USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 595 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 Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0.0139 USER MOD Single : A 50 HIS :FLIP no HE2:sc= 0.676 F(o=-2.4!,f=0.68) USER MOD Single : A 52 HIS : no HD1:sc= -4.13! C(o=-4.1!,f=-8.1!) USER MOD Single : A 56 LYS NZ :NH3+ -171:sc=-0.00142 (180deg=-0.118) USER MOD Single : A 59 HIS : no HE2:sc= -1.46 K(o=-1.5,f=-2.1!) USER MOD Single : B 98 LYS NZ :NH3+ -169:sc= -0.0227 (180deg=-0.177) USER MOD Single : B 103 CYS SG : rot 180:sc= -0.0855 USER MOD Single : B 105 SER OG : rot 180:sc= 0.0331 USER MOD Single : B 111 HIS : no HD1:sc= -0.0513 X(o=-0.051,f=0.0018) USER MOD Single : B 113 HIS : no HE2:sc= -3.96! C(o=-4!,f=-7!) USER MOD Single : B 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 120 HIS :FLIP no HE2:sc=-0.00294 F(o=-0.5,f=-0.0029) USER MOD ----------------------------------------------------------------- ATOM 185 N CYS A 13 -15.153 -5.644 -6.021 1.00 0.00 N ATOM 186 CA CYS A 13 -14.199 -4.821 -5.284 1.00 0.00 C ATOM 187 C CYS A 13 -13.144 -4.223 -6.213 1.00 0.00 C ATOM 188 O CYS A 13 -12.547 -3.191 -5.908 1.00 0.00 O ATOM 189 CB CYS A 13 -13.506 -5.673 -4.222 1.00 0.00 C ATOM 190 SG CYS A 13 -12.763 -7.203 -4.889 1.00 0.00 S ATOM 0 HA CYS A 13 -14.748 -4.004 -4.816 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -12.728 -5.080 -3.742 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -14.229 -5.936 -3.449 1.00 0.00 H new ATOM 195 N ALA A 14 -12.913 -4.887 -7.344 1.00 0.00 N ATOM 196 CA ALA A 14 -11.922 -4.438 -8.319 1.00 0.00 C ATOM 197 C ALA A 14 -12.295 -3.094 -8.946 1.00 0.00 C ATOM 198 O ALA A 14 -11.440 -2.409 -9.498 1.00 0.00 O ATOM 199 CB ALA A 14 -11.739 -5.485 -9.406 1.00 0.00 C ATOM 0 H ALA A 14 -13.402 -5.742 -7.608 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.983 -4.301 -7.783 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.998 -5.137 -10.125 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.399 -6.419 -8.958 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.689 -5.651 -9.915 1.00 0.00 H new ATOM 205 N ALA A 15 -13.567 -2.722 -8.862 1.00 0.00 N ATOM 206 CA ALA A 15 -14.035 -1.459 -9.434 1.00 0.00 C ATOM 207 C ALA A 15 -13.681 -0.261 -8.552 1.00 0.00 C ATOM 208 O ALA A 15 -14.021 0.879 -8.877 1.00 0.00 O ATOM 209 CB ALA A 15 -15.538 -1.507 -9.665 1.00 0.00 C ATOM 0 H ALA A 15 -14.293 -3.273 -8.405 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.524 -1.329 -10.388 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.871 -0.560 -10.091 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.775 -2.318 -10.354 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.047 -1.677 -8.716 1.00 0.00 H new ATOM 215 N ALA A 16 -13.007 -0.512 -7.436 1.00 0.00 N ATOM 216 CA ALA A 16 -12.627 0.566 -6.527 1.00 0.00 C ATOM 217 C ALA A 16 -11.163 0.470 -6.118 1.00 0.00 C ATOM 218 O ALA A 16 -10.563 1.454 -5.696 1.00 0.00 O ATOM 219 CB ALA A 16 -13.520 0.555 -5.291 1.00 0.00 C ATOM 0 H ALA A 16 -12.714 -1.443 -7.139 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.761 1.508 -7.059 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.226 1.364 -4.622 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -14.559 0.693 -5.591 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -13.415 -0.399 -4.775 1.00 0.00 H new ATOM 225 N ILE A 17 -10.594 -0.720 -6.220 1.00 0.00 N ATOM 226 CA ILE A 17 -9.206 -0.929 -5.834 1.00 0.00 C ATOM 227 C ILE A 17 -8.264 -0.768 -7.025 1.00 0.00 C ATOM 228 O ILE A 17 -7.211 -0.138 -6.919 1.00 0.00 O ATOM 229 CB ILE A 17 -9.049 -2.325 -5.174 1.00 0.00 C ATOM 230 CG1 ILE A 17 -7.720 -2.452 -4.405 1.00 0.00 C ATOM 231 CG2 ILE A 17 -9.213 -3.460 -6.178 1.00 0.00 C ATOM 232 CD1 ILE A 17 -6.526 -2.848 -5.251 1.00 0.00 C ATOM 0 H ILE A 17 -11.069 -1.554 -6.565 1.00 0.00 H new ATOM 0 HA ILE A 17 -8.930 -0.166 -5.107 1.00 0.00 H new ATOM 0 HB ILE A 17 -9.859 -2.415 -4.450 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.504 -1.499 -3.922 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.845 -3.190 -3.612 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.095 -4.416 -5.669 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -10.205 -3.408 -6.627 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.457 -3.368 -6.958 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.639 -2.911 -4.621 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.713 -3.817 -5.713 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.367 -2.100 -6.028 1.00 0.00 H new ATOM 244 N ALA A 18 -8.650 -1.358 -8.147 1.00 0.00 N ATOM 245 CA ALA A 18 -7.846 -1.320 -9.373 1.00 0.00 C ATOM 246 C ALA A 18 -7.545 0.104 -9.839 1.00 0.00 C ATOM 247 O ALA A 18 -6.486 0.360 -10.417 1.00 0.00 O ATOM 248 CB ALA A 18 -8.539 -2.094 -10.484 1.00 0.00 C ATOM 0 H ALA A 18 -9.524 -1.876 -8.239 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.891 -1.790 -9.137 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.930 -2.057 -11.388 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.670 -3.132 -10.177 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.514 -1.649 -10.684 1.00 0.00 H new ATOM 254 N GLY A 19 -8.468 1.026 -9.592 1.00 0.00 N ATOM 255 CA GLY A 19 -8.263 2.401 -10.003 1.00 0.00 C ATOM 256 C GLY A 19 -7.255 3.117 -9.131 1.00 0.00 C ATOM 257 O GLY A 19 -6.635 4.090 -9.557 1.00 0.00 O ATOM 0 H GLY A 19 -9.352 0.846 -9.116 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.924 2.422 -11.039 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.213 