USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 418 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: A 40 CYS SG : rot -157:sc= 1.45 USER MOD Set 1.2: A 43 CYS SG : rot -94:sc= -1.19 USER MOD Set 1.3: A 70 CYS SG : rot -80:sc= 0.606 USER MOD Set 1.4: A 73 CYS SG : rot -70:sc= -0.978 USER MOD Set 2.1: A 24 CYS SG : rot -135:sc= -2.48 USER MOD Set 2.2: A 27 CYS SG : rot 180:sc= -1.28 USER MOD Set 2.3: A 29 CYS SG : rot -99:sc= -1.11 USER MOD Set 2.4: A 48 CYS SG : rot -150:sc= 1.07 USER MOD Set 2.5: A 51 CYS SG : rot 114:sc= 1.53 USER MOD Single : A 25 ASN : amide:sc= -2.52! K(o=-2.5!,f=-1.2) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HE2:sc= -0.156 X(o=-0.16,f=-0.34) USER MOD Single : A 39 HIS : no HD1:sc= -2.92! K(o=-2.9!,f=-1.9) USER MOD Single : A 42 ASN : amide:sc= -18.6! C(o=-19!,f=-19!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -79:sc= 0.951 USER MOD Single : A 54 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-2) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 295 N ALA A 21 2.499 -12.348 -13.313 1.00 0.00 N ATOM 296 CA ALA A 21 3.477 -12.639 -12.273 1.00 0.00 C ATOM 297 C ALA A 21 3.485 -14.129 -11.936 1.00 0.00 C ATOM 298 O ALA A 21 3.047 -14.538 -10.860 1.00 0.00 O ATOM 299 CB ALA A 21 3.180 -11.820 -11.027 1.00 0.00 C ATOM 0 HA ALA A 21 4.464 -12.367 -12.647 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.918 -12.047 -10.258 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.224 -10.758 -11.270 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.184 -12.067 -10.658 1.00 0.00 H new ATOM 305 N PRO A 22 3.991 -14.957 -12.863 1.00 0.00 N ATOM 306 CA PRO A 22 4.065 -16.412 -12.679 1.00 0.00 C ATOM 307 C PRO A 22 5.121 -16.818 -11.660 1.00 0.00 C ATOM 308 O PRO A 22 5.140 -17.949 -11.175 1.00 0.00 O ATOM 309 CB PRO A 22 4.454 -16.918 -14.067 1.00 0.00 C ATOM 310 CG PRO A 22 5.196 -15.783 -14.683 1.00 0.00 C ATOM 311 CD PRO A 22 4.534 -14.537 -14.167 1.00 0.00 C ATOM 0 HA PRO A 22 3.129 -16.822 -12.299 1.00 0.00 H new ATOM 0 HB2 PRO A 22 5.076 -17.811 -14.004 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.574 -17.183 -14.654 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.250 -15.809 -14.408 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.149 -15.829 -15.771 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.245 -13.718 -14.062 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.747 -14.192 -14.838 1.00 0.00 H new ATOM 319 N ALA A 23 5.993 -15.873 -11.343 1.00 0.00 N ATOM 320 CA ALA A 23 7.058 -16.107 -10.378 1.00 0.00 C ATOM 321 C ALA A 23 7.181 -14.927 -9.425 1.00 0.00 C ATOM 322 O ALA A 23 6.759 -13.816 -9.744 1.00 0.00 O ATOM 323 CB ALA A 23 8.379 -16.351 -11.090 1.00 0.00 C ATOM 0 H ALA A 23 5.984 -14.934 -11.741 1.00 0.00 H new ATOM 0 HA ALA A 23 6.808 -16.996 -9.799 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.163 -16.524 -10.353 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.289 -17.225 -11.735 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.634 -15.479 -11.693 1.00 0.00 H new ATOM 329 N CYS A 24 7.744 -15.169 -8.247 1.00 0.00 N ATOM 330 CA CYS A 24 7.899 -14.122 -7.251 1.00 0.00 C ATOM 331 C CYS A 24 8.814 -13.011 -7.749 1.00 0.00 C ATOM 332 O CYS A 24 9.957 -13.253 -8.135 1.00 0.00 O ATOM 333 CB CYS A 24 8.449 -14.712 -5.957 1.00 0.00 C ATOM 334 SG CYS A 24 8.214 -13.653 -4.517 1.00 0.00 S ATOM 0 H CYS A 24 8.100 -16.081 -7.961 1.00 0.00 H new ATOM 0 HA CYS A 24 6.917 -13.688 -7.063 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.967 -15.672 -5.773 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.514 -14.909 -6.082 1.00 0.00 H new ATOM 0 HG CYS A 24 9.316 -13.605 -3.829 1.00 0.00 H new ATOM 340 N ASN A 25 8.300 -11.790 -7.721 1.00 0.00 N ATOM 341 CA ASN A 25 9.052 -10.622 -8.152 1.00 0.00 C ATOM 342 C ASN A 25 10.317 -10.438 -7.317 1.00 0.00 C ATOM 343 O ASN A 25 11.286 -9.829 -7.769 1.00 0.00 O ATOM 344 CB ASN A 25 8.176 -9.371 -8.062 1.00 0.00 C ATOM 345 CG ASN A 25 7.106 -9.339 -9.136 1.00 0.00 C ATOM 346 OD1 ASN A 25 7.380 -9.012 -10.290 1.00 0.00 O ATOM 347 ND2 ASN A 25 5.880 -9.683 -8.760 1.00 0.00 N ATOM 0 H ASN A 25 7.354 -11.582 -7.400 1.00 0.00 H new ATOM 0 HA ASN A 25 9.352 -10.777 -9.188 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.704 -9.331 -7.080 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.803 -8.484 -8.151 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.119 -9.683 -9.440 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.699 -9.947 -7.792 1.00 0.00 H new ATOM 354 N GLY A 26 10.290 -10.940 -6.085 1.00 0.00 N ATOM 355 CA GLY A 26 11.433 -10.784 -5.203 1.00 0.00 C ATOM 356 C GLY A 26 12.483 -11.875 -5.339 1.00 0.00 C ATOM 357 O GLY A 26 13.659 -11.577 -5.554 1.00 0.00 O ATOM 0 H GLY A 26 9.502 -11.449 -5.684 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.901 -9.820 -5.401 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.081 -10.762 -4.172 1.00 0.00 H new ATOM 361 N CYS A 27 12.079 -13.131 -5.177 1.00 0.00 N ATOM 362 CA CYS A 27 13.027 -14.243 -5.248 1.00 0.00 C ATOM 363 C CYS A 27 12.930 -15.022 -6.558 1.00 0.00 C ATOM 364 O CYS A 27 13.715 -15.941 -6.792 1.00 0.00 O ATOM 365 CB CYS A 27 12.818 -15.191 -4.066 1.00 0.00 C ATOM 366 SG CYS A 27 11.253 -16.094 -4.112 1.00 0.00 S ATOM 0 H CYS A 27 11.113 -13.405 -4.997 1.00 0.00 H new ATOM 0 HA CYS A 27 14.025 -13.808 -5.205 1.00 0.00 H new ATOM 0 HB2 CYS A 27 13.638 -15.908 -4.040 1.00 0.00 H new ATOM 0 HB3 CYS A 27 12.867 -14.617 -3.141 1.00 0.00 H new ATOM 0 HG CYS A 27 11.169 -16.870 -3.072 1.00 0.00 H new ATOM 372 N GLY A 28 11.990 -14.654 -7.419 1.00 0.00 N ATOM 373 CA GLY A 28 11.860 -15.338 -8.694 1.00 0.00 C ATOM 374 C GLY A 28 11.321 -16.752 -8.571 1.00 0.00 C ATOM 375 O GLY A 28 11.335 -17.506 -9.544 1.00 0.00 O ATOM 0 H GLY A 28 11.320 -13.901 -7.261 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.199 -14.761 -9.341 1.00 0.00 H new ATOM 0 HA3 GLY A 28 12.835 -15.370 -9.181 1.00 0.00 H new ATOM 379 N CYS A 29 10.838 -17.119 -7.388 1.00 0.00 N ATOM 380 CA CYS A 29 10.293 -18.457 -7.185 1.00 0.00 C ATOM 381 C CYS A 29 8.954 -18.593 -7.900 1.00 0.00 C ATOM 382 O CYS A 29 8.183 -17.638 -7.980 1.00 0.00 O ATOM 383 CB CYS A 29 10.134 -18.766 -5.697 1.00 0.00 C ATOM 384 SG CYS A 29 8.701 -17.981 -4.925 1.00 0.00 S ATOM 0 H CYS A 29 10.813 -16.517 -6.565 1.00 