USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 358 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 53 GLN : amide:sc= -3.93! C(o=-3.9!,f=-6.5!) USER MOD Set 1.2: A 54 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 46 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 48 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 40 LYS NZ :NH3+ 173:sc= 0.00755 (180deg=0) USER MOD Set 3.2: A 44 TYR OH : rot 84:sc= 0.734 USER MOD Set 3.3: A 52 CYS SG : rot 150:sc= 0.86 USER MOD Single : A 28 GLN :FLIP amide:sc= -5.06! C(o=-6.2!,f=-5.1!) USER MOD Single : A 37 TYR OH : rot 120:sc= -1.21 USER MOD Single : A 39 ASN : amide:sc= -0.132 K(o=-0.13,f=-2.5!) USER MOD Single : A 42 THR OG1 : rot -26:sc= -0.102 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0132 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot -179:sc= -8.6! USER MOD ----------------------------------------------------------------- ATOM 239 N LEU A 18 -8.312 14.422 4.474 1.00 0.00 N ATOM 240 CA LEU A 18 -7.144 13.839 3.838 1.00 0.00 C ATOM 241 C LEU A 18 -6.117 13.465 4.911 1.00 0.00 C ATOM 242 O LEU A 18 -4.936 13.780 4.781 1.00 0.00 O ATOM 243 CB LEU A 18 -6.594 14.778 2.762 1.00 0.00 C ATOM 244 CG LEU A 18 -7.451 14.929 1.503 1.00 0.00 C ATOM 245 CD1 LEU A 18 -7.424 13.649 0.665 1.00 0.00 C ATOM 246 CD2 LEU A 18 -8.877 15.352 1.858 1.00 0.00 C ATOM 0 HA LEU A 18 -7.413 12.919 3.319 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.456 15.765 3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.608 14.421 2.466 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.023 15.723 0.891 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.041 13.783 -0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.399 13.432 0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.813 12.819 1.255 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.465 15.452 0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.331 14.598 2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.853 16.308 2.381 1.00 0.00 H new ATOM 257 N CYS A 19 -6.608 12.799 5.946 1.00 0.00 N ATOM 258 CA CYS A 19 -5.748 12.379 7.041 1.00 0.00 C ATOM 259 C CYS A 19 -4.716 11.392 6.489 1.00 0.00 C ATOM 260 O CYS A 19 -3.801 10.983 7.202 1.00 0.00 O ATOM 261 CB CYS A 19 -6.553 11.778 8.194 1.00 0.00 C ATOM 262 SG CYS A 19 -7.437 10.229 7.787 1.00 0.00 S ATOM 0 H CYS A 19 -7.589 12.540 6.050 1.00 0.00 H new ATOM 0 HA CYS A 19 -5.235 13.246 7.457 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -5.878 11.586 9.028 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -7.280 12.516 8.535 1.00 0.00 H new ATOM 266 N GLY A 20 -4.899 11.038 5.226 1.00 0.00 N ATOM 267 CA GLY A 20 -3.997 10.107 4.572 1.00 0.00 C ATOM 268 C GLY A 20 -2.623 10.742 4.345 1.00 0.00 C ATOM 269 O GLY A 20 -2.077 10.673 3.246 1.00 0.00 O ATOM 0 H GLY A 20 -5.659 11.380 4.638 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.891 9.209 5.181 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.420 9.796 3.617 1.00 0.00 H new ATOM 273 N ALA A 21 -2.105 11.346 5.405 1.00 0.00 N ATOM 274 CA ALA A 21 -0.806 11.993 5.336 1.00 0.00 C ATOM 275 C ALA A 21 0.246 11.087 5.979 1.00 0.00 C ATOM 276 O ALA A 21 1.442 11.253 5.745 1.00 0.00 O ATOM 277 CB ALA A 21 -0.882 13.365 6.009 1.00 0.00 C ATOM 0 H ALA A 21 -2.561 11.401 6.316 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.513 12.154 4.298 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.093 13.850 5.957 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.622 13.981 5.497 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.171 13.243 7.053 1.00 0.00 H new ATOM 283 N GLU A 22 -0.239 10.146 6.777 1.00 0.00 N ATOM 284 CA GLU A 22 0.644 9.213 7.456 1.00 0.00 C ATOM 285 C GLU A 22 0.984 8.039 6.535 1.00 0.00 C ATOM 286 O GLU A 22 2.141 7.854 6.160 1.00 0.00 O ATOM 287 CB GLU A 22 0.021 8.721 8.764 1.00 0.00 C ATOM 288 CG GLU A 22 1.101 8.422 9.806 1.00 0.00 C ATOM 289 CD GLU A 22 0.527 7.621 10.976 1.00 0.00 C ATOM 290 OE1 GLU A 22 -0.086 6.567 10.696 1.00 0.00 O ATOM 291 OE2 GLU A 22 0.713 8.079 12.124 1.00 0.00 O ATOM 0 H GLU A 22 -1.232 10.010 6.968 1.00 0.00 H new ATOM 0 HA GLU A 22 1.568 9.734 7.706 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.664 9.475 9.151 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.567 7.823 8.576 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.914 7.863 9.342 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.525 9.356 10.174 1.00 0.00 H new ATOM 296 N LEU A 23 -0.045 7.275 6.198 1.00 0.00 N ATOM 297 CA LEU A 23 0.130 6.124 5.329 1.00 0.00 C ATOM 298 C LEU A 23 1.166 6.455 4.254 1.00 0.00 C ATOM 299 O LEU A 23 1.929 5.586 3.833 1.00 0.00 O ATOM 300 CB LEU A 23 -1.218 5.669 4.765 1.00 0.00 C ATOM 301 CG LEU A 23 -2.295 6.749 4.647 1.00 0.00 C ATOM 302 CD1 LEU A 23 -2.936 7.033 6.006 1.00 0.00 C ATOM 303 CD2 LEU A 23 -1.731 8.018 4.003 1.00 0.00 C ATOM 0 H LEU A 23 -1.003 7.431 6.511 1.00 0.00 H new ATOM 0 HA LEU A 23 0.516 5.275 5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.050 5.242 3.776 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.602 4.868 5.397 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.082 6.377 3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.698 7.804 5.895 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.395 6.122 6.389 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.172 7.376 6.704 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.517 8.770 3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.915 8.404 4.614 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.359 7.785 3.005 1.00 0.00 H new ATOM 314 N VAL A 24 1.161 7.714 3.839 1.00 0.00 N ATOM 315 CA VAL A 24 2.091 8.171 2.821 1.00 0.00 C ATOM 316 C VAL A 24 3.465 8.396 3.455 1.00 0.00 C ATOM 317 O VAL A 24 4.487 8.039 2.873 1.00 0.00 O ATOM 318 CB VAL A 24 1.539 9.419 2.130 1.00 0.00 C ATOM 319 CG1 VAL A 24 0.573 10.171 3.048 1.00 0.00 C ATOM 320 CG2 VAL A 24 2.674 10.333 1.662 1.00 0.00 C ATOM 0 H VAL A 24 0.527 8.432 4.190 1.00 0.00 H new ATOM 0 HA VAL A 24 2.211 7.414 2.046 1.00 0.00 H new ATOM 0 HB VAL A 24 0.983 9.097 1.250 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.195 11.054 2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.260 9.520 3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.096 10.476 3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.255 11.213 1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.269 10.643 2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.308 9.795 0.957 1.00 0.00 H new ATOM 330 N ASP A 25 3.444 8.986 4.641 1.00 0.00 N ATOM 331 CA ASP A 25 4.675 9.262 5.361 1.00 