2.934 -9.968 1.00 0.00 H new ATOM 261 N ALA A 20 -7.088 2.636 -7.908 1.00 0.00 N ATOM 262 CA ALA A 20 -6.150 3.241 -6.984 1.00 0.00 C ATOM 263 C ALA A 20 -4.741 2.717 -7.215 1.00 0.00 C ATOM 264 O ALA A 20 -3.757 3.387 -6.893 1.00 0.00 O ATOM 265 CB ALA A 20 -6.581 2.998 -5.550 1.00 0.00 C ATOM 0 H ALA A 20 -7.590 1.830 -7.536 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.144 4.316 -7.166 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.864 3.460 -4.871 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.567 3.434 -5.388 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.622 1.926 -5.359 1.00 0.00 H new ATOM 271 N VAL A 21 -4.652 1.519 -7.780 1.00 0.00 N ATOM 272 CA VAL A 21 -3.381 0.897 -8.067 1.00 0.00 C ATOM 273 C VAL A 21 -2.632 1.680 -9.140 1.00 0.00 C ATOM 274 O VAL A 21 -1.443 1.963 -8.996 1.00 0.00 O ATOM 275 CB VAL A 21 -3.591 -0.556 -8.531 1.00 0.00 C ATOM 276 CG1 VAL A 21 -2.275 -1.197 -8.897 1.00 0.00 C ATOM 277 CG2 VAL A 21 -4.285 -1.367 -7.454 1.00 0.00 C ATOM 0 H VAL A 21 -5.461 0.959 -8.049 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.786 0.896 -7.154 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.226 -0.538 -9.417 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.448 -2.223 -9.222 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.809 -0.634 -9.706 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.617 -1.198 -8.028 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.424 -2.391 -7.802 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.675 -1.370 -6.551 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.256 -0.924 -7.234 1.00 0.00 H new ATOM 287 N ALA A 22 -3.338 2.032 -10.209 1.00 0.00 N ATOM 288 CA ALA A 22 -2.744 2.786 -11.306 1.00 0.00 C ATOM 289 C ALA A 22 -2.438 4.225 -10.894 1.00 0.00 C ATOM 290 O ALA A 22 -1.527 4.854 -11.434 1.00 0.00 O ATOM 291 CB ALA A 22 -3.666 2.770 -12.516 1.00 0.00 C ATOM 0 H ALA A 22 -4.324 1.807 -10.339 1.00 0.00 H new ATOM 0 HA ALA A 22 -1.801 2.306 -11.569 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.210 3.337 -13.328 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.827 1.741 -12.837 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.622 3.221 -12.251 1.00 0.00 H new ATOM 297 N ALA A 23 -3.214 4.741 -9.947 1.00 0.00 N ATOM 298 CA ALA A 23 -3.042 6.106 -9.470 1.00 0.00 C ATOM 299 C ALA A 23 -1.836 6.242 -8.543 1.00 0.00 C ATOM 300 O ALA A 23 -1.061 7.191 -8.663 1.00 0.00 O ATOM 301 CB ALA A 23 -4.303 6.580 -8.763 1.00 0.00 C ATOM 0 H ALA A 23 -3.972 4.230 -9.493 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.858 6.735 -10.341 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.161 7.602 -8.411 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.143 6.549 -9.457 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.510 5.929 -7.913 1.00 0.00 H new ATOM 307 N CYS A 24 -1.688 5.306 -7.609 1.00 0.00 N ATOM 308 CA CYS A 24 -0.578 5.353 -6.660 1.00 0.00 C ATOM 309 C CYS A 24 0.674 4.712 -7.255 1.00 0.00 C ATOM 310 O CYS A 24 1.790 5.183 -7.030 1.00 0.00 O ATOM 311 CB CYS A 24 -0.958 4.652 -5.350 1.00 0.00 C ATOM 312 SG CYS A 24 -0.129 5.332 -3.871 1.00 0.00 S ATOM 0 H CYS A 24 -2.317 4.512 -7.489 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.362 6.400 -6.447 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.037 4.722 -5.213 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -0.716 3.593 -5.434 1.00 0.00 H new ATOM 317 N GLY A 25 0.487 3.641 -8.018 1.00 0.00 N ATOM 318 CA GLY A 25 1.614 2.964 -8.630 1.00 0.00 C ATOM 319 C GLY A 25 1.996 1.697 -7.893 1.00 0.00 C ATOM 320 O GLY A 25 3.167 1.484 -7.581 1.00 0.00 O ATOM 0 H GLY A 25 -0.424 3.230 -8.223 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.370 2.720 -9.664 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.470 3.639 -8.655 1.00 0.00 H new ATOM 324 N GLY A 26 1.011 0.856 -7.606 1.00 0.00 N ATOM 325 CA GLY A 26 1.278 -0.383 -6.896 1.00 0.00 C ATOM 326 C GLY A 26 0.164 -0.744 -5.935 1.00 0.00 C ATOM 327 O GLY A 26 -0.825 -0.016 -5.828 1.00 0.00 O ATOM 0 H GLY A 26 0.033 1.008 -7.851 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.410 -1.191 -7.616 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.214 -0.290 -6.346 1.00 0.00 H new ATOM 331 N ILE A 27 0.321 -1.858 -5.230 1.00 0.00 N ATOM 332 CA ILE A 27 -0.685 -2.303 -4.279 1.00 0.00 C ATOM 333 C ILE A 27 -0.175 -2.244 -2.834 1.00 0.00 C ATOM 334 O ILE A 27 0.768 -2.937 -2.457 1.00 0.00 O ATOM 335 CB ILE A 27 -1.178 -3.733 -4.624 1.00 0.00 C ATOM 336 CG1 ILE A 27 -2.183 -4.235 -3.585 1.00 0.00 C ATOM 337 CG2 ILE A 27 -0.014 -4.706 -4.745 1.00 0.00 C ATOM 338 CD1 ILE A 27 -3.462 -3.431 -3.548 1.00 0.00 C ATOM 0 H ILE A 27 1.135 -2.468 -5.300 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.527 -1.615 -4.358 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.679 -3.679 -5.591 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -2.424 -5.277 -3.797 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.718 -4.210 -2.599 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.393 -5.699 -4.987 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.659 -4.372 -5.535 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.527 -4.745 -3.800 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.128 -3.842 -2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.233 -2.393 -3.306 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.949 -3.477 -4.522 1.00 0.00 H new ATOM 350 N ASP A 28 -0.827 -1.414 -2.033 1.00 0.00 N ATOM 351 CA ASP A 28 -0.481 -1.251 -0.624 1.00 0.00 C ATOM 352 C ASP A 28 -1.763 -1.277 0.199 1.00 0.00 C ATOM 353 O ASP A 28 -2.411 -2.315 0.320 1.00 0.00 O ATOM 354 CB ASP A 28 0.258 0.079 -0.401 1.00 0.00 C ATOM 355 CG ASP A 28 0.978 0.154 0.934 1.00 0.00 C ATOM 356 OD1 ASP A 28 0.506 -0.462 1.909 1.00 0.00 O ATOM 357 OD2 ASP A 28 1.994 0.872 1.012 1.00 0.00 O ATOM 0 H ASP A 28 -1.609 -0.835 -2.338 1.00 0.00 H new ATOM 0 HA ASP A 28 0.178 -2.063 -0.315 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.981 0.223 -1.204 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.458 0.899 -0.466 1.00 0.00 H new ATOM 362 N LEU A 29 -2.130 -0.112 0.726 1.00 0.00 N ATOM 363 CA LEU A 29 -3.344 0.061 1.520 1.00 0.00 C ATOM 364 C LEU A 29 -3.542 1.539 1.873 1.00 0.00 C ATOM 365 O LEU A 29 -4.583 2.099 1.560 1.00 0.00 O ATOM 366 CB LEU A 29 -3.324 -0.807 2.790 1.00 0.00 C ATOM 367 CG LEU A 29 -4.468 -0.562 3.785 1.00 0.00 C ATOM 368 CD1 LEU A 29 -5.829 -0.761 3.136 1.00 0.00 C ATOM 369 CD2 LEU A 29 -4.329 -1.485 4.982 1.00 0.00 C ATOM 0 H LEU A 29 -1.589 0.746 0.613 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.188 -0.272 0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.346 -1.855 2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.378 -0.642 3.305 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.401 0.475 4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.613 -0.579 3.871 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.941 -0.064 2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.909 -1.783 2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.146 -1.301 5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.363 -2.522 4.648 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.378 -1.295 5.479 1.00 0.00 H new ATOM 381 N PRO A 30 -2.557 2.199 2.542 1.00 0.00 N ATOM 382 CA PRO A 30 -2.663 3.615 2.934 1.00 0.00 C ATOM 383 C PRO A 30 -3.172 4.538 1.829 1.00 0.00 C ATOM 384 O PRO A 30 -4.194 5.200 1.994 1.00 0.00 O ATOM 385 CB PRO A 30 -1.231 4.009 3.333 1.00 0.00 C ATOM 386 CG PRO A 30 -0.372 2.830 3.013 1.00 0.00 C ATOM 387 CD PRO A 30 -1.277 1.636 2.992 1.00 0.00 C ATOM 0 HA PRO A 30 -3.396 3.725 3.733 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.902 4.891 2.784 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.176 4.255 4.393 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.121 2.960 2.050 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.413 2.708 3.759 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -0.913 0.866 2.312 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.362 1.177 3.977 1.00 0.00 H new ATOM 395 N CYS A 31 -2.454 4.606 0.712 1.00 0.00 N ATOM 396 CA CYS A 31 -2.859 5.486 -0.379 1.00 0.00 C ATOM 397 C CYS A 31 -3.981 4.871 -1.212 1.00 0.00 C ATOM 398 O CYS A 31 -4.840 5.579 -1.732 1.00 0.00 O ATOM 399 CB CYS A 31 -1.671 5.827 -1.288 1.00 0.00 C ATOM 400 SG CYS A 31 -1.063 4.434 -2.303 1.00 0.00 S ATOM 0 H CYS A 31 -1.602 4.072 0.539 1.00 0.00 H new ATOM 0 HA CYS A 31 -3.230 6.403 0.078 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.960 6.643 -1.951 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.851 6.194 -0.670 1.00 0.00 H new ATOM 405 N VAL A 32 -3.952 3.551 -1.344 1.00 0.00 N ATOM 406 CA VAL A 32 -4.942 2.818 -2.117 1.00 0.00 C ATOM 407 C VAL A 32 -6.333 2.887 -1.464 1.00 0.00 C ATOM 408 O VAL A 32 -7.348 2.619 -2.110 1.00 0.00 O ATOM 409 CB VAL A 32 -4.507 1.346 -2.256 1.00 0.00 C ATOM 410 CG1 VAL A 32 -5.187 0.695 -3.436 1.00 0.00 C ATOM 411 CG2 VAL A 32 -2.994 1.237 -2.391 1.00 0.00 C ATOM 0 H VAL A 32 -3.240 2.959 -0.917 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.009 3.280 -3.102 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.810 0.821 -1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.865 -0.343 -3.514 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.268 0.730 -3.298 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.920 1.227 -4.349 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.712 0.189 -2.488 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.667 1.784 -3.276 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.518 1.661 -1.506 1.00 0.00 H new ATOM 421 N LEU A 33 -6.363 3.251 -0.185 1.00 0.00 N ATOM 422 CA LEU A 33 -7.610 3.362 0.572 1.00 0.00 C ATOM 423 C LEU A 33 -8.513 4.464 0.008 1.00 0.00 C ATOM 424 O LEU A 33 -9.733 4.425 0.178 1.00 0.00 O ATOM 425 CB LEU A 33 -7.302 3.670 2.040 1.00 0.00 C ATOM 426 CG LEU A 33 -8.516 3.677 2.974 1.00 0.00 C ATOM 427 CD1 LEU A 33 -9.046 2.266 3.172 1.00 0.00 C ATOM 428 CD2 LEU A 33 -8.159 4.305 4.309 1.00 0.00 C ATOM 0 H LEU A 33 -5.528 3.477 0.356 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.134 2.410 0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.586 2.934 2.406 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.815 4.644 2.096 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.300 4.276 2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.908 2.291 3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.344 1.851 2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.267 1.643 3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.034 4.301 4.959 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.357 3.734 4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.829 5.332 4.151 1.00 0.00 H new ATOM 440 N ALA A 34 -7.894 5.452 -0.639 1.00 0.00 N ATOM 441 CA ALA A 34 -8.614 6.592 -1.214 1.00 0.00 C ATOM 442 C ALA A 34 -9.751 6.170 -2.148 1.00 0.00 C ATOM 443 O ALA A 34 -10.911 6.516 -1.919 1.00 0.00 O ATOM 444 CB ALA A 34 -7.644 7.508 -1.948 1.00 0.00 C ATOM 0 H ALA A 34 -6.884 5.486 -0.780 1.00 0.00 H new ATOM 0 HA ALA A 34 -9.072 7.129 -0.383 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.190 8.351 -2.371 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.892 7.876 -1.250 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.155 6.953 -2.749 1.00 0.00 H new ATOM 450 N ALA A 35 -9.419 5.440 -3.206 1.00 0.00 N ATOM 451 CA ALA A 35 -10.424 4.999 -4.174 1.00 0.00 C ATOM 452 C ALA A 35 -11.269 3.853 -3.630 1.00 0.00 C ATOM 453 O ALA A 35 -12.348 3.563 -4.151 1.00 0.00 O ATOM 454 CB ALA A 35 -9.754 4.593 -5.474 1.00 0.00 C ATOM 0 H ALA A 35 -8.467 5.140 -3.418 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.094 5.838 -4.363 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -10.511 4.267 -6.187 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -9.211 5.444 -5.885 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -9.058 3.776 -5.285 1.00 0.00 H new ATOM 460 N LEU A 36 -10.779 3.210 -2.579 1.00 0.00 N ATOM 461 CA LEU A 36 -11.491 2.096 -1.962 1.00 0.00 C ATOM 462 C LEU A 36 -12.678 2.597 -1.133 1.00 0.00 C ATOM 463 O LEU A 36 -13.514 1.813 -0.686 1.00 0.00 O ATOM 464 CB LEU A 36 -10.542 1.278 -1.076 1.00 0.00 C ATOM 465 CG LEU A 36 -11.131 -0.022 -0.524 1.00 0.00 C ATOM 466 CD1 LEU A 36 -11.395 -1.009 -1.646 1.00 0.00 C ATOM 467 CD2 LEU A 36 -10.204 -0.630 0.513 1.00 0.00 C ATOM 0 H LEU A 36 -9.890 3.440 -2.134 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.871 1.457 -2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.648 1.038 -1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.225 1.900 -0.239 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.081 0.211 -0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.814 -1.927 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -12.101 -0.575 -2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.460 -1.236 -2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.640 -1.554 0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.238 -0.846 0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.067 0.073 1.335 1.00 0.00 H new ATOM 479 N LYS A 37 -12.746 3.907 -0.929 1.00 0.00 N ATOM 480 CA LYS A 37 -13.829 4.508 -0.161 1.00 0.00 C ATOM 481 C LYS A 37 -15.120 4.520 -0.981 1.00 0.00 C ATOM 482 O LYS A 37 -15.363 5.439 -1.765 1.00 0.00 O ATOM 483 CB LYS A 37 -13.436 5.928 0.260 1.00 0.00 C ATOM 484 CG LYS A 37 -14.401 6.570 1.245 1.00 0.00 C ATOM 485 CD LYS A 37 -13.931 7.947 1.681 1.00 0.00 C ATOM 486 CE LYS A 37 -14.935 8.591 2.625 1.00 0.00 C ATOM 487 NZ LYS A 37 -14.544 9.972 3.000 1.00 0.00 N ATOM 0 H LYS A 37 -12.062 4.575 -1.286 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.006 3.914 0.736 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.442 5.902 0.706 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.370 6.555 -0.629 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.387 6.651 0.787 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.507 5.929 2.120 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.963 7.865 2.175 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.790 8.581 0.806 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.917 8.609 2.152 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -15.026 7.984 3.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.256 10.372 3.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.619 9.954 3.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.482 10.560 2.144 1.00 0.00 H new ATOM 501 N ALA A 38 -15.934 3.480 -0.811 1.00 0.00 N ATOM 502 CA ALA A 38 -17.188 3.356 -1.545 1.00 0.00 C ATOM 503 C ALA A 38 -18.397 3.513 -0.627 1.00 0.00 C ATOM 504 O ALA A 38 -19.536 3.538 -1.100 1.00 0.00 O ATOM 505 CB ALA A 38 -17.243 2.014 -2.260 1.00 0.00 C ATOM 0 H ALA A 38 -15.745 2.710 -0.169 1.00 0.00 H new ATOM 0 HA ALA A 38 -17.225 4.160 -2.280 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -18.183 1.931 -2.805 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.410 1.940 -2.959 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -17.175 1.209 -1.528 1.00 0.00 H new ATOM 511 N ALA A 39 -18.127 3.617 0.680 1.00 0.00 N ATOM 512 CA ALA A 39 -19.161 3.781 1.716 1.00 0.00 C ATOM 513 C ALA A 39 -19.966 2.503 1.966 1.00 0.00 C ATOM 514 O ALA A 39 -19.961 1.979 3.080 1.00 0.00 O ATOM 515 CB ALA A 39 -20.094 4.941 1.392 1.00 0.00 C ATOM 0 H ALA A 39 -17.178 3.590 1.054 1.00 0.00 H new ATOM 0 HA ALA A 39 -18.626 4.007 2.639 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -20.845 5.034 2.177 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -19.518 5.864 1.329 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -20.587 4.756 0.438 1.00 0.00 H new ATOM 521 N GLU A 40 -20.673 2.020 0.944 1.00 0.00 N ATOM 522 CA GLU A 40 -21.495 0.814 1.077 1.00 0.00 C ATOM 523 C GLU A 40 -20.658 -0.404 1.454 1.00 0.00 C ATOM 524 O GLU A 40 -20.772 -0.930 2.562 1.00 0.00 O ATOM 525 CB GLU A 40 -22.257 0.521 -0.218 1.00 0.00 C ATOM 526 CG GLU A 40 -23.313 1.555 -0.565 1.00 0.00 C ATOM 527 CD GLU A 40 -24.221 1.088 -1.679 1.00 0.00 C ATOM 528 OE1 GLU A 40 -24.890 0.053 -1.505 1.00 0.00 O ATOM 529 OE2 GLU A 40 -24.265 1.752 -2.731 1.00 0.00 O ATOM 0 H GLU A 40 -20.694 2.443 0.016 1.00 0.00 H new ATOM 0 HA GLU A 40 -22.207 1.008 1.879 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -21.544 0.456 -1.040 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -22.734 -0.455 -0.133 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -23.910 1.775 0.320 