0.00 H new ATOM 0 HA CYS A 29 10.994 -19.177 -7.606 1.00 0.00 H new ATOM 0 HB2 CYS A 29 10.056 -19.846 -5.568 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.035 -18.447 -5.173 1.00 0.00 H new ATOM 0 HG CYS A 29 9.080 -16.906 -4.300 1.00 0.00 H new ATOM 390 N VAL A 30 8.696 -19.778 -8.443 1.00 0.00 N ATOM 391 CA VAL A 30 7.461 -20.022 -9.179 1.00 0.00 C ATOM 392 C VAL A 30 6.294 -20.337 -8.254 1.00 0.00 C ATOM 393 O VAL A 30 6.436 -21.077 -7.282 1.00 0.00 O ATOM 394 CB VAL A 30 7.604 -21.185 -10.174 1.00 0.00 C ATOM 395 CG1 VAL A 30 6.710 -20.961 -11.384 1.00 0.00 C ATOM 396 CG2 VAL A 30 9.055 -21.369 -10.590 1.00 0.00 C ATOM 0 H VAL A 30 9.322 -20.581 -8.388 1.00 0.00 H new ATOM 0 HA VAL A 30 7.260 -19.097 -9.719 1.00 0.00 H new ATOM 0 HB VAL A 30 7.284 -22.102 -9.680 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.823 -21.793 -12.079 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.671 -20.896 -11.062 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.995 -20.033 -11.880 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.129 -22.198 -11.294 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.416 -20.456 -11.064 1.00 0.00 H new ATOM 0 HG23 VAL A 30 9.661 -21.585 -9.710 1.00 0.00 H new ATOM 406 N PHE A 31 5.139 -19.775 -8.579 1.00 0.00 N ATOM 407 CA PHE A 31 3.932 -19.996 -7.795 1.00 0.00 C ATOM 408 C PHE A 31 3.241 -21.283 -8.231 1.00 0.00 C ATOM 409 O PHE A 31 3.095 -21.559 -9.422 1.00 0.00 O ATOM 410 CB PHE A 31 2.974 -18.815 -7.946 1.00 0.00 C ATOM 411 CG PHE A 31 3.529 -17.526 -7.419 1.00 0.00 C ATOM 412 CD1 PHE A 31 3.522 -17.259 -6.060 1.00 0.00 C ATOM 413 CD2 PHE A 31 4.060 -16.582 -8.282 1.00 0.00 C ATOM 414 CE1 PHE A 31 4.034 -16.072 -5.573 1.00 0.00 C ATOM 415 CE2 PHE A 31 4.573 -15.394 -7.800 1.00 0.00 C ATOM 416 CZ PHE A 31 4.560 -15.139 -6.443 1.00 0.00 C ATOM 0 H PHE A 31 5.012 -19.160 -9.383 1.00 0.00 H new ATOM 0 HA PHE A 31 4.217 -20.087 -6.747 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.726 -18.691 -9.000 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.044 -19.042 -7.424 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.112 -17.986 -5.374 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.073 -16.777 -9.344 1.00 0.00 H new ATOM 0 HE1 PHE A 31 4.023 -15.874 -4.511 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.984 -14.665 -8.483 1.00 0.00 H new ATOM 0 HZ PHE A 31 4.961 -14.211 -6.063 1.00 0.00 H new ATOM 426 N THR A 32 2.819 -22.059 -7.245 1.00 0.00 N ATOM 427 CA THR A 32 2.136 -23.320 -7.493 1.00 0.00 C ATOM 428 C THR A 32 0.824 -23.385 -6.724 1.00 0.00 C ATOM 429 O THR A 32 0.563 -22.561 -5.848 1.00 0.00 O ATOM 430 CB THR A 32 3.032 -24.498 -7.109 1.00 0.00 C ATOM 431 OG1 THR A 32 3.147 -24.603 -5.700 1.00 0.00 O ATOM 432 CG2 THR A 32 4.431 -24.397 -7.678 1.00 0.00 C ATOM 0 H THR A 32 2.939 -21.835 -6.257 1.00 0.00 H new ATOM 0 HA THR A 32 1.914 -23.381 -8.558 1.00 0.00 H new ATOM 0 HB THR A 32 2.548 -25.378 -7.532 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.723 -25.363 -5.475 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.014 -25.264 -7.367 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.380 -24.365 -8.766 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.908 -23.489 -7.311 1.00 0.00 H new ATOM 440 N THR A 33 0.002 -24.370 -7.060 1.00 0.00 N ATOM 441 CA THR A 33 -1.287 -24.551 -6.405 1.00 0.00 C ATOM 442 C THR A 33 -1.159 -24.441 -4.891 1.00 0.00 C ATOM 443 O THR A 33 -1.985 -23.799 -4.240 1.00 0.00 O ATOM 444 CB THR A 33 -1.875 -25.912 -6.777 1.00 0.00 C ATOM 445 OG1 THR A 33 -1.925 -26.067 -8.184 1.00 0.00 O ATOM 446 CG2 THR A 33 -3.272 -26.126 -6.242 1.00 0.00 C ATOM 0 H THR A 33 0.206 -25.058 -7.785 1.00 0.00 H new ATOM 0 HA THR A 33 -1.953 -23.759 -6.748 1.00 0.00 H new ATOM 0 HB THR A 33 -1.213 -26.648 -6.321 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.302 -26.944 -8.403 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.630 -27.111 -6.542 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.259 -26.061 -5.154 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.937 -25.361 -6.643 1.00 0.00 H new ATOM 454 N THR A 34 -0.131 -25.066 -4.326 1.00 0.00 N ATOM 455 CA THR A 34 0.071 -25.020 -2.882 1.00 0.00 C ATOM 456 C THR A 34 0.402 -23.602 -2.421 1.00 0.00 C ATOM 457 O THR A 34 -0.029 -23.182 -1.347 1.00 0.00 O ATOM 458 CB THR A 34 1.167 -25.994 -2.454 1.00 0.00 C ATOM 459 OG1 THR A 34 0.883 -27.302 -2.919 1.00 0.00 O ATOM 460 CG2 THR A 34 1.349 -26.071 -0.953 1.00 0.00 C ATOM 0 H THR A 34 0.568 -25.604 -4.839 1.00 0.00 H new ATOM 0 HA THR A 34 -0.861 -25.323 -2.405 1.00 0.00 H new ATOM 0 HB THR A 34 2.086 -25.607 -2.895 1.00 0.00 H new ATOM 0 HG1 THR A 34 1.597 -27.912 -2.637 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.142 -26.781 -0.719 1.00 0.00 H new ATOM 0 HG22 THR A 34 1.617 -25.087 -0.568 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.419 -26.401 -0.490 1.00 0.00 H new ATOM 468 N VAL A 35 1.165 -22.863 -3.222 1.00 0.00 N ATOM 469 CA VAL A 35 1.526 -21.501 -2.854 1.00 0.00 C ATOM 470 C VAL A 35 0.492 -20.501 -3.338 1.00 0.00 C ATOM 471 O VAL A 35 0.319 -20.287 -4.538 1.00 0.00 O ATOM 472 CB VAL A 35 2.891 -21.090 -3.431 1.00 0.00 C ATOM 473 CG1 VAL A 35 3.166 -19.622 -3.143 1.00 0.00 C ATOM 474 CG2 VAL A 35 4.004 -21.962 -2.874 1.00 0.00 C ATOM 0 H VAL A 35 1.539 -23.180 -4.116 1.00 0.00 H new ATOM 0 HA VAL A 35 1.574 -21.491 -1.765 1.00 0.00 H new ATOM 0 HB VAL A 35 2.861 -21.234 -4.511 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.136 -19.345 -3.557 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.388 -19.010 -3.600 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.172 -19.457 -2.066 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.958 -21.650 -3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.039 -21.859 -1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.815 -23.004 -3.134 1.00 0.00 H new ATOM 484 N ARG A 36 -0.174 -19.883 -2.379 1.00 0.00 N ATOM 485 CA ARG A 36 -1.188 -18.880 -2.665 1.00 0.00 C ATOM 486 C ARG A 36 -0.536 -17.584 -3.125 1.00 0.00 C ATOM 487 O ARG A 36 0.550 -17.225 -2.670 1.00 0.00 O ATOM 488 CB ARG A 36 -2.045 -18.623 -1.424 1.00 0.00 C ATOM 489 CG ARG A 36 -2.883 -19.821 -1.009 1.00 0.00 C ATOM 490 CD ARG A 36 -3.791 -19.490 0.165 1.00 0.00 C ATOM 491 NE ARG A 36 -4.483 -20.675 0.669 1.00 0.00 N