0.00 C ATOM 332 C ASP A 25 5.265 7.949 5.877 1.00 0.00 C ATOM 333 O ASP A 25 6.475 7.842 6.072 1.00 0.00 O ATOM 334 CB ASP A 25 4.417 10.170 6.565 1.00 0.00 C ATOM 335 CG ASP A 25 5.345 11.383 6.673 1.00 0.00 C ATOM 336 OD1 ASP A 25 5.538 12.042 5.629 1.00 0.00 O ATOM 337 OD2 ASP A 25 5.838 11.622 7.796 1.00 0.00 O ATOM 0 H ASP A 25 2.594 9.281 5.121 1.00 0.00 H new ATOM 0 HA ASP A 25 5.362 9.758 4.676 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.387 10.523 6.520 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.512 9.577 7.475 1.00 0.00 H new ATOM 341 N ALA A 26 4.384 6.982 6.083 1.00 0.00 N ATOM 342 CA ALA A 26 4.804 5.679 6.573 1.00 0.00 C ATOM 343 C ALA A 26 5.682 5.002 5.519 1.00 0.00 C ATOM 344 O ALA A 26 6.801 4.586 5.814 1.00 0.00 O ATOM 345 CB ALA A 26 3.569 4.846 6.926 1.00 0.00 C ATOM 0 H ALA A 26 3.381 7.074 5.920 1.00 0.00 H new ATOM 0 HA ALA A 26 5.399 5.782 7.480 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.882 3.869 7.294 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.994 5.357 7.698 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.950 4.718 6.038 1.00 0.00 H new ATOM 351 N LEU A 27 5.142 4.912 4.313 1.00 0.00 N ATOM 352 CA LEU A 27 5.862 4.292 3.214 1.00 0.00 C ATOM 353 C LEU A 27 7.012 5.206 2.784 1.00 0.00 C ATOM 354 O LEU A 27 8.108 4.734 2.486 1.00 0.00 O ATOM 355 CB LEU A 27 4.903 3.935 2.078 1.00 0.00 C ATOM 356 CG LEU A 27 3.791 2.944 2.426 1.00 0.00 C ATOM 357 CD1 LEU A 27 2.461 3.372 1.804 1.00 0.00 C ATOM 358 CD2 LEU A 27 4.179 1.520 2.024 1.00 0.00 C ATOM 0 H LEU A 27 4.213 5.258 4.072 1.00 0.00 H new ATOM 0 HA LEU A 27 6.305 3.349 3.533 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.443 4.854 1.715 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.485 3.523 1.254 1.00 0.00 H new ATOM 0 HG LEU A 27 3.657 2.948 3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.687 2.650 2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.183 4.356 2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.564 3.415 0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.371 0.836 2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.357 1.481 0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.086 1.227 2.553 1.00 0.00 H new ATOM 369 N GLN A 28 6.722 6.499 2.766 1.00 0.00 N ATOM 370 CA GLN A 28 7.718 7.484 2.377 1.00 0.00 C ATOM 371 C GLN A 28 8.787 7.616 3.464 1.00 0.00 C ATOM 372 O GLN A 28 9.784 8.310 3.278 1.00 0.00 O ATOM 373 CB GLN A 28 7.066 8.836 2.081 1.00 0.00 C ATOM 374 CG GLN A 28 7.662 9.469 0.822 1.00 0.00 C ATOM 375 CD GLN A 28 7.896 10.968 1.020 1.00 0.00 C ATOM 376 OE1 GLN A 28 8.535 11.272 2.147 1.00 0.00 O flip ATOM 377 NE2 GLN A 28 7.521 11.794 0.205 1.00 0.00 N flip ATOM 0 H GLN A 28 5.812 6.887 3.014 1.00 0.00 H new ATOM 0 HA GLN A 28 8.200 7.142 1.461 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.992 8.705 1.953 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.206 9.505 2.930 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.604 8.980 0.576 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.991 9.310 -0.022 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.036 11.493 -0.640 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.693 12.786 0.368 1.00 0.00 H new ATOM 384 N PHE A 29 8.540 6.940 4.576 1.00 0.00 N ATOM 385 CA PHE A 29 9.468 6.973 5.693 1.00 0.00 C ATOM 386 C PHE A 29 10.471 5.820 5.608 1.00 0.00 C ATOM 387 O PHE A 29 11.680 6.045 5.583 1.00 0.00 O ATOM 388 CB PHE A 29 8.639 6.817 6.970 1.00 0.00 C ATOM 389 CG PHE A 29 9.381 6.125 8.115 1.00 0.00 C ATOM 390 CD1 PHE A 29 10.483 6.707 8.659 1.00 0.00 C ATOM 391 CD2 PHE A 29 8.938 4.930 8.588 1.00 0.00 C ATOM 392 CE1 PHE A 29 11.173 6.064 9.722 1.00 0.00 C ATOM 393 CE2 PHE A 29 9.627 4.287 9.650 1.00 0.00 C ATOM 394 CZ PHE A 29 10.731 4.869 10.195 1.00 0.00 C ATOM 0 H PHE A 29 7.710 6.366 4.727 1.00 0.00 H new ATOM 0 HA PHE A 29 10.028 7.908 5.682 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.316 7.803 7.304 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.738 6.248 6.739 1.00 0.00 H new ATOM 0 HD1 PHE A 29 10.834 7.657 8.284 1.00 0.00 H new ATOM 0 HD2 PHE A 29 8.062 4.470 8.156 1.00 0.00 H new ATOM 0 HE1 PHE A 29 12.049 6.525 10.154 1.00 0.00 H new ATOM 0 HE2 PHE A 29 9.276 3.337 10.025 1.00 0.00 H new ATOM 0 HZ PHE A 29 11.255 4.381 11.003 1.00 0.00 H new ATOM 403 N VAL A 30 9.932 4.611 5.565 1.00 0.00 N ATOM 404 CA VAL A 30 10.764 3.422 5.483 1.00 0.00 C ATOM 405 C VAL A 30 10.794 2.926 4.036 1.00 0.00 C ATOM 406 O VAL A 30 11.797 2.371 3.588 1.00 0.00 O ATOM 407 CB VAL A 30 10.263 2.364 6.468 1.00 0.00 C ATOM 408 CG1 VAL A 30 10.536 0.953 5.942 1.00 0.00 C ATOM 409 CG2 VAL A 30 10.887 2.563 7.851 1.00 0.00 C ATOM 0 H VAL A 30 8.929 4.429 5.585 1.00 0.00 H new ATOM 0 HA VAL A 30 11.790 3.652 5.769 1.00 0.00 H new ATOM 0 HB VAL A 30 9.184 2.483 6.567 1.00 0.00 H new ATOM 0 HG11 VAL A 30 10.170 0.220 6.661 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.024 0.814 4.990 1.00 0.00 H new ATOM 0 HG13 VAL A 30 11.608 0.819 5.800 1.00 0.00 H new ATOM 0 HG21 VAL A 30 10.514 1.798 8.532 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.972 2.484 7.776 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.620 3.549 8.232 1.00 0.00 H new ATOM 419 N CYS A 31 9.685 3.144 3.346 1.00 0.00 N ATOM 420 CA CYS A 31 9.573 2.725 1.959 1.00 0.00 C ATOM 421 C CYS A 31 10.501 3.600 1.116 1.00 0.00 C ATOM 422 O CYS A 31 10.971 3.177 0.061 1.00 0.00 O ATOM 423 CB CYS A 31 8.126 2.787 1.465 1.00 0.00 C ATOM 424 SG CYS A 31 7.503 1.239 0.714 1.00 0.00 S ATOM 0 H CYS A 31 8.856 3.605 3.721 1.00 0.00 H new ATOM 0 HA CYS A 31 9.876 1.682 1.866 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.482 3.052 2.303 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.041 3.589 0.732 1.00 0.00 H new ATOM 428 N GLY A 32 10.741 4.804 1.614 1.00 0.00 N ATOM 429 CA GLY A 32 11.606 5.742 0.920 1.00 0.00 C ATOM 430 C GLY A 32 10.884 7.067 0.663 1.00 0.00 C ATOM 431 O GLY A 32 9.839 7.093 0.017 1.00 0.00 O ATOM 0 H GLY A 32 10.351 5.151 2.490 1.00 0.00 H new ATOM 0 HA2 GLY A 32 12.503 5.922 1.512 1.00 0.00 H new ATOM 0 HA3 GLY A 32 11.930 5.311 -0.027 1.00 0.00 H new ATOM 435 N ASP A 33 11.471 8.135 1.184 1.00 0.00 N ATOM 436 CA ASP A 33 10.898 9.459 1.020 1.00 0.00 C ATOM 437 C ASP A 33 10.371 9.609 -0.409 1.00 0.00 C ATOM 438 O ASP A 33 9.529 10.464 -0.678 1.00 0.00 O ATOM 439 CB ASP A 33 11.947 10.548 1.253 1.00 0.00 C ATOM 440 CG ASP A 33 13.321 10.263 0.641 1.00 0.00 C ATOM 441 OD1 ASP A 33 13.921 9.243 1.044 1.00 0.00 O ATOM 442 OD2 ASP A 33 13.739 11.072 -0.216 1.00 0.00 O ATOM 0 H ASP A 33 12.338 8.109 