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -22.826 2.485 -0.860 1.00 0.00 H new ATOM 536 N GLY A 41 -19.830 -0.861 0.529 1.00 0.00 N ATOM 537 CA GLY A 41 -19.007 -2.021 0.799 1.00 0.00 C ATOM 538 C GLY A 41 -17.767 -2.071 -0.061 1.00 0.00 C ATOM 539 O GLY A 41 -17.125 -1.045 -0.289 1.00 0.00 O ATOM 0 H GLY A 41 -19.713 -0.453 -0.399 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -18.715 -2.018 1.849 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -19.595 -2.924 0.634 1.00 0.00 H new ATOM 543 N CYS A 42 -17.434 -3.277 -0.526 1.00 0.00 N ATOM 544 CA CYS A 42 -16.258 -3.515 -1.368 1.00 0.00 C ATOM 545 C CYS A 42 -14.967 -3.425 -0.553 1.00 0.00 C ATOM 546 O CYS A 42 -13.867 -3.448 -1.108 1.00 0.00 O ATOM 547 CB CYS A 42 -16.202 -2.541 -2.553 1.00 0.00 C ATOM 548 SG CYS A 42 -17.479 -2.801 -3.839 1.00 0.00 S ATOM 0 H CYS A 42 -17.974 -4.120 -0.329 1.00 0.00 H new ATOM 0 HA CYS A 42 -16.351 -4.526 -1.764 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -16.296 -1.524 -2.171 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -15.220 -2.617 -3.019 1.00 0.00 H new ATOM 0 HG CYS A 42 -17.330 -1.919 -4.783 1.00 0.00 H new ATOM 553 N ALA A 43 -15.106 -3.337 0.766 1.00 0.00 N ATOM 554 CA ALA A 43 -13.955 -3.252 1.655 1.00 0.00 C ATOM 555 C ALA A 43 -13.581 -4.627 2.191 1.00 0.00 C ATOM 556 O ALA A 43 -12.446 -4.852 2.611 1.00 0.00 O ATOM 557 CB ALA A 43 -14.241 -2.294 2.802 1.00 0.00 C ATOM 0 H ALA A 43 -16.008 -3.323 1.243 1.00 0.00 H new ATOM 0 HA ALA A 43 -13.110 -2.869 1.083 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -13.372 -2.241 3.457 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -14.455 -1.303 2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -15.101 -2.651 3.368 1.00 0.00 H new ATOM 563 N SER A 44 -14.539 -5.548 2.168 1.00 0.00 N ATOM 564 CA SER A 44 -14.313 -6.908 2.649 1.00 0.00 C ATOM 565 C SER A 44 -13.586 -7.759 1.604 1.00 0.00 C ATOM 566 O SER A 44 -13.480 -8.976 1.743 1.00 0.00 O ATOM 567 CB SER A 44 -15.642 -7.558 3.036 1.00 0.00 C ATOM 568 OG SER A 44 -16.611 -7.399 2.011 1.00 0.00 O ATOM 0 H SER A 44 -15.483 -5.377 1.820 1.00 0.00 H new ATOM 0 HA SER A 44 -13.675 -6.851 3.531 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.487 -8.619 3.232 1.00 0.00 H new ATOM 0 HB3 SER A 44 -16.011 -7.114 3.961 1.00 0.00 H new ATOM 0 HG SER A 44 -17.450 -7.826 2.285 1.00 0.00 H new ATOM 574 N CYS A 45 -13.075 -7.106 0.569 1.00 0.00 N ATOM 575 CA CYS A 45 -12.339 -7.787 -0.488 1.00 0.00 C ATOM 576 C CYS A 45 -10.868 -7.416 -0.392 1.00 0.00 C ATOM 577 O CYS A 45 -10.016 -8.266 -0.147 1.00 0.00 O ATOM 578 CB CYS A 45 -12.895 -7.406 -1.859 1.00 0.00 C ATOM 579 SG CYS A 45 -12.031 -8.177 -3.263 1.00 0.00 S ATOM 0 H CYS A 45 -13.158 -6.098 0.438 1.00 0.00 H new ATOM 0 HA CYS A 45 -12.450 -8.864 -0.366 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -13.948 -7.683 -1.900 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -12.846 -6.323 -1.969 1.00 0.00 H new ATOM 584 N PHE A 46 -10.581 -6.130 -0.561 1.00 0.00 N ATOM 585 CA PHE A 46 -9.217 -5.633 -0.467 1.00 0.00 C ATOM 586 C PHE A 46 -8.722 -5.759 0.968 1.00 0.00 C ATOM 587 O PHE A 46 -7.731 -6.433 1.234 1.00 0.00 O ATOM 588 CB PHE A 46 -9.164 -4.170 -0.924 1.00 0.00 C ATOM 589 CG PHE A 46 -7.799 -3.525 -0.883 1.00 0.00 C ATOM 590 CD1 PHE A 46 -6.658 -4.242 -0.549 1.00 0.00 C ATOM 591 CD2 PHE A 46 -7.666 -2.183 -1.187 1.00 0.00 C ATOM 592 CE1 PHE A 46 -5.422 -3.631 -0.517 1.00 0.00 C ATOM 593 CE2 PHE A 46 -6.434 -1.568 -1.158 1.00 0.00 C ATOM 594 CZ PHE A 46 -5.310 -2.292 -0.821 1.00 0.00 C ATOM 0 H PHE A 46 -11.278 -5.413 -0.764 1.00 0.00 H new ATOM 0 HA PHE A 46 -8.571 -6.225 -1.115 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -9.543 -4.112 -1.944 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -9.841 -3.588 -0.299 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.739 -5.292 -0.311 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -8.541 -1.608 -1.451 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.543 -4.201 -0.254 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.348 -0.519 -1.399 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.344 -1.810 -0.795 1.00 0.00 H new ATOM 604 N CYS A 47 -9.420 -5.110 1.890 1.00 0.00 N ATOM 605 CA CYS A 47 -9.048 -5.144 3.301 1.00 0.00 C ATOM 606 C CYS A 47 -9.392 -6.475 3.958 1.00 0.00 C ATOM 607 O CYS A 47 -9.404 -6.570 5.179 1.00 0.00 O ATOM 608 CB CYS A 47 -9.744 -4.020 4.059 1.00 0.00 C ATOM 609 SG CYS A 47 -9.194 -2.350 3.596 1.00 0.00 S ATOM 0 H CYS A 47 -10.249 -4.552 1.687 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.967 -5.014 3.345 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -10.818 -4.095 3.891 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.578 -4.161 5.127 1.00 0.00 H new ATOM 614 N GLU A 48 -9.662 -7.495 3.153 1.00 0.00 N ATOM 615 CA GLU A 48 -9.998 -8.817 3.668 1.00 0.00 C ATOM 616 C GLU A 48 -8.900 -9.320 4.594 1.00 0.00 C ATOM 617 O GLU A 48 -9.152 -9.704 5.737 1.00 0.00 O ATOM 618 CB GLU A 48 -10.181 -9.784 2.504 1.00 0.00 C ATOM 619 CG GLU A 48 -10.814 -11.099 2.901 1.00 0.00 C ATOM 620 CD GLU A 48 -11.273 -11.900 1.709 1.00 0.00 C ATOM 621 OE1 GLU A 48 -10.434 -12.221 0.846 1.00 0.00 O ATOM 622 OE2 GLU A 48 -12.476 -12.212 1.632 1.00 0.00 O ATOM 0 H GLU A 48 -9.655 -7.431 2.135 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.926 -8.752 4.235 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.799 -9.309 1.742 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.210 -9.981 2.050 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.097 -11.686 3.475 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.664 -10.907 3.555 1.00 0.00 H new ATOM 629 N ASP A 49 -7.679 -9.292 4.087 1.00 0.00 N ATOM 630 CA ASP A 49 -6.519 -9.717 4.849 1.00 0.00 C ATOM 631 C ASP A 49 -5.883 -8.498 5.500 1.00 0.00 C ATOM 632 O ASP A 49 -5.126 -8.603 6.463 1.00 0.00 O ATOM 633 CB ASP A 49 -5.510 -10.394 3.924 1.00 0.00 C ATOM 634 CG ASP A 49 -4.913 -11.644 4.522 1.00 0.00 C ATOM 635 OD1 ASP A 49 -5.283 -12.004 5.657 1.00 0.00 O ATOM 636 OD2 ASP A 49 -4.082 -12.277 3.845 1.00 0.00 O ATOM 0 H ASP A 49 -7.465 -8.976 3.141 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.824 -10.428 5.617 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.999 -10.645 2.983 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.710 -9.691 3.690 1.00 0.00 H new ATOM 641 N HIS A 50 -6.208 -7.339 4.940 1.00 0.00 N ATOM 642 CA HIS A 50 -5.693 -6.054 5.412 1.00 0.00 C ATOM 643 C HIS A 50 -6.718 -5.367 6.315 1.00 0.00 C ATOM 644 O HIS A 50 -7.355 -4.393 5.910 1.00 0.00 O ATOM 645 CB HIS A 50 -5.391 -5.146 4.210 1.00 0.00 C ATOM 646 CG HIS A 50 -4.553 -5.788 3.143 1.00 0.00 C ATOM 647 ND1 HIS A 50 -4.908 -6.401 1.988 1.00 0.00 N flip ATOM 648 CD2 HIS A 50 -3.180 -5.867 3.203 1.00 0.00 C flip ATOM 649 CE1 HIS A 50 -3.754 -6.832 1.378 1.00 0.00 C flip ATOM 650 NE2 HIS A 50 -2.725 -6.495 2.135 1.00 0.00 N flip ATOM 0 H HIS A 50 -6.839 -7.261 4.142 1.00 0.00 H new ATOM 0 HA HIS A 50 -4.780 -6.233 5.981 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -6.334 -4.822 3.769 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -4.881 -4.251 4.566 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -5.858 -6.521 1.636 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.568 -5.475 4.002 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -3.698 -7.358 0.437 1.00 0.00 H new ATOM 658 N CYS A 51 -6.897 -5.877 7.528 1.00 0.00 N ATOM 659 CA CYS A 51 -7.875 -5.304 8.451 1.00 0.00 C ATOM 660 C CYS A 51 -7.280 -4.243 9.374 1.00 0.00 C ATOM 661 O CYS A 51 -8.011 -3.645 10.162 1.00 0.00 O ATOM 662 CB CYS A 51 -8.536 -6.397 9.298 1.00 0.00 C ATOM 663 SG CYS A 51 -9.660 -7.503 8.376 1.00 0.00 S ATOM 0 H CYS A 51 -6.384 -6.679 7.895 1.00 0.00 H new ATOM 0 HA CYS A 51 -8.622 -4.816 7.825 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -7.755 -7.000 9.762 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -9.095 -5.924 10.105 1.00 0.00 H new ATOM 668 N HIS A 52 -5.978 -3.980 9.291 1.00 0.00 N ATOM 669 CA HIS A 52 -5.391 -2.964 10.146 1.00 0.00 C ATOM 670 C HIS A 52 -4.820 -1.816 9.322 1.00 0.00 C ATOM 671 O HIS A 52 -5.211 -1.617 8.170 1.00 0.00 O ATOM 672 CB HIS A 52 -4.352 -3.548 11.135 1.00 0.00 C ATOM 673 CG HIS A 52 -3.118 -4.162 10.537 1.00 0.00 C ATOM 674 ND1 HIS A 52 -2.212 -3.460 9.777 1.00 0.00 N ATOM 675 CD2 HIS A 52 -2.621 -5.420 10.636 1.00 0.00 C ATOM 676 CE1 HIS A 52 -1.218 -4.255 9.430 1.00 0.00 C ATOM 677 NE2 HIS A 52 -1.437 -5.453 9.938 1.00 0.00 N ATOM 0 H HIS A 52 -5.328 -4.445 8.657 1.00 0.00 H new ATOM 0 HA HIS A 52 -6.194 -2.559 10.761 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -4.042 -2.751 11.811 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -4.849 -4.305 11.741 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -3.073 -6.245 11.166 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.366 -3.972 8.830 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -0.830 -6.266 9.831 1.00 0.00 H new ATOM 685 N GLY A 53 -3.921 -1.045 9.918 1.00 0.00 N ATOM 686 CA GLY A 53 -3.341 0.084 9.221 1.00 0.00 C ATOM 687 C GLY A 53 -4.356 1.179 8.984 1.00 0.00 C ATOM 688 O GLY A 53 -5.072 1.572 9.905 1.00 0.00 O ATOM 0 H GLY A 53 -3.584 -1.181 10.871 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.508 0.480 9.801 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.935 -0.248 8.266 1.00 0.00 H new ATOM 692 N VAL A 54 -4.433 1.669 7.753 1.00 0.00 N ATOM 693 CA VAL A 54 -5.380 2.724 7.420 1.00 0.00 C ATOM 694 C VAL A 54 -6.803 2.185 7.298 1.00 0.00 C ATOM 695 O VAL A 54 -7.767 2.951 7.357 1.00 0.00 O ATOM 696 CB VAL A 54 -5.009 3.436 6.100 1.00 0.00 C ATOM 697 CG1 VAL A 54 -3.623 4.056 6.170 1.00 0.00 C ATOM 698 CG2 VAL A 54 -5.083 2.476 4.934 1.00 0.00 C ATOM 0 H VAL A 54 -3.855 1.355 6.974 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.331 3.441 8.240 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.734 4.236 5.950 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.396 4.548 5.224 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.592 4.789 6.976 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.885 3.277 6.360 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.818 2.999 4.015 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.388 1.652 5.096 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.097 2.084 4.849 1.00 0.00 H new ATOM 708 N CYS A 55 -6.948 0.874 7.114 1.00 0.00 N ATOM 709 CA CYS A 55 -8.277 0.300 6.970 1.00 0.00 C ATOM 710 C CYS A 55 -8.918 0.064 8.316 1.00 0.00 C ATOM 711 O CYS A 55 -10.129 0.029 8.419 1.00 0.00 O ATOM 712 CB CYS A 55 -8.255 -0.985 6.153 1.00 0.00 C ATOM 713 SG CYS A 55 -9.779 -1.230 5.182 1.00 0.00 S ATOM 0 H CYS A 55 -6.179 0.206 7.062 1.00 0.00 H new ATOM 0 HA CYS A 55 -8.880 1.026 6.425 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -7.399 -0.967 5.479 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -8.116 -1.834 6.823 1.00 0.00 H new ATOM 718 N LYS A 56 -8.116 -0.066 9.354 1.00 0.00 N ATOM 719 CA LYS A 56 -8.674 -0.260 10.688 1.00 0.00 C ATOM 720 C LYS A 56 -9.175 