ATOM 492 CZ ARG A 36 -5.646 -21.111 0.189 1.00 0.00 C ATOM 493 NH1 ARG A 36 -6.247 -20.457 -0.796 1.00 0.00 N ATOM 494 NH2 ARG A 36 -6.207 -22.202 0.694 1.00 0.00 N ATOM 0 H ARG A 36 -0.030 -20.060 -1.385 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.828 -19.254 -3.464 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.396 -18.339 -0.596 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.705 -17.777 -1.616 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.486 -20.154 -1.854 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.227 -20.649 -0.740 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.201 -19.046 0.967 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.524 -18.744 -0.142 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.051 -21.197 1.431 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.818 -19.618 -1.187 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.138 -20.793 -1.162 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.747 -22.708 1.451 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.098 -22.535 0.325 1.00 0.00 H new ATOM 508 N ARG A 37 -1.210 -16.885 -4.028 1.00 0.00 N ATOM 509 CA ARG A 37 -0.703 -15.626 -4.548 1.00 0.00 C ATOM 510 C ARG A 37 -0.985 -14.496 -3.571 1.00 0.00 C ATOM 511 O ARG A 37 -2.055 -14.440 -2.964 1.00 0.00 O ATOM 512 CB ARG A 37 -1.333 -15.317 -5.908 1.00 0.00 C ATOM 513 CG ARG A 37 -0.765 -14.076 -6.574 1.00 0.00 C ATOM 514 CD ARG A 37 -1.312 -13.898 -7.981 1.00 0.00 C ATOM 515 NE ARG A 37 -2.743 -13.599 -7.985 1.00 0.00 N ATOM 516 CZ ARG A 37 -3.693 -14.531 -7.977 1.00 0.00 C ATOM 517 NH1 ARG A 37 -3.369 -15.818 -7.972 1.00 0.00 N ATOM 518 NH2 ARG A 37 -4.970 -14.175 -7.979 1.00 0.00 N ATOM 0 H ARG A 37 -2.110 -17.170 -4.415 1.00 0.00 H new ATOM 0 HA ARG A 37 0.376 -15.716 -4.675 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.188 -16.172 -6.569 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.408 -15.191 -5.781 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.006 -13.198 -5.975 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.322 -14.147 -6.612 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.773 -13.092 -8.479 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.131 -14.806 -8.557 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.030 -12.620 -7.994 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.388 -16.097 -7.974 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.101 -16.528 -7.966 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.224 -13.187 -7.987 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.698 -14.889 -7.973 1.00 0.00 H new ATOM 532 N HIS A 38 -0.020 -13.598 -3.420 1.00 0.00 N ATOM 533 CA HIS A 38 -0.170 -12.474 -2.511 1.00 0.00 C ATOM 534 C HIS A 38 0.456 -11.212 -3.091 1.00 0.00 C ATOM 535 O HIS A 38 1.223 -11.271 -4.052 1.00 0.00 O ATOM 536 CB HIS A 38 0.463 -12.797 -1.156 1.00 0.00 C ATOM 537 CG HIS A 38 -0.161 -13.975 -0.473 1.00 0.00 C ATOM 538 ND1 HIS A 38 -1.438 -13.953 0.045 1.00 0.00 N ATOM 539 CD2 HIS A 38 0.324 -15.215 -0.222 1.00 0.00 C ATOM 540 CE1 HIS A 38 -1.712 -15.127 0.585 1.00 0.00 C ATOM 541 NE2 HIS A 38 -0.660 -15.910 0.436 1.00 0.00 N ATOM 0 H HIS A 38 0.872 -13.628 -3.915 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.236 -12.295 -2.372 1.00 0.00 H new ATOM 0 HB2 HIS A 38 1.527 -12.990 -1.297 1.00 0.00 H new ATOM 0 HB3 HIS A 38 0.380 -11.925 -0.508 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -2.072 -13.155 0.016 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.302 -15.587 -0.490 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -2.639 -15.400 1.067 1.00 0.00 H new ATOM 550 N HIS A 39 0.111 -10.072 -2.510 1.00 0.00 N ATOM 551 CA HIS A 39 0.628 -8.795 -2.983 1.00 0.00 C ATOM 552 C HIS A 39 1.178 -7.955 -1.838 1.00 0.00 C ATOM 553 O HIS A 39 0.657 -7.989 -0.723 1.00 0.00 O ATOM 554 CB HIS A 39 -0.476 -8.021 -3.703 1.00 0.00 C ATOM 555 CG HIS A 39 -1.099 -8.781 -4.833 1.00 0.00 C ATOM 556 ND1 HIS A 39 -0.436 -9.063 -6.010 1.00 0.00 N ATOM 557 CD2 HIS A 39 -2.334 -9.321 -4.961 1.00 0.00 C ATOM 558 CE1 HIS A 39 -1.236 -9.743 -6.812 1.00 0.00 C ATOM 559 NE2 HIS A 39 -2.392 -9.912 -6.198 1.00 0.00 N ATOM 0 H HIS A 39 -0.522 -10.004 -1.713 1.00 0.00 H new ATOM 0 HA HIS A 39 1.445 -9.002 -3.674 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.251 -7.755 -2.984 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.064 -7.088 -4.087 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -3.125 -9.292 -4.227 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -0.987 -10.099 -7.801 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -3.199 -10.403 -6.582 1.00 0.00 H new ATOM 568 N CYS A 40 2.209 -7.168 -2.131 1.00 0.00 N ATOM 569 CA CYS A 40 2.811 -6.277 -1.151 1.00 0.00 C ATOM 570 C CYS A 40 2.098 -4.926 -1.225 1.00 0.00 C ATOM 571 O CYS A 40 1.784 -4.439 -2.310 1.00 0.00 O ATOM 572 CB CYS A 40 4.307 -6.124 -1.444 1.00 0.00 C ATOM 573 SG CYS A 40 5.120 -4.812 -0.505 1.00 0.00 S ATOM 0 H CYS A 40 2.647 -7.132 -3.051 1.00 0.00 H new ATOM 0 HA CYS A 40 2.705 -6.685 -0.146 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.805 -7.070 -1.230 1.00 0.00 H new ATOM 0 HB3 CYS A 40 4.438 -5.928 -2.508 1.00 0.00 H new ATOM 0 HG CYS A 40 6.197 -4.436 -1.128 1.00 0.00 H new ATOM 579 N ARG A 41 1.804 -4.352 -0.060 1.00 0.00 N ATOM 580 CA ARG A 41 1.076 -3.085 0.022 1.00 0.00 C ATOM 581 C ARG A 41 1.909 -1.885 -0.428 1.00 0.00 C ATOM 582 O ARG A 41 1.394 -0.770 -0.517 1.00 0.00 O ATOM 583 CB ARG A 41 0.594 -2.864 1.457 1.00 0.00 C ATOM 584 CG ARG A 41 -0.339 -3.953 1.956 1.00 0.00 C ATOM 585 CD ARG A 41 -0.799 -3.682 3.379 1.00 0.00 C ATOM 586 NE ARG A 41 -1.722 -2.554 3.454 1.00 0.00 N ATOM 587 CZ ARG A 41 -2.945 -2.564 2.934 1.00 0.00 C ATOM 588 NH1 ARG A 41 -3.393 -3.645 2.309 1.00 0.00 N ATOM 589 NH2 ARG A 41 -3.723 -1.496 3.042 1.00 0.00 N ATOM 0 H ARG A 41 2.060 -4.746 0.845 1.00 0.00 H new ATOM 0 HA ARG A 41 0.230 -3.159 -0.661 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.459 -2.806 2.118 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.083 -1.903 1.516 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.206 -4.020 1.299 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.169 -4.917 1.914 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.283 -4.573 3.778 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.069 -3.482 4.008 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.410 -1.709 3.933 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.799 -4.470 2.227 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.332 -3.651 1.910 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.383 -0.664 3.525 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.661 -1.506 2.642 1.00 0.00 H new ATOM 603 N ASN A 42 3.185 -2.102 -0.702 1.00 0.00 N ATOM 604 CA ASN A 42 4.063 -1.015 -1.131 1.00 0.00 C ATOM 605 C ASN A 42 4.325 -1.043 -2.633 1.00 0.00 C ATOM 606 O ASN A 42 3.867 -0.167 -3.365 1.00 0.00 O ATOM 607 CB ASN A 42 5.388 -1.079 -0.370 1.00 0.00 C ATOM 608 CG ASN A 42 5.354 -0.271 0.907 1.00 0.00 C ATOM 609 OD1 ASN A 42 5.354 0.959 0.876 1.00 0.00 O ATOM 610 ND2 ASN A 42 5.332 -0.960 2.037 1.00 0.00 N ATOM 0 H ASN A 42 3.638 -3.014 -0.637 1.00 0.00 H new ATOM 0 HA ASN A 42 3.553 -0.078 -0.905 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.620 -2.118 -0.134 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.190 -0.711 -1.009 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.314 -0.471 2.932 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.333 -1.980 2.013 1.00 0.00 H new ATOM 617 N CYS A 43 5.079 -2.032 -3.085 1.00 0.00 N ATOM 618 CA CYS A 43 5.418 -2.143 -4.498 1.00 0.00 C ATOM 619 C CYS A 43 4.231 -2.627 -5.323 1.00 0.00 C ATOM 620 O CYS A 43 4.142 -2.353 -6.520 1.00 0.00 O ATOM 621 CB CYS A 43 6.608 -3.087 -4.687 1.00 0.00 C ATOM 622 SG CYS A 43 6.335 -4.762 -4.063 1.00 0.00 S ATOM 0 H CYS A 43 5.468 -2.769 -2.497 1.00 0.00 H new ATOM 0 HA CYS A 43 5.689 -1.148 -4.852 1.00 0.00 H new ATOM 0 HB2 CYS A 43 6.848 -3.142 -5.749 1.00 0.00 H new ATOM 0 HB3 CYS A 43 7.477 -2.662 -4.185 1.00 0.00 H new ATOM 0 HG CYS A 43 6.783 -4.850 -2.846 1.00 0.00 H new ATOM 628 N GLY A 44 3.315 -3.333 -4.674 1.00 0.00 N ATOM 629 CA GLY A 44 2.139 -3.826 -5.366 1.00 0.00 C ATOM 630 C GLY A 44 2.444 -5.002 -6.272 1.00 0.00 C ATOM 631 O GLY A 44 1.676 -5.306 -7.185 1.00 0.00 O ATOM 0 H GLY A 44 3.364 -3.573 -3.684 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.389 -4.122 -4.633 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.706 -3.020 -5.958 1.00 0.00 H new ATOM 635 N TYR A 45 3.560 -5.672 -6.017 1.00 0.00 N ATOM 636 CA TYR A 45 3.958 -6.826 -6.812 1.00 0.00 C ATOM 637 C TYR A 45 3.537 -8.118 -6.131 1.00 0.00 C ATOM 638 O TYR A 45 3.199 -8.129 -4.948 1.00 0.00 O ATOM 639 CB TYR A 45 5.467 -6.836 -7.046 1.00 0.00 C ATOM 640 CG TYR A 45 5.981 -5.623 -7.790 1.00 0.00 C ATOM 641 CD1 TYR A 45 5.375 -5.196 -8.965 1.00 0.00 C ATOM 642 CD2 TYR A 45 7.075 -4.910 -7.318 1.00 0.00 C ATOM 643 CE1 TYR A 45 5.847 -4.090 -9.648 1.00 0.00 C ATOM 644 CE2 TYR A 45 7.552 -3.804 -7.994 1.00 0.00 C ATOM 645 CZ TYR A 45 6.935 -3.399 -9.158 1.00 0.00 C ATOM 646 OH TYR A 45 7.409 -2.298 -9.836 1.00 0.00 O ATOM 0 H TYR A 45 4.207 -5.436 -5.264 1.00 0.00 H new ATOM 0 HA TYR A 45 3.455 -6.752 -7.776 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.974 -6.901 -6.083 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.732 -7.733 -7.606 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.523 -5.736 -9.351 1.00 0.00 H new ATOM 0 HD2 TYR A 45 7.561 -5.226 -6.407 1.00 0.00 H new ATOM 0 HE1 TYR A 45 5.366 -3.769 -10.560 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.403 -3.260 -7.613 1.00 0.00 H new ATOM 0 HH TYR A 45 8.179 -1.926 -9.357 1.00 0.00 H new ATOM 656 N VAL A 46 3.552 -9.203 -6.894 1.00 0.00 N ATOM 657 CA VAL A 46 3.164 -10.501 -6.364 1.00 0.00 C ATOM 658 C VAL A 46 4.309 -11.140 -5.588 1.00 0.00 C ATOM 659 O VAL A 46 5.428 -11.252 -6.089 1.00 0.00 O ATOM 660 CB VAL A 46 2.716 -11.463 -7.479 1.00 0.00 C ATOM 661 CG1 VAL A 46 2.318 -12.806 -6.887 1.00 0.00 C ATOM 662 CG2 VAL A 46 1.569 -10.863 -8.280 1.00 0.00 C ATOM 0 H VAL A 46 3.827 -9.210 -7.876 1.00 0.00 H new ATOM 0 HA VAL A 46 2.323 -10.325 -5.694 1.00 0.00 H new ATOM 0 HB VAL A 46 3.554 -11.620 -8.159 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.003 -13.477 -7.686 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.170 -13.240 -6.364 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.495 -12.665 -6.186 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.268 -11.560 -9.063 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.724 -10.673 -7.619 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.893 -9.926 -8.733 1.00 0.00 H new ATOM 672 N LEU A 47 4.016 -11.562 -4.364 1.00 0.00 N ATOM 673 CA LEU A 47 5.013 -12.201 -3.515 1.00 0.00 C ATOM 674 C LEU A 47 4.453 -13.477 -2.903 1.00 0.00 C ATOM 675 O LEU A 47 3.317 -13.500 -2.427 1.00 0.00 O ATOM 676 CB LEU A 47 5.445 -11.270 -2.374 1.00 0.00 C ATOM 677 CG LEU A 47 6.245 -10.024 -2.760 1.00 0.00 C ATOM 678 CD1 LEU A 47 7.647 -10.395 -3.205 1.00 0.00 C ATOM 679 CD2 LEU A 47 5.536 -9.227 -3.839 1.00 0.00 C ATOM 0 H LEU A 47 3.094 -11.473 -3.937 1.00 0.00 H new ATOM 0 HA LEU A 47 5.873 -12.432 -4.143 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.550 -10.947 -1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.041 -11.851 -1.670 1.00 0.00 H new ATOM 0 HG LEU A 47 6.323 -9.395 -1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 47 8.194 -9.492 -3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.164 -10.904 -2.392 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.591 -11.056 -4.070 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.129 -8.348 -4.091 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.411 -9.847 -4.726 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.558 -8.912 -3.475 1.00 0.00 H new ATOM 691 N CYS A 48 5.263 -14.528 -2.879 1.00 0.00 N ATOM 692 CA CYS A 48 4.844 -15.784 -2.277 1.00 0.00 C ATOM 693 C CYS A 48 4.937 -15.650 -0.765 1.00 0.00 C ATOM 694 O CYS A 48 5.429 -14.638 -0.267 1.00 0.00 O ATOM 695 CB CYS A 48 5.715 -16.943 -2.770 1.00 0.00 C ATOM 696 SG CYS A 48 7.394 -16.942 -2.098 1.00 0.00 S ATOM 0 H CYS A 48 6.206 -14.535 -3.267 1.00 0.00 H new ATOM 0 HA CYS A 48 3.816 -16.002 -2.566 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.231 -17.884 -2.509 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.770 -16.905 -3.858 1.00 0.00 H new ATOM 0 HG CYS A 48 8.204 -17.489 -2.954 1.00 0.00 H new ATOM 702 N GLY A 49 4.469 -16.645 -0.021 1.00 0.00 N ATOM 703 CA GLY A 49 4.532 -16.551 1.421 1.00 0.00 C ATOM 