1.720 1.00 0.00 H new ATOM 0 HA ASP A 33 10.095 9.570 1.749 1.00 0.00 H new ATOM 0 HB2 ASP A 33 11.572 11.486 0.845 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.067 10.692 2.327 1.00 0.00 H new ATOM 446 N ARG A 34 10.891 8.765 -1.288 1.00 0.00 N ATOM 447 CA ARG A 34 10.484 8.792 -2.683 1.00 0.00 C ATOM 448 C ARG A 34 8.996 8.456 -2.808 1.00 0.00 C ATOM 449 O ARG A 34 8.408 8.619 -3.876 1.00 0.00 O ATOM 450 CB ARG A 34 11.296 7.797 -3.513 1.00 0.00 C ATOM 451 CG ARG A 34 11.252 6.399 -2.892 1.00 0.00 C ATOM 452 CD ARG A 34 10.529 5.413 -3.811 1.00 0.00 C ATOM 453 NE ARG A 34 9.697 4.490 -3.008 1.00 0.00 N ATOM 454 CZ ARG A 34 10.155 3.366 -2.441 1.00 0.00 C ATOM 455 NH1 ARG A 34 11.442 3.019 -2.585 1.00 0.00 N ATOM 456 NH2 ARG A 34 9.329 2.588 -1.729 1.00 0.00 N ATOM 0 H ARG A 34 11.591 8.058 -1.061 1.00 0.00 H new ATOM 0 HA ARG A 34 10.666 9.797 -3.062 1.00 0.00 H new ATOM 0 HB2 ARG A 34 10.903 7.760 -4.529 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.330 8.135 -3.583 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.267 6.049 -2.704 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.745 6.441 -1.928 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.904 5.956 -4.520 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.255 4.847 -4.394 1.00 0.00 H new ATOM 0 HE ARG A 34 8.713 4.724 -2.878 1.00 0.00 H new ATOM 0 HH11 ARG A 34 12.072 3.611 -3.126 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.791 2.163 -2.153 1.00 0.00 H new ATOM 0 HH21 ARG A 34 8.350 2.851 -1.618 1.00 0.00 H new ATOM 0 HH22 ARG A 34 9.679 1.732 -1.298 1.00 0.00 H new ATOM 467 N GLY A 35 8.432 7.992 -1.703 1.00 0.00 N ATOM 468 CA GLY A 35 7.025 7.632 -1.676 1.00 0.00 C ATOM 469 C GLY A 35 6.775 6.339 -2.455 1.00 0.00 C ATOM 470 O GLY A 35 7.353 6.131 -3.521 1.00 0.00 O ATOM 0 H GLY A 35 8.924 7.857 -0.820 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.697 7.508 -0.644 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.431 8.439 -2.104 1.00 0.00 H new ATOM 474 N PHE A 36 5.913 5.504 -1.893 1.00 0.00 N ATOM 475 CA PHE A 36 5.580 4.238 -2.523 1.00 0.00 C ATOM 476 C PHE A 36 4.236 4.322 -3.249 1.00 0.00 C ATOM 477 O PHE A 36 3.516 5.312 -3.117 1.00 0.00 O ATOM 478 CB PHE A 36 5.476 3.197 -1.405 1.00 0.00 C ATOM 479 CG PHE A 36 4.601 1.992 -1.756 1.00 0.00 C ATOM 480 CD1 PHE A 36 5.129 0.944 -2.442 1.00 0.00 C ATOM 481 CD2 PHE A 36 3.294 1.970 -1.380 1.00 0.00 C ATOM 482 CE1 PHE A 36 4.315 -0.173 -2.768 1.00 0.00 C ATOM 483 CE2 PHE A 36 2.480 0.853 -1.705 1.00 0.00 C ATOM 484 CZ PHE A 36 3.008 -0.195 -2.392 1.00 0.00 C ATOM 0 H PHE A 36 5.436 5.680 -1.009 1.00 0.00 H new ATOM 0 HA PHE A 36 6.343 3.976 -3.256 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.477 2.846 -1.156 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.075 3.677 -0.512 1.00 0.00 H new ATOM 0 HD1 PHE A 36 6.167 0.961 -2.739 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.875 2.802 -0.834 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.734 -1.005 -3.315 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.442 0.836 -1.407 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.389 -1.045 -2.639 1.00 0.00 H new ATOM 493 N TYR A 37 3.938 3.273 -4.001 1.00 0.00 N ATOM 494 CA TYR A 37 2.694 3.216 -4.748 1.00 0.00 C ATOM 495 C TYR A 37 1.540 2.749 -3.858 1.00 0.00 C ATOM 496 O TYR A 37 1.295 1.551 -3.732 1.00 0.00 O ATOM 497 CB TYR A 37 2.915 2.188 -5.859 1.00 0.00 C ATOM 498 CG TYR A 37 1.834 2.197 -6.941 1.00 0.00 C ATOM 499 CD1 TYR A 37 1.602 3.343 -7.675 1.00 0.00 C ATOM 500 CD2 TYR A 37 1.089 1.061 -7.183 1.00 0.00 C ATOM 501 CE1 TYR A 37 0.585 3.352 -8.694 1.00 0.00 C ATOM 502 CE2 TYR A 37 0.071 1.069 -8.201 1.00 0.00 C ATOM 503 CZ TYR A 37 -0.131 2.215 -8.907 1.00 0.00 C ATOM 504 OH TYR A 37 -1.092 2.224 -9.868 1.00 0.00 O ATOM 0 H TYR A 37 4.538 2.455 -4.109 1.00 0.00 H new ATOM 0 HA TYR A 37 2.435 4.201 -5.136 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.882 2.375 -6.325 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.962 1.194 -5.415 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.184 4.233 -7.485 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.270 0.165 -6.608 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.395 4.241 -9.276 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.519 0.186 -8.400 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.883 1.548 -10.546 1.00 0.00 H new ATOM 513 N PHE A 38 0.862 3.721 -3.266 1.00 0.00 N ATOM 514 CA PHE A 38 -0.260 3.424 -2.392 1.00 0.00 C ATOM 515 C PHE A 38 -1.452 2.892 -3.190 1.00 0.00 C ATOM 516 O PHE A 38 -1.394 1.793 -3.741 1.00 0.00 O ATOM 517 CB PHE A 38 -0.660 4.737 -1.715 1.00 0.00 C ATOM 518 CG PHE A 38 0.299 5.185 -0.611 1.00 0.00 C ATOM 519 CD1 PHE A 38 1.632 5.279 -0.864 1.00 0.00 C ATOM 520 CD2 PHE A 38 -0.181 5.491 0.624 1.00 0.00 C ATOM 521 CE1 PHE A 38 2.521 5.695 0.161 1.00 0.00 C ATOM 522 CE2 PHE A 38 0.708 5.907 1.650 1.00 0.00 C ATOM 523 CZ PHE A 38 2.041 6.000 1.397 1.00 0.00 C ATOM 0 H PHE A 38 1.068 4.714 -3.374 1.00 0.00 H new ATOM 0 HA PHE A 38 0.026 2.662 -1.666 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.719 5.520 -2.471 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.658 4.626 -1.292 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.014 5.037 -1.845 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.240 5.418 0.825 1.00 0.00 H new ATOM 0 HE1 PHE A 38 3.579 5.770 -0.040 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.326 6.149 2.631 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.718 6.316 2.177 1.00 0.00 H new ATOM 532 N ASN A 39 -2.505 3.695 -3.227 1.00 0.00 N ATOM 533 CA ASN A 39 -3.709 3.319 -3.950 1.00 0.00 C ATOM 534 C ASN A 39 -3.482 3.520 -5.449 1.00 0.00 C ATOM 535 O ASN A 39 -2.341 3.571 -5.907 1.00 0.00 O ATOM 536 CB ASN A 39 -4.896 4.187 -3.530 1.00 0.00 C ATOM 537 CG ASN A 39 -6.096 3.323 -3.138 1.00 0.00 C ATOM 538 OD1 ASN A 39 -6.242 2.189 -3.563 1.00 0.00 O ATOM 539 ND2 ASN A 39 -6.943 3.921 -2.305 1.00 0.00 N ATOM 0 H ASN A 39 -2.550 4.605 -2.768 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.927 2.275 -3.723 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.609 4.820 -2.690 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.173 4.851 -4.349 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.776 3.428 -1.983 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.760 4.873 -1.988 1.00 0.00 H new ATOM 545 N LYS A 40 -4.586 3.629 -6.172 1.00 0.00 N ATOM 546 CA LYS A 40 -4.523 3.823 -7.611 1.00 0.00 C ATOM 547 C LYS A 40 -4.773 5.298 -7.935 1.00 0.00 C ATOM 548 O LYS A 40 -5.902 5.774 -7.842 1.00 0.00 O ATOM 549 CB LYS A 40 -5.481 2.867 -8.323 1.00 0.00 C ATOM 550 CG LYS A 40 -4.807 2.217 -9.534 1.00 0.00 C ATOM 551 CD LYS A 40 -4.702 0.701 -9.356 1.00 0.00 C ATOM 552 CE LYS A 40 -3.285 0.293 -8.949 1.00 0.00 C ATOM 553 NZ LYS A 40 -3.200 -1.172 -8.762 1.00 0.00 N ATOM 0 H LYS A 40 -5.530 3.587 -5.788 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.529 3.578 -7.984 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.813 2.095 -7.629 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.370 3.410 -8.645 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.376 2.442 -10.436 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.812 2.640 -9.671 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.411 0.370 -8.597 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.975 0.202 -10.286 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.576 0.609 -9.714 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.006 0.800 -8.