1.084 11.217 1.00 0.00 C ATOM 721 O LYS A 56 -9.895 1.154 12.212 1.00 0.00 O ATOM 722 CB LYS A 56 -7.637 -0.880 11.641 1.00 0.00 C ATOM 723 CG LYS A 56 -6.744 0.121 12.370 1.00 0.00 C ATOM 724 CD LYS A 56 -7.261 0.395 13.779 1.00 0.00 C ATOM 725 CE LYS A 56 -6.460 1.481 14.483 1.00 0.00 C ATOM 726 NZ LYS A 56 -5.009 1.153 14.549 1.00 0.00 N ATOM 0 H LYS A 56 -7.097 -0.042 9.309 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.509 -0.958 10.630 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.163 -1.481 12.383 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.004 -1.560 11.071 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.726 -0.266 12.422 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.703 1.053 11.807 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.308 0.693 13.729 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.219 -0.523 14.365 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.594 2.427 13.959 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.846 1.619 15.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.526 1.838 15.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.887 0.195 14.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.599 1.197 13.594 1.00 0.00 H new ATOM 740 N ASP A 57 -8.767 2.149 10.530 1.00 0.00 N ATOM 741 CA ASP A 57 -9.134 3.509 10.899 1.00 0.00 C ATOM 742 C ASP A 57 -10.426 3.954 10.211 1.00 0.00 C ATOM 743 O ASP A 57 -11.399 4.300 10.878 1.00 0.00 O ATOM 744 CB ASP A 57 -7.992 4.463 10.534 1.00 0.00 C ATOM 745 CG ASP A 57 -8.223 5.872 11.022 1.00 0.00 C ATOM 746 OD1 ASP A 57 -8.308 6.068 12.249 1.00 0.00 O ATOM 747 OD2 ASP A 57 -8.301 6.787 10.180 1.00 0.00 O ATOM 0 H ASP A 57 -8.173 2.091 9.703 1.00 0.00 H new ATOM 0 HA ASP A 57 -9.309 3.532 11.975 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.061 4.086 10.957 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.868 4.475 9.451 1.00 0.00 H new ATOM 752 N LEU A 58 -10.426 3.960 8.879 1.00 0.00 N ATOM 753 CA LEU A 58 -11.601 4.388 8.118 1.00 0.00 C ATOM 754 C LEU A 58 -12.643 3.274 8.032 1.00 0.00 C ATOM 755 O LEU A 58 -13.664 3.317 8.718 1.00 0.00 O ATOM 756 CB LEU A 58 -11.193 4.841 6.709 1.00 0.00 C ATOM 757 CG LEU A 58 -12.261 5.621 5.934 1.00 0.00 C ATOM 758 CD1 LEU A 58 -12.632 6.899 6.672 1.00 0.00 C ATOM 759 CD2 LEU A 58 -11.770 5.939 4.530 1.00 0.00 C ATOM 0 H LEU A 58 -9.631 3.675 8.306 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.049 5.231 8.645 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.301 5.462 6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -10.917 3.961 6.128 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.153 5.000 5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -13.391 7.439 6.106 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -13.024 6.649 7.658 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.747 7.526 6.781 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -12.539 6.493 3.992 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.864 6.541 4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.555 5.011 4.001 1.00 0.00 H new ATOM 771 N HIS A 59 -12.387 2.280 7.189 1.00 0.00 N ATOM 772 CA HIS A 59 -13.311 1.162 7.029 1.00 0.00 C ATOM 773 C HIS A 59 -12.942 0.063 8.017 1.00 0.00 C ATOM 774 O HIS A 59 -12.750 0.335 9.204 1.00 0.00 O ATOM 775 CB HIS A 59 -13.267 0.611 5.596 1.00 0.00 C ATOM 776 CG HIS A 59 -13.391 1.652 4.525 1.00 0.00 C ATOM 777 ND1 HIS A 59 -14.469 2.502 4.416 1.00 0.00 N ATOM 778 CD2 HIS A 59 -12.560 1.972 3.507 1.00 0.00 C ATOM 779 CE1 HIS A 59 -14.298 3.297 3.375 1.00 0.00 C ATOM 780 NE2 HIS A 59 -13.144 2.997 2.806 1.00 0.00 N ATOM 0 H HIS A 59 -11.551 2.225 6.608 1.00 0.00 H new ATOM 0 HA HIS A 59 -14.324 1.514 7.225 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -12.329 0.074 5.456 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -14.071 -0.115 5.475 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -15.274 2.516 5.042 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -11.611 1.506 3.286 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -14.985 4.062 3.045 1.00 0.00 H new ATOM 788 N LEU A 60 -12.808 -1.167 7.523 1.00 0.00 N ATOM 789 CA LEU A 60 -12.417 -2.285 8.356 1.00 0.00 C ATOM 790 C LEU A 60 -12.105 -3.489 7.479 1.00 0.00 C ATOM 791 O LEU A 60 -10.962 -3.684 7.063 1.00 0.00 O ATOM 792 CB LEU A 60 -13.508 -2.625 9.375 1.00 0.00 C ATOM 793 CG LEU A 60 -12.974 -3.125 10.716 1.00 0.00 C ATOM 794 CD1 LEU A 60 -11.965 -2.132 11.277 1.00 0.00 C ATOM 795 CD2 LEU A 60 -14.113 -3.341 11.701 1.00 0.00 C ATOM 0 H LEU A 60 -12.967 -1.407 6.545 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.523 -2.008 8.915 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -14.119 -1.739 9.547 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -14.163 -3.386 8.950 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.476 -4.082 10.558 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.589 -2.496 12.233 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.135 -2.023 10.579 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.447 -1.165 11.421 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.711 -3.697 12.650 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.640 -2.400 11.860 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.806 -4.081 11.300 1.00 0.00 H new ATOM 807 N CYS A 61 -13.148 -4.259 7.181 1.00 0.00 N ATOM 808 CA CYS A 61 -13.066 -5.453 6.329 1.00 0.00 C ATOM 809 C CYS A 61 -14.342 -6.277 6.435 1.00 0.00 C ATOM 810 O CYS A 61 -15.415 -5.681 