704 C GLY A 49 5.915 -16.170 1.911 1.00 0.00 C ATOM 705 O GLY A 49 6.070 -15.202 2.652 1.00 0.00 O ATOM 0 H GLY A 49 4.053 -17.502 -0.385 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.810 -15.812 1.767 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.244 -17.507 1.858 1.00 0.00 H new ATOM 709 N ASP A 50 6.916 -16.940 1.492 1.00 0.00 N ATOM 710 CA ASP A 50 8.303 -16.701 1.892 1.00 0.00 C ATOM 711 C ASP A 50 8.776 -15.284 1.582 1.00 0.00 C ATOM 712 O ASP A 50 9.550 -14.699 2.339 1.00 0.00 O ATOM 713 CB ASP A 50 9.235 -17.715 1.234 1.00 0.00 C ATOM 714 CG ASP A 50 9.180 -19.073 1.905 1.00 0.00 C ATOM 715 OD1 ASP A 50 8.441 -19.213 2.902 1.00 0.00 O ATOM 716 OD2 ASP A 50 9.877 -19.996 1.435 1.00 0.00 O ATOM 0 H ASP A 50 6.793 -17.740 0.872 1.00 0.00 H new ATOM 0 HA ASP A 50 8.336 -16.822 2.975 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.967 -17.821 0.183 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.257 -17.338 1.266 1.00 0.00 H new ATOM 721 N CYS A 51 8.310 -14.738 0.465 1.00 0.00 N ATOM 722 CA CYS A 51 8.691 -13.390 0.061 1.00 0.00 C ATOM 723 C CYS A 51 7.739 -12.351 0.640 1.00 0.00 C ATOM 724 O CYS A 51 7.928 -11.149 0.454 1.00 0.00 O ATOM 725 CB CYS A 51 8.740 -13.278 -1.461 1.00 0.00 C ATOM 726 SG CYS A 51 10.364 -13.658 -2.161 1.00 0.00 S ATOM 0 H CYS A 51 7.669 -15.207 -0.176 1.00 0.00 H new ATOM 0 HA CYS A 51 9.687 -13.193 0.457 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.001 -13.954 -1.891 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.455 -12.267 -1.752 1.00 0.00 H new ATOM 0 HG CYS A 51 10.286 -14.742 -2.874 1.00 0.00 H new ATOM 732 N SER A 52 6.728 -12.821 1.362 1.00 0.00 N ATOM 733 CA SER A 52 5.758 -11.944 1.994 1.00 0.00 C ATOM 734 C SER A 52 5.582 -12.351 3.452 1.00 0.00 C ATOM 735 O SER A 52 4.546 -12.090 4.063 1.00 0.00 O ATOM 736 CB SER A 52 4.416 -12.007 1.261 1.00 0.00 C ATOM 737 OG SER A 52 3.779 -13.254 1.472 1.00 0.00 O ATOM 0 H SER A 52 6.561 -13.814 1.523 1.00 0.00 H new ATOM 0 HA SER A 52 6.123 -10.918 1.946 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.770 -11.201 1.609 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.573 -11.851 0.194 1.00 0.00 H new ATOM 0 HG SER A 52 4.185 -13.931 0.891 1.00 0.00 H new ATOM 743 N ARG A 53 6.615 -12.983 4.005 1.00 0.00 N ATOM 744 CA ARG A 53 6.589 -13.415 5.396 1.00 0.00 C ATOM 745 C ARG A 53 6.904 -12.251 6.331 1.00 0.00 C ATOM 746 O ARG A 53 6.609 -12.312 7.525 1.00 0.00 O ATOM 747 CB ARG A 53 7.577 -14.564 5.639 1.00 0.00 C ATOM 748 CG ARG A 53 7.144 -15.894 5.047 1.00 0.00 C ATOM 749 CD ARG A 53 8.072 -17.020 5.475 1.00 0.00 C ATOM 750 NE ARG A 53 9.463 -16.743 5.133 1.00 0.00 N ATOM 751 CZ ARG A 53 10.415 -17.670 5.108 1.00 0.00 C ATOM 752 NH1 ARG A 53 10.125 -18.930 5.401 1.00 0.00 N ATOM 753 NH2 ARG A 53 11.659 -17.336 4.790 1.00 0.00 N ATOM 0 H ARG A 53 7.478 -13.206 3.510 1.00 0.00 H new ATOM 0 HA ARG A 53 5.583 -13.775 5.609 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.545 -14.290 5.219 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.718 -14.686 6.713 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.125 -16.120 5.363 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.133 -15.823 3.959 1.00 0.00 H new ATOM 0 HD2 ARG A 53 7.987 -17.171 6.551 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.759 -17.949 4.997 1.00 0.00 H new ATOM 0 HE ARG A 53 9.719 -15.784 4.900 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.170 -19.190 5.646 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.857 -19.640 5.381 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.885 -16.367 4.565 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.389 -18.048 4.771 1.00 0.00 H new ATOM 767 N HIS A 54 7.508 -11.193 5.793 1.00 0.00 N ATOM 768 CA HIS A 54 7.857 -10.031 6.603 1.00 0.00 C ATOM 769 C HIS A 54 6.646 -9.143 6.839 1.00 0.00 C ATOM 770 O HIS A 54 5.631 -9.259 6.152 1.00 0.00 O ATOM 771 CB HIS A 54 8.944 -9.205 5.917 1.00 0.00 C ATOM 772 CG HIS A 54 10.257 -9.907 5.781 1.00 0.00 C ATOM 773 ND1 HIS A 54 10.478 -10.921 4.873 1.00 0.00 N ATOM 774 CD2 HIS A 54 11.432 -9.721 6.428 1.00 0.00 C ATOM 775 CE1 HIS A 54 11.732 -11.329 4.968 1.00 0.00 C ATOM 776 NE2 HIS A 54 12.331 -10.616 5.904 1.00 0.00 N ATOM 0 H HIS A 54 7.763 -11.118 4.808 1.00 0.00 H new ATOM 0 HA HIS A 54 8.223 -10.401 7.561 1.00 0.00 H new ATOM 0 HB2 HIS A 54 8.594 -8.918 4.925 1.00 0.00 H new ATOM 0 HB3 HIS A 54 9.094 -8.284 6.481 1.00 0.00 H new ATOM 0 HD2 HIS A 54 11.626 -9.002 7.211 1.00 0.00 H new ATOM 0 HE1 HIS A 54 12.188 -12.112 4.380 1.00 0.00 H new ATOM 0 HE2 HIS A 54 13.305 -10.714 6.191 1.00 0.00 H new ATOM 785 N ARG A 55 6.772 -8.244 7.806 1.00 0.00 N ATOM 786 CA ARG A 55 5.700 -7.315 8.126 1.00 0.00 C ATOM 787 C ARG A 55 6.272 -5.949 8.503 1.00 0.00 C ATOM 788 O ARG A 55 7.270 -5.860 9.219 1.00 0.00 O ATOM 789 CB ARG A 55 4.833 -7.869 9.254 1.00 0.00 C ATOM 790 CG ARG A 55 4.757 -9.387 9.268 1.00 0.00 C ATOM 791 CD ARG A 55 3.845 -9.887 10.375 1.00 0.00 C ATOM 792 NE ARG A 55 3.966 -11.328 10.572 1.00 0.00 N ATOM 793 CZ ARG A 55 3.677 -11.941 11.715 1.00 0.00 C ATOM 794 NH1 ARG A 55 3.248 -11.241 12.756 1.00 0.00 N ATOM 795 NH2 ARG A 55 3.816 -13.255 11.819 1.00 0.00 N ATOM 0 H ARG A 55 7.607 -8.139 8.382 1.00 0.00 H new ATOM 0 HA ARG A 55 5.073 -7.191 7.243 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.229 -7.524 10.209 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.826 -7.463 9.161 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.391 -9.743 8.305 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.756 -9.801 9.403 1.00 0.00 H new ATOM 0 HD2 ARG A 55 4.087 -9.372 11.305 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.811 -9.639 10.133 1.00 0.00 H new ATOM 0 HE ARG A 55 4.290 -11.896 9.789 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.139 -10.230 12.681 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.027 -11.714 13.632 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.145 -13.798 11.021 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.594 -13.723 12.697 1.00 0.00 H new ATOM 809 N ALA A 56 5.641 -4.894 8.016 1.00 0.00 N ATOM 810 CA ALA A 56 6.100 -3.540 8.308 1.00 0.00 C ATOM 811 C ALA A 56 5.020 -2.508 8.048 1.00 0.00 C ATOM 812 O ALA A 56 4.127 -2.721 7.229 1.00 0.00 O ATOM 813 CB ALA A 56 7.336 -3.216 7.482 1.00 0.00 C ATOM 