM 2205 CG GLN B 64 28.611 20.600 -0.461 1.00 0.00 C ATOM 2206 CD GLN B 64 28.029 21.966 -0.792 1.00 0.00 C ATOM 2207 OE1 GLN B 64 28.478 22.649 -1.715 1.00 0.00 O ATOM 2208 NE2 GLN B 64 27.023 22.379 -0.036 1.00 0.00 N ATOM 0 H GLN B 64 29.180 19.604 -3.662 1.00 0.00 H new ATOM 0 HA GLN B 64 30.044 21.413 -2.703 1.00 0.00 H new ATOM 0 HB2 GLN B 64 30.478 19.564 -0.323 1.00 0.00 H new ATOM 0 HB3 GLN B 64 30.620 21.309 -0.267 1.00 0.00 H new ATOM 0 HG2 GLN B 64 28.076 19.838 -1.028 1.00 0.00 H new ATOM 0 HG3 GLN B 64 28.444 20.388 0.595 1.00 0.00 H new ATOM 0 HE21 GLN B 64 26.677 21.788 0.720 1.00 0.00 H new ATOM 0 HE22 GLN B 64 26.595 23.288 -0.209 1.00 0.00 H new ATOM 2217 N LEU B 65 32.443 19.872 -3.491 1.00 0.00 N ATOM 2218 CA LEU B 65 33.867 19.672 -3.688 1.00 0.00 C ATOM 2219 C LEU B 65 34.513 20.900 -4.324 1.00 0.00 C ATOM 2220 O LEU B 65 34.972 20.865 -5.466 1.00 0.00 O ATOM 2221 CB LEU B 65 34.124 18.419 -4.536 1.00 0.00 C ATOM 2222 CG LEU B 65 35.596 18.009 -4.671 1.00 0.00 C ATOM 2223 CD1 LEU B 65 36.208 17.744 -3.302 1.00 0.00 C ATOM 2224 CD2 LEU B 65 35.726 16.783 -5.561 1.00 0.00 C ATOM 0 H LEU B 65 31.856 19.483 -4.229 1.00 0.00 H new ATOM 0 HA LEU B 65 34.325 19.524 -2.710 1.00 0.00 H new ATOM 0 HB2 LEU B 65 33.571 17.587 -4.101 1.00 0.00 H new ATOM 0 HB3 LEU B 65 33.718 18.586 -5.534 1.00 0.00 H new ATOM 0 HG LEU B 65 36.141 18.832 -5.134 1.00 0.00 H new ATOM 0 HD11 LEU B 65 37.252 17.455 -3.420 1.00 0.00 H new ATOM 0 HD12 LEU B 65 36.148 18.648 -2.696 1.00 0.00 H new ATOM 0 HD13 LEU B 65 35.662 16.940 -2.809 1.00 0.00 H new ATOM 0 HD21 LEU B 65 36.777 16.505 -5.646 1.00 0.00 H new ATOM 0 HD22 LEU B 65 35.166 15.956 -5.125 1.00 0.00 H new ATOM 0 HD23 LEU B 65 35.329 17.008 -6.551 1.00 0.00 H new