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.209 -1.445 -8.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.772 -1.451 -7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.559 -1.652 -9.612 1.00 0.00 H new ATOM 563 N PRO A 41 -3.670 5.997 -8.316 1.00 0.00 N ATOM 564 CA PRO A 41 -3.759 7.408 -8.653 1.00 0.00 C ATOM 565 C PRO A 41 -4.402 7.604 -10.028 1.00 0.00 C ATOM 566 O PRO A 41 -4.585 8.734 -10.475 1.00 0.00 O ATOM 567 CB PRO A 41 -2.328 7.918 -8.588 1.00 0.00 C ATOM 568 CG PRO A 41 -1.442 6.686 -8.674 1.00 0.00 C ATOM 569 CD PRO A 41 -2.316 5.465 -8.436 1.00 0.00 C ATOM 0 HA PRO A 41 -4.398 7.965 -7.968 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.121 8.606 -9.408 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.150 8.463 -7.661 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.963 6.628 -9.651 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.646 6.736 -7.931 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.240 4.757 -9.261 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.017 4.934 -7.532 1.00 0.00 H new ATOM 574 N THR A 42 -4.725 6.485 -10.659 1.00 0.00 N ATOM 575 CA THR A 42 -5.344 6.519 -11.973 1.00 0.00 C ATOM 576 C THR A 42 -6.054 5.196 -12.263 1.00 0.00 C ATOM 577 O THR A 42 -6.032 4.282 -11.440 1.00 0.00 O ATOM 578 CB THR A 42 -4.260 6.864 -12.996 1.00 0.00 C ATOM 579 OG1 THR A 42 -3.807 8.156 -12.599 1.00 0.00 O ATOM 580 CG2 THR A 42 -4.829 7.085 -14.400 1.00 0.00 C ATOM 0 H THR A 42 -4.570 5.549 -10.285 1.00 0.00 H new ATOM 0 HA THR A 42 -6.118 7.285 -12.026 1.00 0.00 H new ATOM 0 HB THR A 42 -3.521 6.064 -13.025 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.520 8.617 -12.110 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.018 7.327 -15.087 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.331 6.178 -14.736 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.543 7.908 -14.378 1.00 0.00 H new ATOM 588 N GLY A 43 -6.665 5.134 -13.437 1.00 0.00 N ATOM 589 CA GLY A 43 -7.381 3.936 -13.846 1.00 0.00 C ATOM 590 C GLY A 43 -6.677 2.677 -13.337 1.00 0.00 C ATOM 591 O GLY A 43 -5.473 2.692 -13.089 1.00 0.00 O ATOM 0 H GLY A 43 -6.679 5.893 -14.118 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.400 3.968 -13.461 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.452 3.903 -14.933 1.00 0.00 H new ATOM 595 N TYR A 44 -7.460 1.617 -13.197 1.00 0.00 N ATOM 596 CA TYR A 44 -6.927 0.351 -12.722 1.00 0.00 C ATOM 597 C TYR A 44 -6.271 -0.430 -13.863 1.00 0.00 C ATOM 598 O TYR A 44 -6.515 -1.625 -14.022 1.00 0.00 O ATOM 599 CB TYR A 44 -8.127 -0.442 -12.201 1.00 0.00 C ATOM 600 CG TYR A 44 -7.944 -0.986 -10.782 1.00 0.00 C ATOM 601 CD1 TYR A 44 -7.090 -2.046 -10.554 1.00 0.00 C ATOM 602 CD2 TYR A 44 -8.633 -0.416 -9.730 1.00 0.00 C ATOM 603 CE1 TYR A 44 -6.918 -2.557 -9.219 1.00 0.00 C ATOM 604 CE2 TYR A 44 -8.461 -0.927 -8.396 1.00 0.00 C ATOM 605 CZ TYR A 44 -7.612 -1.973 -8.206 1.00 0.00 C ATOM 606 OH TYR A 44 -7.450 -2.456 -6.945 1.00 0.00 O ATOM 0 H TYR A 44 -8.459 1.609 -13.404 1.00 0.00 H new ATOM 0 HA TYR A 44 -6.170 0.516 -11.955 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -9.009 0.197 -12.223 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -8.320 -1.275 -12.877 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.551 -2.492 -11.377 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -9.301 0.414 -9.908 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -6.253 -3.386 -9.026 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.994 -0.490 -7.564 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.653 -2.054 -6.541 1.00 0.00 H new ATOM 615 N GLY A 45 -5.452 0.277 -14.627 1.00 0.00 N ATOM 616 CA GLY A 45 -4.759 -0.335 -15.748 1.00 0.00 C ATOM 617 C GLY A 45 -4.275 -1.742 -15.392 1.00 0.00 C ATOM 618 O GLY A 45 -4.134 -2.595 -16.267 1.00 0.00 O ATOM 0 H GLY A 45 -5.253 1.268 -14.492 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.425 -0.383 -16.609 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.909 0.284 -16.036 1.00 0.00 H new ATOM 622 N SER A 46 -4.034 -1.942 -14.104 1.00 0.00 N ATOM 623 CA SER A 46 -3.569 -3.231 -13.620 1.00 0.00 C ATOM 624 C SER A 46 -4.755 -4.064 -13.128 1.00 0.00 C ATOM 625 O SER A 46 -4.951 -4.218 -11.924 1.00 0.00 O ATOM 626 CB SER A 46 -2.540 -3.061 -12.502 1.00 0.00 C ATOM 627 OG SER A 46 -1.814 -4.263 -12.257 1.00 0.00 O ATOM 0 H SER A 46 -4.152 -1.233 -13.381 1.00 0.00 H new ATOM 0 HA SER A 46 -3.085 -3.752 -14.446 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.844 -2.265 -12.768 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.046 -2.750 -11.588 1.00 0.00 H new ATOM 0 HG SER A 46 -1.166 -4.113 -11.537 1.00 0.00 H new ATOM 632 N SER A 47 -5.514 -4.579 -14.085 1.00 0.00 N ATOM 633 CA SER A 47 -6.675 -5.391 -13.763 1.00 0.00 C ATOM 634 C SER A 47 -6.228 -6.745 -13.207 1.00 0.00 C ATOM 635 O SER A 47 -6.380 -7.771 -13.867 1.00 0.00 O ATOM 636 CB SER A 47 -7.565 -5.590 -14.992 1.00 0.00 C ATOM 637 OG SER A 47 -6.804 -5.862 -16.165 1.00 0.00 O ATOM 0 H SER A 47 -5.347 -4.450 -15.083 1.00 0.00 H new ATOM 0 HA SER A 47 -7.259 -4.869 -13.005 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.256 -6.413 -14.809 1.00 0.00 H new ATOM 0 HB3 SER A 47 -8.169 -4.696 -15.151 1.00 0.00 H new ATOM 0 HG SER A 47 -7.409 -5.984 -16.926 1.00 0.00 H new ATOM 642 N SER A 48 -5.686 -6.702 -11.999 1.00 0.00 N ATOM 643 CA SER A 48 -5.215 -7.913 -11.347 1.00 0.00 C ATOM 644 C SER A 48 -5.765 -7.986 -9.921 1.00 0.00 C ATOM 645 O SER A 48 -6.336 -7.018 -9.422 1.00 0.00 O ATOM 646 CB SER A 48 -3.687 -7.971 -11.330 1.00 0.00 C ATOM 647 OG SER A 48 -3.127 -7.700 -12.613 1.00 0.00 O ATOM 0 H SER A 48 -5.562 -5.848 -11.455 1.00 0.00 H new ATOM 0 HA SER A 48 -5.577 -8.770 -11.914 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.305 -7.249 -10.608 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.366 -8.957 -10.995 1.00 0.00 H new ATOM 0 HG SER A 48 -2.150 -7.745 -12.559 1.00 0.00 H new ATOM 652 N ARG A 49 -5.574 -9.144 -9.306 1.00 0.00 N ATOM 653 CA ARG A 49 -6.044 -9.356 -7.948 1.00 0.00 C ATOM 654 C ARG A 49 -5.890 -8.075 -7.126 1.00 0.00 C ATOM 655 O ARG A 49 -4.776 -7.687 -6.777 1.00 0.00 O ATOM 656 CB ARG A 49 -5.269 -10.487 -7.267 1.00 0.00 C ATOM 657 CG ARG A 49 -5.542 -11.828 -7.951 1.00 0.00 C ATOM 658 CD ARG A 49 -6.861 -12.433 -7.463 1.00 0.00 C ATOM 659 NE ARG A 49 -7.995 -11.834 -8.201 1.00 0.00 N ATOM 660 CZ ARG A 49 -8.294 -12.114 -9.477 1.00 0.00 C ATOM 661 NH1 ARG A 49 -7.545 -12.986 -10.164 1.00 0.00 N ATOM 662 NH2 ARG A 49 -9.343 -11.522 -10.064 1.00 0.00 N ATOM 0 H ARG A 49 -5.100 -9.945 -9.723 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.097 -9.633 -8.002 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.201 -10.270 -7.297 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.553 -10.546 -6.216 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.579 -11.689 -9.031 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.723 -12.518 -7.747 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.851 -13.513 -7.609 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.978 -12.257 -6.394 1.00 0.00 H new ATOM 0 HE ARG A 49 -8.587 -11.166 -7.707 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -6.747 -13.437 -9.716 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.772 -13.199 -11.135 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.913 -10.859 -9.540 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -9.571 -11.735 -11.035 1.00 0.00 H new ATOM 673 N ARG A 50 -7.025 -7.452 -6.842 1.00 0.00 N ATOM 674 CA ARG A 50 -7.030 -6.222 -6.068 1.00 0.00 C ATOM 675 C ARG A 50 -5.930 -6.258 -5.005 1.00 0.00 C ATOM 676 O ARG A 50 -6.016 -7.020 -4.044 1.00 0.00 O ATOM 677 CB ARG A 50 -8.382 -6.006 -5.386 1.00 0.00 C ATOM 678 CG ARG A 50 -8.694 -7.147 -4.414 1.00 0.00 C ATOM 679 CD ARG A 50 -10.192 -7.218 -4.117 1.00 0.00 C ATOM 680 NE ARG A 50 -10.454 -8.238 -3.076 1.00 0.00 N ATOM 681 CZ ARG A 50 -11.654 -8.457 -2.524 1.00 0.00 C ATOM 682 NH1 ARG A 50 -12.711 -7.730 -2.908 1.00 0.00 N ATOM 683 NH2 ARG A 50 -11.797 -9.404 -1.586 1.00 0.00 N ATOM 0 H ARG A 50 -7.947 -7.776 -7.134 1.00 0.00 H new ATOM 0 HA ARG A 50 -6.847 -5.397 -6.756 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.375 -5.058 -4.849 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -9.167 -5.940 -6.139 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.358 -8.093 -4.838 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.142 -7.000 -3.486 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -10.551 -6.245 -3.783 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -10.740 -7.465 -5.026 1.00 0.00 H new ATOM 0 HE ARG A 50 -9.671 -8.810 -2.759 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -12.602 -7.009 -3.621 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -13.625 -7.897 -2.487 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -10.992 -9.957 -1.293 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -12.711 -9.571 -1.165 1.00 0.00 H new ATOM 694 N ALA A 51 -4.920 -5.426 -5.215 1.00 0.00 N ATOM 695 CA ALA A 51 -3.804 -5.354 -4.287 1.00 0.00 C ATOM 696 C ALA A 51 -3.912 -4.068 -3.466 1.00 0.00 C ATOM 697 O ALA A 51 -3.710 -4.083 -2.253 1.00 0.00 O ATOM 698 CB ALA A 51 -2.488 -5.442 -5.062 1.00 0.00 C ATOM 0 H ALA A 51 -4.851 -4.796 -6.014 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.829 -6.193 -3.591 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.651 -5.388 -4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.448 -6.386 -5.605 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.426 -4.614 -5.769 1.00 0.00 H new ATOM 704 N CYS A 52 -4.231 -2.985 -4.160 1.00 0.00 N ATOM 705 CA CYS A 52 -4.367 -1.693 -3.510 1.00 0.00 C ATOM 706 C CYS A 52 -5.693 -1.678 -2.746 1.00 0.00 C ATOM 707 O CYS A 52 -5.993 -0.719 -2.036 1.00 0.00 O ATOM 708 CB CYS A 52 -4.274 -0.542 -4.514 1.00 0.00 C ATOM 709 SG CYS A 52 -5.475 -0.797 -5.872 1.00 0.00 S ATOM 0 H CYS A 52 -4.399 -2.976 -5.166 1.00 0.00 H new ATOM 0 HA CYS A 52 -3.544 -1.546 -2.811 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -4.474 0.405 -4.013 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.263 -0.482 -4.918 1.00 0.00 H new ATOM 0 HG CYS A 52 -5.862 0.356 -6.331 1.00 0.00 H new ATOM 714 N GLN A 53 -6.451 -2.750 -2.918 1.00 0.00 N ATOM 715 CA GLN A 53 -7.736 -2.873 -2.253 1.00 0.00 C ATOM 716 C GLN A 53 -7.650 -2.330 -0.826 1.00 0.00 C ATOM 717 O GLN A 53 -8.619 -1.776 -0.308 1.00 0.00 O ATOM 718 CB GLN A 53 -8.222 -4.323 -2.259 1.00 0.00 C ATOM 719 CG GLN A 53 -8.054 -4.964 -0.879 1.00 0.00 C ATOM 720 CD GLN A 53 -9.156 -4.501 0.077 1.00 0.00 C ATOM 721 OE1 GLN A 53 -10.044 -3.744 -0.278 1.00 0.00 O ATOM 722 NE2 GLN A 53 -9.049 -4.999 1.305 1.00 0.00 N ATOM 0 H GLN A 53 -6.199 -3.542 -3.509 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.465 -2.279 -2.804 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.271 -4.358 -2.555 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.663 -4.895 -3.000 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.081 -6.050 -0.972 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.078 -4.703 -0.469 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.280 -5.628 1.535 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.736 -4.752 2.017 1.00 0.00 H new ATOM 729 N THR A 54 -6.480 -2.508 -0.229 1.00 0.00 N ATOM 730 CA THR A 54 -6.255 -2.043 1.130 1.00 0.00 C ATOM 731 C THR A 54 -5.735 -0.604 1.121 1.00 0.00 C ATOM 732 O THR A 54 -4.901 -0.236 1.948 1.00 0.00 O ATOM 733 CB THR A 54 -5.306 -3.028 1.815 1.00 0.00 C ATOM 734 OG1 THR A 54 -6.170 -4.018 2.364 1.00 0.00 O ATOM 735 CG2 THR A 54 -4.613 -2.419 3.036 1.00 0.00 C ATOM 0 H THR A 54 -5.678 -2.967 -0.661 1.00 0.00 H new ATOM 0 HA THR A 54 -7.184 -2.016 1.699 1.00 0.00 H new ATOM 0 HB THR A 54 -4.554 -3.365 1.101 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.636 -4.698 2.826 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.951 -3.159 3.485 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.031 -1.550 2.728 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.363 -2.113 3.765 1.00 0.00 H new ATOM 743 N GLY A 55 -6.247 0.171 0.176 1.00 0.00 N ATOM 744 CA GLY A 55 -5.845 1.562 0.048 1.00 0.00 C ATOM 745 C GLY A 55 -5.187 2.062 1.336 1.00 0.00 C ATOM 746 O GLY A 55 -5.867 