0 H ALA A 56 4.815 -4.944 7.420 1.00 0.00 H new ATOM 0 HA ALA A 56 6.349 -3.500 9.368 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.670 -2.203 7.708 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.130 -3.922 7.724 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.095 -3.290 6.422 1.00 0.00 H new ATOM 819 N ALA A 57 5.123 -1.365 8.722 1.00 0.00 N ATOM 820 CA ALA A 57 4.172 -0.285 8.528 1.00 0.00 C ATOM 821 C ALA A 57 4.574 0.514 7.302 1.00 0.00 C ATOM 822 O ALA A 57 5.728 0.466 6.873 1.00 0.00 O ATOM 823 CB ALA A 57 4.102 0.604 9.760 1.00 0.00 C ATOM 0 H ALA A 57 5.855 -1.168 9.404 1.00 0.00 H new ATOM 0 HA ALA A 57 3.177 -0.703 8.373 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.383 1.405 9.590 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.788 0.011 10.619 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.085 1.034 9.955 1.00 0.00 H new ATOM 829 N ILE A 58 3.632 1.250 6.735 1.00 0.00 N ATOM 830 CA ILE A 58 3.903 2.055 5.557 1.00 0.00 C ATOM 831 C ILE A 58 3.304 3.449 5.722 1.00 0.00 C ATOM 832 O ILE A 58 2.262 3.763 5.148 1.00 0.00 O ATOM 833 CB ILE A 58 3.331 1.377 4.300 1.00 0.00 C ATOM 834 CG1 ILE A 58 3.320 -0.145 4.482 1.00 0.00 C ATOM 835 CG2 ILE A 58 4.149 1.764 3.083 1.00 0.00 C ATOM 836 CD1 ILE A 58 2.878 -0.907 3.250 1.00 0.00 C ATOM 0 H ILE A 58 2.671 1.306 7.073 1.00 0.00 H new ATOM 0 HA ILE A 58 4.983 2.148 5.441 1.00 0.00 H new ATOM 0 HB ILE A 58 2.305 1.714 4.149 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.320 -0.475 4.762 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.658 -0.397 5.310 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.736 1.279 2.198 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.117 2.846 2.952 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.182 1.446 3.223 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.897 -1.977 3.458 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.865 -0.607 2.981 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.554 -0.686 2.424 1.00 0.00 H new ATOM 848 N PRO A 59 3.956 4.290 6.541 1.00 0.00 N ATOM 849 CA PRO A 59 3.495 5.655 6.834 1.00 0.00 C ATOM 850 C PRO A 59 3.489 6.589 5.628 1.00 0.00 C ATOM 851 O PRO A 59 2.883 7.660 5.679 1.00 0.00 O ATOM 852 CB PRO A 59 4.478 6.148 7.899 1.00 0.00 C ATOM 853 CG PRO A 59 5.693 5.310 7.706 1.00 0.00 C ATOM 854 CD PRO A 59 5.190 3.962 7.274 1.00 0.00 C ATOM 0 HA PRO A 59 2.454 5.649 7.156 1.00 0.00 H new ATOM 0 HB2 PRO A 59 4.703 7.207 7.771 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.069 6.028 8.902 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.352 5.742 6.953 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.269 5.236 8.629 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.911 3.446 6.640 1.00 0.00 H new ATOM 0 HD3 PRO A 59 4.993 3.312 8.127 1.00 0.00 H new ATOM 862 N MET A 60 4.125 6.189 4.536 1.00 0.00 N ATOM 863 CA MET A 60 4.127 7.016 3.336 1.00 0.00 C ATOM 864 C MET A 60 2.892 6.687 2.513 1.00 0.00 C ATOM 865 O MET A 60 2.276 7.559 1.897 1.00 0.00 O ATOM 866 CB MET A 60 5.397 6.765 2.517 1.00 0.00 C ATOM 867 CG MET A 60 6.674 7.181 3.233 1.00 0.00 C ATOM 868 SD MET A 60 8.140 7.020 2.194 1.00 0.00 S ATOM 869 CE MET A 60 9.421 7.549 3.328 1.00 0.00 C ATOM 0 H MET A 60 4.639 5.312 4.455 1.00 0.00 H new ATOM 0 HA MET A 60 4.110 8.069 3.617 1.00 0.00 H new ATOM 0 HB2 MET A 60 5.457 5.705 2.270 1.00 0.00 H new ATOM 0 HB3 MET A 60 5.325 7.308 1.575 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.580 8.215 3.563 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.799 6.571 4.128 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.389 7.504 2.830 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.224 8.572 3.647 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.430 6.893 4.198 1.00 0.00 H new ATOM 879 N ARG A 61 2.544 5.408 2.522 1.00 0.00 N ATOM 880 CA ARG A 61 1.388 4.906 1.794 1.00 0.00 C ATOM 881 C ARG A 61 0.108 5.092 2.608 1.00 0.00 C ATOM 882 O ARG A 61 -0.968 4.642 2.213 1.00 0.00 O ATOM 883 CB ARG A 61 1.592 3.426 1.474 1.00 0.00 C ATOM 884 CG ARG A 61 2.930 3.135 0.813 1.00 0.00 C ATOM 885 CD ARG A 61 3.052 3.823 -0.533 1.00 0.00 C ATOM 886 NE ARG A 61 2.169 3.228 -1.528 1.00 0.00 N ATOM 887 CZ ARG A 61 1.810 3.840 -2.650 1.00 0.00 C ATOM 888 NH1 ARG A 61 2.256 5.061 -2.909 1.00 0.00 N ATOM 889 NH2 ARG A 61 1.005 3.233 -3.510 1.00 0.00 N ATOM 0 H ARG A 61 3.055 4.689 3.034 1.00 0.00 H new ATOM 0 HA ARG A 61 1.286 5.471 0.867 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.516 2.848 2.395 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.789 3.089 0.818 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.738 3.466 1.465 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.046 2.059 0.683 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.815 4.881 -0.423 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.084 3.762 -0.880 1.00 0.00 H new ATOM 0 HE ARG A 61 1.807 2.291 -1.353 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.874 5.529 -2.247 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.981 5.532 -3.771 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.660 2.294 -3.310 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.730 3.705 -4.372 1.00 0.00 H new ATOM 903 N GLY A 62 0.242 5.766 3.747 1.00 0.00 N ATOM 904 CA GLY A 62 -0.900 6.017 4.606 1.00 0.00 C ATOM 905 C GLY A 62 -1.112 4.917 5.624 1.00 0.00 C ATOM 906 O GLY A 62 -2.143 4.873 6.296 1.00 0.00 O ATOM 0 H GLY A 62 1.125 6.144 4.090 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.759 6.965 5.125 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.796 6.119 3.994 1.00 0.00 H new ATOM 910 N ILE A 63 -0.136 4.025 5.738 1.00 0.00 N ATOM 911 CA ILE A 63 -0.218 2.918 6.675 1.00 0.00 C ATOM 912 C ILE A 63 0.630 3.205 7.912 1.00 0.00 C ATOM 913 O ILE A 63 1.855 3.090 7.880 1.00 0.00 O ATOM 914 CB ILE A 63 0.260 1.619 5.998 1.00 0.00 C ATOM 915 CG1 ILE A 63 -0.569 1.356 4.737 1.00 0.00 C ATOM 916 CG2 ILE A 63 0.175 0.441 6.955 1.00 0.00 C ATOM 917 CD1 ILE A 63 -0.022 0.247 3.867 1.00 0.00 C ATOM 0 H ILE A 63 0.724 4.049 5.190 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.256 2.798 6.984 1.00 0.00 H new ATOM 0 HB ILE A 63 1.306 1.738 5.715 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.589 1.106 5.030 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.621 