2.559 2.233 1.00 0.00 O ATOM 0 H GLY A 55 -6.937 -0.138 -0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.150 1.669 -0.785 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.715 2.176 -0.182 1.00 0.00 H new ATOM 750 N ILE A 56 -3.871 1.916 1.387 1.00 0.00 N ATOM 751 CA ILE A 56 -3.114 2.347 2.550 1.00 0.00 C ATOM 752 C ILE A 56 -3.403 3.824 2.822 1.00 0.00 C ATOM 753 O ILE A 56 -2.946 4.376 3.822 1.00 0.00 O ATOM 754 CB ILE A 56 -1.628 2.034 2.367 1.00 0.00 C ATOM 755 CG1 ILE A 56 -1.145 1.030 3.417 1.00 0.00 C ATOM 756 CG2 ILE A 56 -0.793 3.316 2.373 1.00 0.00 C ATOM 757 CD1 ILE A 56 -1.769 -0.347 3.187 1.00 0.00 C ATOM 0 H ILE A 56 -3.309 1.505 0.641 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.426 1.793 3.435 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.495 1.568 1.391 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.059 0.952 3.378 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.403 1.388 4.414 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.260 3.065 2.241 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.116 3.965 1.559 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.927 3.833 3.323 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.409 -1.041 3.947 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.854 -0.270 3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.489 -0.713 2.199 1.00 0.00 H new ATOM 768 N VAL A 57 -4.159 4.423 1.914 1.00 0.00 N ATOM 769 CA VAL A 57 -4.514 5.826 2.044 1.00 0.00 C ATOM 770 C VAL A 57 -6.001 5.942 2.383 1.00 0.00 C ATOM 771 O VAL A 57 -6.379 6.693 3.281 1.00 0.00 O ATOM 772 CB VAL A 57 -4.131 6.582 0.770 1.00 0.00 C ATOM 773 CG1 VAL A 57 -3.076 7.651 1.063 1.00 0.00 C ATOM 774 CG2 VAL A 57 -3.648 5.619 -0.316 1.00 0.00 C ATOM 0 H VAL A 57 -4.536 3.963 1.085 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.958 6.287 2.860 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.024 7.085 0.398 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.822 8.173 0.141 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.471 8.364 1.787 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.182 7.178 1.471 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.382 6.183 -1.210 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -2.774 5.075 0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.443 4.912 -0.555 1.00 0.00 H new ATOM 784 N ASP A 58 -6.805 5.188 1.648 1.00 0.00 N ATOM 785 CA ASP A 58 -8.242 5.196 1.860 1.00 0.00 C ATOM 786 C ASP A 58 -8.608 4.124 2.888 1.00 0.00 C ATOM 787 O ASP A 58 -9.549 4.296 3.661 1.00 0.00 O ATOM 788 CB ASP A 58 -8.992 4.883 0.564 1.00 0.00 C ATOM 789 CG ASP A 58 -10.408 5.456 0.482 1.00 0.00 C ATOM 790 OD1 ASP A 58 -11.311 4.825 1.071 1.00 0.00 O ATOM 791 OD2 ASP A 58 -10.555 6.513 -0.170 1.00 0.00 O ATOM 0 H ASP A 58 -6.488 4.567 0.904 1.00 0.00 H new ATOM 0 HA ASP A 58 -8.525 6.189 2.210 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.412 5.266 -0.275 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.047 3.801 0.446 1.00 0.00 H new ATOM 795 N GLU A 59 -7.844 3.042 2.865 1.00 0.00 N ATOM 796 CA GLU A 59 -8.076 1.942 3.786 1.00 0.00 C ATOM 797 C GLU A 59 -7.359 2.200 5.113 1.00 0.00 C ATOM 798 O GLU A 59 -7.739 1.650 6.145 1.00 0.00 O ATOM 799 CB GLU A 59 -7.633 0.612 3.174 1.00 0.00 C ATOM 800 CG GLU A 59 -7.932 -0.554 4.120 1.00 0.00 C ATOM 801 CD GLU A 59 -9.032 -1.452 3.552 1.00 0.00 C ATOM 802 OE1 GLU A 59 -9.197 -1.435 2.313 1.00 0.00 O ATOM 803 OE2 GLU A 59 -9.684 -2.137 4.369 1.00 0.00 O ATOM 0 H GLU A 59 -7.064 2.903 2.223 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.147 1.877 3.980 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.146 0.456 2.225 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.565 0.645 2.958 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.026 -1.139 4.280 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.238 -0.169 5.093 1.00 0.00 H new ATOM 808 N CYS A 60 -6.335 3.039 5.042 1.00 0.00 N ATOM 809 CA CYS A 60 -5.561 3.376 6.224 1.00 0.00 C ATOM 810 C CYS A 60 -6.328 4.441 7.012 1.00 0.00 C ATOM 811 O CYS A 60 -6.544 4.294 8.214 1.00 0.00 O ATOM 812 CB CYS A 60 -4.149 3.841 5.863 1.00 0.00 C ATOM 813 SG CYS A 60 -2.995 3.962 7.279 1.00 0.00 S ATOM 0 H CYS A 60 -6.024 3.495 4.184 1.00 0.00 H new ATOM 0 HA CYS A 60 -5.433 2.488 6.843 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -3.731 3.151 5.130 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.215 4.817 5.382 1.00 0.00 H new ATOM 817 N CYS A 61 -6.719 5.489 6.303 1.00 0.00 N ATOM 818 CA CYS A 61 -7.457 6.578 6.920 1.00 0.00 C ATOM 819 C CYS A 61 -8.769 6.018 7.471 1.00 0.00 C ATOM 820 O CYS A 61 -9.258 6.473 8.503 1.00 0.00 O ATOM 821 CB CYS A 61 -7.696 7.728 5.938 1.00 0.00 C ATOM 822 SG CYS A 61 -6.806 9.276 6.339 1.00 0.00 S ATOM 0 H CYS A 61 -6.539 5.607 5.306 1.00 0.00 H new ATOM 0 HA CYS A 61 -6.871 7.000 7.737 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.400 7.403 4.941 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -8.765 7.939 5.900 1.00 0.00 H new ATOM 826 N PHE A 62 -9.301 5.035 6.759 1.00 0.00 N ATOM 827 CA PHE A 62 -10.547 4.406 7.165 1.00 0.00 C ATOM 828 C PHE A 62 -10.291 3.275 8.162 1.00 0.00 C ATOM 829 O PHE A 62 -11.001 3.147 9.158 1.00 0.00 O ATOM 830 CB PHE A 62 -11.186 3.824 5.902 1.00 0.00 C ATOM 831 CG PHE A 62 -12.487 3.061 6.158 1.00 0.00 C ATOM 832 CD1 PHE A 62 -13.508 3.665 6.824 1.00 0.00 C ATOM 833 CD2 PHE A 62 -12.623 1.781 5.721 1.00 0.00 C ATOM 834 CE1 PHE A 62 -14.717 2.958 7.062 1.00 0.00 C ATOM 835 CE2 PHE A 62 -13.831 1.074 5.959 1.00 0.00 C ATOM 836 CZ PHE A 62 -14.853 1.677 6.624 1.00 0.00 C ATOM 0 H PHE A 62 -8.892 4.659 5.904 1.00 0.00 H new ATOM 0 HA PHE A 62 -11.194 5.138 7.647 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -11.384 4.635 5.201 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.473 3.154 5.422 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -13.399 4.682 7.172 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -11.812 1.302 5.193 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -15.528 3.437 7.590 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -13.939 0.057 5.612 1.00 0.00 H new ATOM 0 HZ PHE A 62 -15.772 1.139 6.804 1.00 0.00 H new ATOM 845 N ARG A 63 -9.275 2.480 7.858 1.00 0.00 N ATOM 846 CA ARG A 63 -8.917 1.363 8.716 1.00 0.00 C ATOM 847 C ARG A 63 -7.591 1.643 9.427 1.00 0.00 C ATOM 848 O ARG A 63 -6.521 1.389 8.877 1.00 0.00 O ATOM 849 CB ARG A 63 -8.790 0.069 7.909 1.00 0.00 C ATOM 850 CG ARG A 63 -9.502 -1.087 8.614 1.00 0.00 C ATOM 851 CD ARG A 63 -10.336 -1.903 7.624 1.00 0.00 C ATOM 852 NE ARG A 63 -9.997 -3.339 7.738 1.00 0.00 N ATOM 853 CZ ARG A 63 -8.982 -3.924 7.087 1.00 0.00 C ATOM 854 NH1 ARG A 63 -8.201 -3.200 6.273 1.00 0.00 N ATOM 855 NH2 ARG A 63 -8.748 -5.233 7.251 1.00 0.00 N ATOM 0 H ARG A 63 -8.689 2.587 7.030 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.711 1.243 9.453 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -9.216 0.212 6.916 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.737 -0.177 7.772 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.767 -1.733 9.094 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -10.146 -0.696 9.402 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.398 -1.755 7.822 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.150 -1.557 6.607 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.571 -3.919 8.350 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.379 -2.203 6.149 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.429 -3.646 5.778 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.342 -5.784 7.871 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -7.976 -5.679 6.756 1.00 0.00 H new ATOM 866 N SER A 64 -7.706 2.165 10.640 1.00 0.00 N ATOM 867 CA SER A 64 -6.531 2.483 11.433 1.00 0.00 C ATOM 868 C SER A 64 -5.372 1.564 11.040 1.00 0.00 C ATOM 869 O SER A 64 -5.293 0.427 11.500 1.00 0.00 O ATOM 870 CB SER A 64 -6.825 2.356 12.929 1.00 0.00 C ATOM 871 OG SER A 64 -6.671 3.599 13.610 1.00 0.00 O ATOM 0 H SER A 64 -8.595 2.376 11.093 1.00 0.00 H new ATOM 0 HA SER A 64 -6.252 3.517 11.232 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.842 1.989 13.069 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.156 1.616 13.369 1.00 0.00 H new ATOM 0 HG SER A 64 -6.869 3.477 14.562 1.00 0.00 H new ATOM 876 N CYS A 65 -4.499 2.095 10.194 1.00 0.00 N ATOM 877 CA CYS A 65 -3.348 1.338 9.735 1.00 0.00 C ATOM 878 C CYS A 65 -2.084 2.126 10.086 1.00 0.00 C ATOM 879 O CYS A 65 -1.702 3.046 9.364 1.00 0.00 O ATOM 880 CB CYS A 65 -3.433 1.031 8.239 1.00 0.00 C ATOM 881 SG CYS A 65 -2.397 2.100 7.175 1.00 0.00 S ATOM 0 H CYS A 65 -4.567 3.040 9.816 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.322 0.370 10.236 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.143 -0.007 8.079 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.472 1.124 7.922 1.00 0.00 H new ATOM 885 N ASP A 66 -1.470 1.735 11.192 1.00 0.00 N ATOM 886 CA ASP A 66 -0.257 2.394 11.647 1.00 0.00 C ATOM 887 C ASP A 66 0.811 2.297 10.555 1.00 0.00 C ATOM 888 O ASP A 66 0.550 2.618 9.397 1.00 0.00 O ATOM 889 CB ASP A 66 0.294 1.725 12.908 1.00 0.00 C ATOM 890 CG ASP A 66 -0.718 1.550 14.042 1.00 0.00 C ATOM 891 OD1 ASP A 66 -1.383 2.557 14.370 1.00 0.00 O ATOM 892 OD2 ASP A 66 -0.806 0.413 14.555 1.00 0.00 O ATOM 0 H ASP A 66 -1.789 0.970 11.787 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.500 3.433 11.868 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.688 0.745 12.639 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.133 2.315 13.277 1.00 0.00 H new ATOM 896 N LEU A 67 1.991 1.853 10.964 1.00 0.00 N ATOM 897 CA LEU A 67 3.099 1.709 10.036 1.00 0.00 C ATOM 898 C LEU A 67 3.087 0.296 9.449 1.00 0.00 C ATOM 899 O LEU A 67 3.488 0.092 8.304 1.00 0.00 O ATOM 900 CB LEU A 67 4.418 2.082 10.714 1.00 0.00 C ATOM 901 CG LEU A 67 4.869 3.535 10.552 1.00 0.00 C ATOM 902 CD1 LEU A 67 4.520 4.360 11.791 1.00 0.00 C ATOM 903 CD2 LEU A 67 6.359 3.612 10.212 1.00 0.00 C ATOM 0 H LEU A 67 2.203 1.588 11.926 1.00 0.00 H new ATOM 0 HA LEU A 67 2.989 2.402 9.202 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.330 1.867 11.779 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.201 1.434 10.321 1.00 0.00 H new ATOM 0 HG LEU A 67 4.325 3.970 9.714 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.852 5.388 11.649 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.441 4.345 11.946 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.018 3.936 12.663 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.654 4.656 10.102 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.939 3.153 11.013 1.00 0.00 H new ATOM 0 HD23 LEU A 67 6.547 3.082 9.278 1.00 0.00 H new ATOM 914 N ARG A 68 2.623 -0.644 10.260 1.00 0.00 N ATOM 915 CA ARG A 68 2.553 -2.031 9.836 1.00 0.00 C ATOM 916 C ARG A 68 2.084 -2.119 8.381 1.00 0.00 C ATOM 917 O ARG A 68 2.537 -2.980 7.630 1.00 0.00 O ATOM 918 CB ARG A 68 1.598 -2.831 10.723 1.00 0.00 C ATOM 919 CG ARG A 68 2.263 -4.112 11.229 1.00 0.00 C ATOM 920 CD ARG A 68 2.147 -5.236 10.197 1.00 0.00 C ATOM 921 NE ARG A 68 2.592 -6.517 10.791 1.00 0.00 N ATOM 922 CZ ARG A 68 3.868 -6.812 11.071 1.00 0.00 C ATOM 923 NH1 ARG A 68 4.835 -5.920 10.812 1.00 0.00 N ATOM 924 NH2 ARG A 68 4.179 -7.999 11.609 1.00 0.00 N ATOM 0 H ARG A 68 2.292 -0.471 11.209 1.00 0.00 H new ATOM 0 HA ARG A 68 3.553 -2.455 9.925 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.285 -2.220 11.570 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.698 -3.082 10.161 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.314 -3.919 11.445 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.797 -4.423 12.164 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.115 -5.323 9.856 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.753 -5.001 9.322 1.00 0.00 H new ATOM 0 HE ARG A 68 1.882 -7.219 11.000 1.00 0.00 H new ATOM 0 HH11 ARG A 68 4.599 -5.017 10.402 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.807 -6.145 11.025 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.444 -8.678 11.805 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.151 -8.223 11.822 1.00 0.00 H new ATOM 935 N ARG A 69 1.179 -1.216 8.030 1.00 0.00 N ATOM 936 CA ARG A 69 0.642 -1.181 6.681 1.00 0.00 C ATOM 937 C ARG A 69 1.725 -0.746 5.690 1.00 0.00 C ATOM 938 O ARG A 69 1.921 -1.387 4.659 1.00 0.00 O ATOM 939 CB ARG A 69 -0.543 -0.220 6.585 1.00 0.00 C ATOM 940 CG ARG A 69 -1.833 -0.971 6.245 1.00 0.00 C ATOM 941 CD ARG A 69 -2.145 -2.029 7.304 1.00 0.00 C ATOM 942 NE ARG A 69 -1.967 -3.384 6.734 1.00 0.00 N ATOM 943 CZ ARG A 69 -2.566 -4.484 7.211 1.00 0.00 C ATOM 944 NH1 ARG A 69 -3.385 -4.396 8.270 1.00 0.00 N ATOM 945 NH2 ARG A 69 -2.347 -5.672 6.631 1.00 0.00 N ATOM 0 H ARG A 69 0.805 -0.504 8.657 1.00 0.00 H new ATOM 0 HA ARG A 69 0.301 -2.186 6.434 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.664 0.309 7.530 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.344 0.533 5.822 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.661 -0.266 6.175 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.735 -1.446 5.269 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.489 -1.898 8.165 