2.273 4.150 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.518 -0.463 6.451 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.804 0.633 7.825 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.858 0.307 7.276 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.662 0.120 2.994 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.987 0.503 3.543 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.004 -0.682 4.436 1.00 0.00 H new ATOM 929 N THR A 64 -0.032 3.588 8.998 1.00 0.00 N ATOM 930 CA THR A 64 0.658 3.904 10.245 1.00 0.00 C ATOM 931 C THR A 64 0.855 2.662 11.108 1.00 0.00 C ATOM 932 O THR A 64 1.677 2.659 12.023 1.00 0.00 O ATOM 933 CB THR A 64 -0.112 4.975 11.018 1.00 0.00 C ATOM 934 OG1 THR A 64 -1.447 4.561 11.256 1.00 0.00 O ATOM 935 CG2 THR A 64 -0.156 6.310 10.304 1.00 0.00 C ATOM 0 H THR A 64 -1.046 3.687 9.041 1.00 0.00 H new ATOM 0 HA THR A 64 1.646 4.289 9.992 1.00 0.00 H new ATOM 0 HB THR A 64 0.429 5.104 11.955 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.922 5.259 11.753 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.717 7.026 10.905 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.860 6.677 10.156 1.00 0.00 H new ATOM 0 HG23 THR A 64 -0.643 6.189 9.336 1.00 0.00 H new ATOM 943 N GLU A 65 0.112 1.608 10.802 1.00 0.00 N ATOM 944 CA GLU A 65 0.224 0.358 11.542 1.00 0.00 C ATOM 945 C GLU A 65 0.988 -0.658 10.709 1.00 0.00 C ATOM 946 O GLU A 65 0.844 -0.699 9.488 1.00 0.00 O ATOM 947 CB GLU A 65 -1.164 -0.181 11.895 1.00 0.00 C ATOM 948 CG GLU A 65 -2.207 0.906 12.092 1.00 0.00 C ATOM 949 CD GLU A 65 -3.618 0.356 12.172 1.00 0.00 C ATOM 950 OE1 GLU A 65 -3.802 -0.851 11.912 1.00 0.00 O ATOM 951 OE2 GLU A 65 -4.541 1.135 12.497 1.00 0.00 O ATOM 0 H GLU A 65 -0.574 1.593 10.047 1.00 0.00 H new ATOM 0 HA GLU A 65 0.765 0.541 12.470 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.496 -0.852 11.103 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.093 -0.774 12.807 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.984 1.457 13.006 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.145 1.617 11.268 1.00 0.00 H new ATOM 958 N PRO A 66 1.826 -1.485 11.344 1.00 0.00 N ATOM 959 CA PRO A 66 2.616 -2.483 10.627 1.00 0.00 C ATOM 960 C PRO A 66 1.744 -3.399 9.776 1.00 0.00 C ATOM 961 O PRO A 66 0.833 -4.058 10.277 1.00 0.00 O ATOM 962 CB PRO A 66 3.324 -3.268 11.740 1.00 0.00 C ATOM 963 CG PRO A 66 2.610 -2.897 13.000 1.00 0.00 C ATOM 964 CD PRO A 66 2.085 -1.508 12.788 1.00 0.00 C ATOM 0 HA PRO A 66 3.312 -2.025 9.925 1.00 0.00 H new ATOM 0 HB2 PRO A 66 3.271 -4.342 11.559 1.00 0.00 H new ATOM 0 HB3 PRO A 66 4.381 -3.006 11.795 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.797 -3.593 13.207 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.285 -2.932 13.855 1.00 0.00 H new ATOM 0 HD2 PRO A 66 1.179 -1.324 13.366 1.00 0.00 H new ATOM 0 HD3 PRO A 66 2.811 -0.750 13.082 1.00 0.00 H new ATOM 972 N GLU A 67 2.037 -3.426 8.482 1.00 0.00 N ATOM 973 CA GLU A 67 1.297 -4.247 7.535 1.00 0.00 C ATOM 974 C GLU A 67 2.247 -5.158 6.764 1.00 0.00 C ATOM 975 O GLU A 67 3.463 -4.992 6.825 1.00 0.00 O ATOM 976 CB GLU A 67 0.511 -3.359 6.569 1.00 0.00 C ATOM 977 CG GLU A 67 -0.545 -2.509 7.256 1.00 0.00 C ATOM 978 CD GLU A 67 -1.590 -3.346 7.969 1.00 0.00 C ATOM 979 OE1 GLU A 67 -1.676 -4.558 7.679 1.00 0.00 O ATOM 980 OE2 GLU A 67 -2.319 -2.790 8.816 1.00 0.00 O ATOM 0 H GLU A 67 2.791 -2.882 8.062 1.00 0.00 H new ATOM 0 HA GLU A 67 0.594 -4.870 8.089 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.205 -2.706 6.040 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.030 -3.987 5.819 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.063 -1.846 7.975 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.034 -1.875 6.516 1.00 0.00 H new ATOM 987 N ARG A 68 1.691 -6.135 6.061 1.00 0.00 N ATOM 988 CA ARG A 68 2.499 -7.085 5.305 1.00 0.00 C ATOM 989 C ARG A 68 3.112 -6.447 4.059 1.00 0.00 C ATOM 990 O ARG A 68 2.471 -5.670 3.351 1.00 0.00 O ATOM 991 CB ARG A 68 1.656 -8.294 4.918 1.00 0.00 C ATOM 992 CG ARG A 68 0.999 -8.968 6.109 1.00 0.00 C ATOM 993 CD ARG A 68 0.333 -10.276 5.717 1.00 0.00 C ATOM 994 NE ARG A 68 -0.513 -10.794 6.786 1.00 0.00 N ATOM 995 CZ ARG A 68 -1.732 -10.335 7.045 1.00 0.00 C ATOM 996 NH1 ARG A 68 -2.240 -9.350 6.317 1.00 0.00 N ATOM 997 NH2 ARG A 68 -2.444 -10.856 8.036 1.00 0.00 N ATOM 0 H ARG A 68 0.685 -6.291 5.998 1.00 0.00 H new ATOM 0 HA ARG A 68 3.320 -7.405 5.946 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.885 -7.981 4.214 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.286 -9.018 4.400 1.00 0.00 H new ATOM 0 HG2 ARG A 68 1.747 -9.157 6.879 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.257 -8.298 6.543 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.267 -10.124 4.820 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.097 -11.013 5.468 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.149 -11.550 7.366 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.694 -8.944 5.557 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.176 -8.999 6.517 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.055 -11.611 8.601 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.380 -10.502 8.233 1.00 0.00 H new ATOM 1011 N VAL A 69 4.361 -6.818 3.805 1.00 0.00 N ATOM 1012 CA VAL A 69 5.115 -6.338 2.649 1.00 0.00 C ATOM 1013 C VAL A 69 6.068 -7.417 2.163 1.00 0.00 C ATOM 1014 O VAL A 69 6.141 -8.501 2.743 1.00 0.00 O ATOM 1015 CB VAL A 69 5.945 -5.085 2.984 1.00 0.00 C ATOM 1016 CG1 VAL A 69 5.038 -3.896 3.258 1.00 0.00 C ATOM 1017 CG2 VAL A 69 6.875 -5.356 4.160 1.00 0.00 C ATOM 0 H VAL A 69 4.884 -7.464 4.397 1.00 0.00 H new ATOM 0 HA VAL A 69 4.387 -6.086 1.878 1.00 0.00 H new ATOM 0 HB VAL A 69 6.563 -4.839 2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.645 -3.022 3.493 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.431 -3.690 2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.386 -4.122 4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.453 -4.459 4.381 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.285 -5.633 5.034 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.553 -6.171 3.907 1.00 0.00 H new ATOM 1027 N CYS A 70 6.828 -7.104 1.121 1.00 0.00 N ATOM 1028 CA CYS A 70 7.809 -8.029 0.589 1.00 0.00 C ATOM 1029 C CYS A 70 9.155 -7.737 1.238 1.00 0.00 C ATOM 1030 O CYS A 70 9.211 -7.091 2.283 1.00 0.00 O ATOM 1031 CB CYS A 70 7.902 -7.918 -0.935 1.00 0.00 C ATOM 1032 SG CYS A 70 8.972 -6.591 -1.528 1.00 0.00 S ATOM 0 H CYS A 70 6.780 -6.212 0.629 1.00 0.00 H new ATOM 0 HA CYS A 70 7.506 -9.051 0.818 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.265 -8.865 -1.334 1.00 0.00 H new ATOM 0 HB3 CYS A 70 6.900 -7.766 -1.337 1.00 0.00 H new ATOM 0 HG CYS A 70 8.336 -5.459 -1.464 1.00 0.00 H new ATOM 1038 N ASP A 71 10.233 -8.217 0.641 1.00 0.00 N ATOM 1039 CA ASP A 71 11.558 -7.990 1.209 1.00 0.00 C ATOM 1040 C ASP A 71 12.140 -6.633 0.808 1.00 0.00 C ATOM 1041 O ASP A 71 12.740 -5.948 1.636 1.00 0.00 O ATOM 1042 CB ASP A 71 12.510 -9.118 0.815 1.00 0.00 C ATOM 1043 CG ASP A 71 12.074 -10.457 1.375 1.00 0.00 C ATOM 1044 OD1 ASP A 71 11.276 -10.466 2.336 1.00 0.00 O ATOM 1045 OD2 ASP A 71 12.527 -11.496 0.850 1.00 0.00 O ATOM 0 H ASP A 71 10.222 -8.758 -0.223 1.00 0.00 H new ATOM 0 HA ASP A 71 11.444 -7.982 2.293 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.565 -9.181 -0.272 1.00 0.00 H new ATOM 0 HB3 ASP A 71 13.513 -8.886 1.172 1.00 0.00 H new ATOM 1050 N ALA A 72 11.974 -6.245 -0.452 1.00 0.00 N ATOM 1051 CA ALA A 72 12.503 -4.966 -0.923 1.00 0.00 C ATOM 1052 C ALA A 72 11.780 -3.788 -0.278 1.00 0.00 C ATOM 1053 O ALA A 72 12.414 -2.832 0.170 1.00 0.00 O ATOM 1054 CB ALA A 72 12.408 -4.879 -2.438 1.00 0.00 C ATOM 0 H ALA A 72 11.483 -6.790 -1.161 1.00 0.00 H new ATOM 0 HA ALA A 72 13.551 -4.913 -0.630 1.00 0.00 H new ATOM 0 HB1 ALA A 72 12.806 -3.921 -2.773 1.00 0.00 H new ATOM 0 HB2 ALA A 72 12.985 -5.688 -2.886 1.00 0.00 H new ATOM 0 HB3 ALA A 72 11.365 -4.965 -2.743 1.00 0.00 H new ATOM 1060 N CYS A 73 10.457 -3.863 -0.222 1.00 0.00 N ATOM 1061 CA CYS A 73 9.656 -2.806 0.380 1.00 0.00 C ATOM 1062 C CYS A 73 9.967 -2.692 1.864 1.00 0.00 C ATOM 1063 O CYS A 73 10.100 -1.590 2.397 1.00 0.00 O ATOM 1064 CB CYS A 73 8.169 -3.082 0.168 1.00 0.00 C ATOM 1065 SG CYS A 73 7.686 -3.129 -1.570 1.00 0.00 S ATOM 0 H CYS A 73 9.915 -4.646 -0.587 1.00 0.00 H new ATOM 0 HA CYS A 73 9.905 -1.861 -0.102 1.00 0.00 H new ATOM 0 HB2 CYS A 73 7.914 -4.034 0.633 1.00 0.00 H new ATOM 0 HB3 CYS A 73 7.589 -2.313 0.677 1.00 0.00 H new ATOM 0 HG CYS A 73 7.750 -1.931 -2.071 1.00 0.00 H new ATOM 1071 N TYR A 74 10.105 -3.832 2.524 1.00 0.00 N ATOM 1072 CA TYR A 74 10.430 -3.852 3.942 1.00 0.00 C ATOM 1073 C TYR A 74 11.715 -3.066 4.179 1.00 0.00 C ATOM 1074 O TYR A 74 11.831 -2.319 5.146 1.00 0.00 O ATOM 1075 CB TYR A 74 10.578 -5.303 4.418 1.00 0.00 C ATOM 1076 CG TYR A 74 10.899 -5.450 5.889 1.00 0.00 C ATOM 1077 CD1 TYR A 74 9.923 -5.250 6.857 1.00 0.00 C ATOM 1078 CD2 TYR A 74 12.175 -5.804 6.307 1.00 0.00 C ATOM 1079 CE1 TYR A 74 10.212 -5.394 8.201 1.00 0.00 C ATOM 1080 CE2 TYR A 74 12.472 -5.950 7.649 1.00 0.00 C ATOM 1081 CZ TYR A 74 11.488 -5.744 8.592 1.00 0.00 C ATOM 1082 OH TYR A 74 11.780 -5.886 9.930 1.00 0.00 O ATOM 0 H TYR A 74 9.997 -4.754 2.101 1.00 0.00 H new ATOM 0 HA TYR A 74 9.627 -3.385 4.513 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.652 -5.838 4.206 1.00 0.00 H new ATOM 0 HB3 TYR A 74 11.365 -5.784 3.837 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.923 -4.978 6.555 1.00 0.00 H new ATOM 0 HD2 TYR A 74 12.948 -5.968 5.571 1.00 0.00 H new ATOM 0 HE1 TYR A 74 9.443 -5.233 8.942 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.470 -6.224 7.957 1.00 0.00 H new ATOM 0 HH TYR A 74 12.722 -6.136 10.035 1.00 0.00 H new ATOM 1092 N LEU A 75 12.672 -3.241 3.274 1.00 0.00 N ATOM 1093 CA LEU A 75 13.959 -2.553 3.357 1.00 0.00 C ATOM 1094 C LEU A 75 13.844 -1.057 3.071 1.00 0.00 C ATOM 1095 O LEU A 75 14.374 -0.234 3.817 1.00 0.00 O ATOM 1096 CB LEU A 75 14.943 -3.173 2.370 1.00 0.00 C ATOM 1097 CG LEU A 75 15.779 -4.331 2.915 1.00 0.00 C ATOM 1098 CD1 LEU A 75 16.327 -5.173 1.774 1.00 0.00 C ATOM 1099 CD2 LEU A 75 16.912 -3.804 3.785 1.00 0.00 C ATOM 0 H LEU A 75 12.581 -3.859 2.467 1.00 0.00 H new ATOM 0 HA LEU A 75 14.316 -2.670 4.380 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.386 -3.526 1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 75 15.619 -2.393 2.019 1.00 0.00 H new ATOM 0 HG LEU A 75 15.138 -4.963 3.530 1.00 0.00 H new ATOM 0 HD11 LEU A 75 16.920 -5.993 2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 75 15.500 -5.577 1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 75 16.955 -4.553 1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 75 17.498 -4.641 4.165 1.00 0.00 H new ATOM 0 HD22 LEU A 75 17.553 -3.152 3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 75 16.497 -3.242 4.621 1.00 0.00 H new ATOM 1111 N ALA A 76 13.180 -0.709 1.974 1.00 0.00 N ATOM 1112 CA ALA A 76 13.037 0.692 1.580 1.00 0.00 C ATOM 1113 C ALA A 76 12.401 1.534 2.683 1.00 0.00 C ATOM 1114 O ALA A 76 12.878 2.627 2.987 1.00 0.00 O ATOM 1115 CB ALA A 76 12.229 0.798 0.292 1.00 0.00 C ATOM 0 H ALA A 76 12.733 -1.374 1.342 1.00 0.00 H new ATOM 0 HA ALA A 76 14.037 1.089 1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.130 1.846 0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.739 0.255 -0.503 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.239 0.369 0.447 1.00 0.00 H new ATOM 1121 N LEU A 77 11.335 1.027 3.286 1.00 0.00 N ATOM 1122 CA LEU A 77 10.653 1.748 4.359 1.00 0.00 C ATOM 1123 C LEU A 77 11.568 1.915 5.566 1.00 0.00 C ATOM 1124 O LEU A 77 11.557 2.950 6.232 1.00 0.00 O ATOM 1125 CB LEU A 77 9.401 0.992 4.786 1.00 0.00 C ATOM 1126 CG LEU A 77 8.312 0.869 3.721 1.00 0.00 C ATOM 1127 CD1 LEU A 77 7.266 -0.139 4.163 1.00 0.00 C ATOM 1128 CD2 LEU A 77 7.669 2.223 3.447 1.00 0.00 C ATOM 0 H LEU A 77 10.923 0.123 3.054 1.00 0.00 H new ATOM 0 HA LEU A 77 10.378 2.733 3.981 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.692 -0.010 5.100 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.977 1.489 5.658 1.00 0.00 H new ATOM 0 HG LEU A 77 8.768 0.519 2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.493 -0.221 3.398 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.736 -1.111 4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.816 0.190 5.100 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.897 2.112 2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.222 2.606 4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.428 2.922 3.095 1.00 0.00 H new