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.168 -1.907 7.661 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.350 -3.487 5.928 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.552 -3.492 8.712 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.841 -5.233 8.633 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -1.724 -5.739 5.826 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -2.803 -6.509 6.994 1.00 0.00 H new ATOM 956 N LEU A 70 2.399 0.339 6.039 1.00 0.00 N ATOM 957 CA LEU A 70 3.457 0.868 5.194 1.00 0.00 C ATOM 958 C LEU A 70 4.366 -0.278 4.745 1.00 0.00 C ATOM 959 O LEU A 70 4.846 -0.288 3.614 1.00 0.00 O ATOM 960 CB LEU A 70 4.199 1.998 5.908 1.00 0.00 C ATOM 961 CG LEU A 70 5.551 1.630 6.523 1.00 0.00 C ATOM 962 CD1 LEU A 70 6.649 1.602 5.457 1.00 0.00 C ATOM 963 CD2 LEU A 70 5.901 2.566 7.681 1.00 0.00 C ATOM 0 H LEU A 70 2.234 0.867 6.896 1.00 0.00 H new ATOM 0 HA LEU A 70 3.037 1.314 4.293 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.355 2.810 5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.556 2.385 6.698 1.00 0.00 H new ATOM 0 HG LEU A 70 5.475 0.624 6.935 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.600 1.338 5.921 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.399 0.863 4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.732 2.585 4.994 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.866 2.282 8.099 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.951 3.592 7.317 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.135 2.492 8.453 1.00 0.00 H new ATOM 974 N GLU A 71 4.575 -1.217 5.658 1.00 0.00 N ATOM 975 CA GLU A 71 5.417 -2.365 5.371 1.00 0.00 C ATOM 976 C GLU A 71 4.656 -3.382 4.518 1.00 0.00 C ATOM 977 O GLU A 71 5.256 -4.106 3.724 1.00 0.00 O ATOM 978 CB GLU A 71 5.929 -3.006 6.662 1.00 0.00 C ATOM 979 CG GLU A 71 5.171 -4.299 6.970 1.00 0.00 C ATOM 980 CD GLU A 71 5.757 -5.478 6.191 1.00 0.00 C ATOM 981 OE1 GLU A 71 6.888 -5.317 5.685 1.00 0.00 O ATOM 982 OE2 GLU A 71 5.060 -6.513 6.118 1.00 0.00 O ATOM 0 H GLU A 71 4.175 -1.205 6.596 1.00 0.00 H new ATOM 0 HA GLU A 71 6.284 -2.023 4.806 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.994 -3.218 6.569 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.814 -2.307 7.490 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.218 -4.506 8.039 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.118 -4.177 6.715 1.00 0.00 H new ATOM 987 N MET A 72 3.345 -3.405 4.710 1.00 0.00 N ATOM 988 CA MET A 72 2.496 -4.322 3.968 1.00 0.00 C ATOM 989 C MET A 72 2.491 -3.980 2.477 1.00 0.00 C ATOM 990 O MET A 72 2.854 -4.811 1.645 1.00 0.00 O ATOM 991 CB MET A 72 1.069 -4.249 4.513 1.00 0.00 C ATOM 992 CG MET A 72 0.791 -5.400 5.481 1.00 0.00 C ATOM 993 SD MET A 72 0.191 -6.822 4.584 1.00 0.00 S ATOM 994 CE MET A 72 1.450 -8.013 5.011 1.00 0.00 C ATOM 0 H MET A 72 2.850 -2.803 5.368 1.00 0.00 H new ATOM 0 HA MET A 72 2.890 -5.331 4.089 1.00 0.00 H new ATOM 0 HB2 MET A 72 0.919 -3.297 5.022 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.359 -4.284 3.687 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.701 -5.659 6.022 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.055 -5.092 6.224 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.228 -8.966 4.530 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.421 -7.653 4.672 1.00 0.00 H new ATOM 0 HE3 MET A 72 1.471 -8.148 6.092 1.00 0.00 H new ATOM 1002 N TYR A 73 2.079 -2.756 2.184 1.00 0.00 N ATOM 1003 CA TYR A 73 2.022 -2.295 0.807 1.00 0.00 C ATOM 1004 C TYR A 73 3.426 -2.025 0.262 1.00 0.00 C ATOM 1005 O TYR A 73 3.652 -2.100 -0.944 1.00 0.00 O ATOM 1006 CB TYR A 73 1.238 -0.981 0.835 1.00 0.00 C ATOM 1007 CG TYR A 73 -0.226 -1.123 0.412 1.00 0.00 C ATOM 1008 CD1 TYR A 73 -0.884 -2.321 0.595 1.00 0.00 C ATOM 1009 CD2 TYR A 73 -0.887 -0.051 -0.154 1.00 0.00 C ATOM 1010 CE1 TYR A 73 -2.263 -2.454 0.197 1.00 0.00 C ATOM 1011 CE2 TYR A 73 -2.264 -0.183 -0.552 1.00 0.00 C ATOM 1012 CZ TYR A 73 -2.885 -1.378 -0.358 1.00 0.00 C ATOM 1013 OH TYR A 73 -4.186 -1.504 -0.733 1.00 0.00 O ATOM 0 H TYR A 73 1.781 -2.069 2.877 1.00 0.00 H new ATOM 0 HA TYR A 73 1.557 -3.046 0.169 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.276 -0.568 1.843 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.728 -0.263 0.177 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.366 -3.160 1.037 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.371 0.887 -0.298 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -2.791 -3.386 0.336 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.793 0.648 -0.995 1.00 0.00 H new ATOM 0 HH TYR A 73 -4.496 -0.662 -1.128 1.00 0.00 H new ATOM 1022 N CYS A 74 4.333 -1.715 1.177 1.00 0.00 N ATOM 1023 CA CYS A 74 5.708 -1.433 0.803 1.00 0.00 C ATOM 1024 C CYS A 74 6.111 -2.402 -0.309 1.00 0.00 C ATOM 1025 O CYS A 74 7.153 -3.051 -0.225 1.00 0.00 O ATOM 1026 CB CYS A 74 6.650 -1.519 2.005 1.00 0.00 C ATOM 1027 SG CYS A 74 7.439 0.063 2.478 1.00 0.00 S ATOM 0 H CYS A 74 4.142 -1.653 2.177 1.00 0.00 H new ATOM 0 HA CYS A 74 5.786 -0.409 0.437 1.00 0.00 H new ATOM 0 HB2 CYS A 74 6.091 -1.900 2.860 1.00 0.00 H new ATOM 0 HB3 CYS A 74 7.431 -2.247 1.785 1.00 0.00 H new ATOM 1031 N ALA A 75 5.265 -2.470 -1.327 1.00 0.00 N ATOM 1032 CA ALA A 75 5.521 -3.350 -2.454 1.00 0.00 C ATOM 1033 C ALA A 75 6.800 -2.903 -3.165 1.00 0.00 C ATOM 1034 O ALA A 75 7.225 -1.757 -3.024 1.00 0.00 O ATOM 1035 CB ALA A 75 4.307 -3.351 -3.386 1.00 0.00 C ATOM 0 H ALA A 75 4.402 -1.930 -1.394 1.00 0.00 H new ATOM 0 HA ALA A 75 5.673 -4.374 -2.114 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.498 -4.011 -4.232 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.431 -3.703 -2.842 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.126 -2.339 -3.749 1.00 0.00 H new ATOM 1041 N PRO A 76 7.395 -3.856 -3.932 1.00 0.00 N ATOM 1042 CA PRO A 76 8.618 -3.572 -4.664 1.00 0.00 C ATOM 1043 C PRO A 76 8.331 -2.710 -5.896 1.00 0.00 C ATOM 1044 O PRO A 76 8.766 -1.561 -5.968 1.00 0.00 O ATOM 1045 CB PRO A 76 9.192 -4.935 -5.015 1.00 0.00 C ATOM 1046 CG PRO A 76 8.042 -5.920 -4.875 1.00 0.00 C ATOM 1047 CD PRO A 76 6.920 -5.223 -4.122 1.00 0.00 C ATOM 0 HA PRO A 76 9.333 -2.992 -4.080 1.00 0.00 H new ATOM 0 HB2 PRO A 76 9.591 -4.941 -6.030 1.00 0.00 H new ATOM 0 HB3 PRO A 76 10.014 -5.196 -4.348 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.698 -6.247 -5.856 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.366 -6.811 -4.338 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.990 -5.244 -4.690 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.722 -5.710 -3.167 1.00 0.00 H new