6.641 1.00 0.00 O ATOM 811 CB CYS A 61 -11.852 -6.340 6.655 1.00 0.00 C ATOM 812 SG CYS A 61 -11.466 -6.565 8.424 1.00 0.00 S ATOM 813 OXT CYS A 61 -14.263 -7.515 6.305 1.00 0.00 O ATOM 0 H CYS A 61 -14.089 -4.073 7.527 1.00 0.00 H new ATOM 0 HA CYS A 61 -12.942 -5.092 5.308 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.018 -7.323 6.214 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -10.976 -5.914 6.165 1.00 0.00 H new ATOM 1003 N CYS B 74 16.167 -9.644 5.813 1.00 0.00 N ATOM 1004 CA CYS B 74 15.243 -8.687 6.411 1.00 0.00 C ATOM 1005 C CYS B 74 14.110 -9.383 7.136 1.00 0.00 C ATOM 1006 O CYS B 74 13.375 -8.747 7.891 1.00 0.00 O ATOM 1007 CB CYS B 74 14.668 -7.742 5.362 1.00 0.00 C ATOM 1008 SG CYS B 74 13.636 -8.545 4.095 1.00 0.00 S ATOM 0 HA CYS B 74 15.817 -8.108 7.134 1.00 0.00 H new ATOM 0 HB2 CYS B 74 14.073 -6.981 5.866 1.00 0.00 H new ATOM 0 HB3 CYS B 74 15.491 -7.227 4.867 1.00 0.00 H new ATOM 1013 N ALA B 75 13.968 -10.683 6.906 1.00 0.00 N ATOM 1014 CA ALA B 75 12.913 -11.463 7.542 1.00 0.00 C ATOM 1015 C ALA B 75 13.026 -11.408 9.061 1.00 0.00 C ATOM 1016 O ALA B 75 12.022 -11.377 9.764 1.00 0.00 O ATOM 1017 CB ALA B 75 12.954 -12.903 7.057 1.00 0.00 C ATOM 0 H ALA B 75 14.571 -11.220 6.283 1.00 0.00 H new ATOM 0 HA ALA B 75 11.955 -11.026 7.262 1.00 0.00 H new ATOM 0 HB1 ALA B 75 12.160 -13.473 7.541 1.00 0.00 H new ATOM 0 HB2 ALA B 75 12.811 -12.927 5.977 1.00 0.00 H new ATOM 0 HB3 ALA B 75 13.920 -13.343 7.305 1.00 0.00 H new ATOM 1023 N ALA B 76 14.258 -11.379 9.558 1.00 0.00 N ATOM 1024 CA ALA B 76 14.509 -11.319 10.996 1.00 0.00 C ATOM 1025 C ALA B 76 14.217 -9.935 11.578 1.00 0.00 C ATOM 1026 O ALA B 76 14.377 -9.716 12.778 1.00 0.00 O ATOM 1027 CB ALA B 76 15.949 -11.711 11.289 1.00 0.00 C ATOM 0 H ALA B 76 15.102 -11.396 8.985 1.00 0.00 H new ATOM 0 HA ALA B 76 13.829 -12.024 11.474 1.00 0.00 H new ATOM 0 HB1 ALA B 76 16.128 -11.664 12.363 1.00 0.00 H new ATOM 0 HB2 ALA B 76 16.129 -12.726 10.936 1.00 0.00 H new ATOM 0 HB3 ALA B 76 16.624 -11.024 10.778 1.00 0.00 H new ATOM 1033 N ALA B 77 13.800 -8.998 10.735 1.00 0.00 N ATOM 1034 CA ALA B 77 13.506 -7.644 11.196 1.00 0.00 C ATOM 1035 C ALA B 77 12.087 -7.209 10.828 1.00 0.00 C ATOM 1036 O ALA B 77 11.600 -6.194 11.323 1.00 0.00 O ATOM 1037 CB ALA B 77 14.521 -6.664 10.627 1.00 0.00 C ATOM 0 H ALA B 77 13.658 -9.147 9.736 1.00 0.00 H new ATOM 0 HA ALA B 77 13.576 -7.646 12.284 1.00 0.00 H new ATOM 0 HB1 ALA B 77 14.291 -5.658 10.978 1.00 0.00 H new ATOM 0 HB2 ALA B 77 15.521 -6.944 10.957 1.00 0.00 H new ATOM 0 HB3 ALA B 77 14.478 -6.687 9.538 1.00 0.00 H new ATOM 1043 N ILE B 78 11.435 -7.964 9.952 1.00 0.00 N ATOM 1044 CA ILE B 78 10.080 -7.633 9.516 1.00 0.00 C ATOM 1045 C ILE B 78 9.061 -8.582 10.138 1.00 0.00 C ATOM 1046 O ILE B 78 8.021 -8.157 10.642 1.00 0.00 O ATOM 1047 CB ILE B 78 9.999 -7.650 7.960 1.00 0.00 C ATOM 1048 CG1 ILE B 78 8.654 -7.111 7.427 1.00 0.00 C ATOM 1049 CG2 ILE B 78 10.284 -9.033 7.384 1.00 0.00 C ATOM 1050 CD1 ILE B 78 7.524 -8.123 7.428 1.00 0.00 C ATOM 0 H ILE B 78 11.820 -8.809 9.529 1.00 0.00 H new ATOM 0 HA ILE B 78 9.838 -6.627 9.858 1.00 0.00 H new ATOM 0 HB ILE B 78 10.782 -6.973 7.619 1.00 0.00 H new ATOM 0 HG12 ILE B 78 8.357 -6.253 8.030 1.00 0.00 H new ATOM 0 HG13 ILE B 78 8.800 -6.750 6.409 1.00 0.00 H new ATOM 0 HG21 ILE B 78 10.216 -8.995 6.297 1.00 0.00 H new ATOM 0 HG22 ILE B 78 11.286 -9.349 7.674 1.00 0.00 H new ATOM 0 HG23 ILE B 78 9.554 -9.745 7.769 1.00 0.00 H new ATOM 0 HD11 ILE B 78 6.619 -7.658 7.038 1.00 0.00 H new ATOM 0 HD12 ILE B 78 7.795 -8.972 6.800 1.00 0.00 H new ATOM 0 HD13 ILE B 78 7.345 -8.467 8.447 1.00 0.00 H new ATOM 1062 N ALA B 79 9.376 -9.867 10.083 1.00 0.00 N ATOM 1063 CA ALA B 79 8.502 -10.920 10.614 1.00 0.00 C ATOM 1064 C ALA B 79 8.170 -10.729 12.095 1.00 0.00 C ATOM 1065 O ALA B 79 7.154 -11.230 12.574 1.00 0.00 O ATOM 1066 CB ALA B 79 9.125 -12.291 10.398 1.00 0.00 C ATOM 0 H ALA B 79 10.241 -10.216 9.671 1.00 0.00 H new ATOM 0 HA ALA B 79 7.565 -10.850 10.062 1.00 0.00 H new ATOM 0 HB1 ALA B 79 8.463 -13.059 10.798 1.00 0.00 H new ATOM 0 HB2 ALA B 79 9.273 -12.459 9.331 1.00 0.00 H new ATOM 0 HB3 ALA B 79 10.086 -12.339 10.910 1.00 0.00 H new ATOM 1072 N GLY B 80 9.017 -10.007 12.816 1.00 0.00 N ATOM 1073 CA GLY B 80 8.770 -9.778 14.228 1.00 0.00 C ATOM 1074 C GLY B 80 7.677 -8.755 14.458 1.00 0.00 C ATOM 1075 O GLY B 80 7.014 -8.766 15.495 1.00 0.00 O ATOM 0 H GLY B 80 9.867 -9.577 12.452 1.00 0.00 H new ATOM 0 HA2 GLY B 80 8.491 -10.718 14.704 1.00 0.00 H new ATOM 0 HA3 GLY B 80 9.689 -9.439 14.706 1.00 0.00 H new ATOM 1079 N ALA B 81 7.482 -7.874 13.482 1.00 0.00 N ATOM 1080 CA ALA B 81 6.460 -6.843 13.575 1.00 0.00 C ATOM 1081 C ALA B 81 5.089 -7.384 13.186 1.00 0.00 C ATOM 1082 O ALA B 81 4.062 -6.776 13.491 1.00 0.00 O ATOM 1083 CB ALA B 81 6.820 -5.653 12.701 1.00 0.00 C ATOM 0 H ALA B 81 8.021 -7.855 12.616 1.00 0.00 H new ATOM 0 HA ALA B 81 6.413 -6.517 14.614 1.00 0.00 H new ATOM 0 HB1 ALA B 81 6.044 -4.893 12.784 1.00 0.00 H new ATOM 0 HB2 ALA B 81 7.773 -5.236 13.028 1.00 0.00 H new ATOM 0 HB3 ALA B 81 6.902 -5.976 11.663 1.00 0.00 H new ATOM 1089 N VAL B 82 5.078 -8.529 12.515 1.00 0.00 N ATOM 1090 CA VAL B 82 3.849 -9.159 12.087 1.00 0.00 C ATOM 1091 C VAL B 82 2.990 -9.542 13.289 1.00 0.00 C ATOM 1092 O VAL B 82 1.785 -9.286 13.316 1.00 0.00 O ATOM 1093 CB VAL B 82 4.166 -10.407 11.247 1.00 0.00 C ATOM 1094 CG1 VAL B 82 2.895 -11.075 10.785 1.00 0.00 C ATOM 1095 CG2 VAL B 82 5.046 -10.043 10.060 1.00 0.00 C ATOM 0 H VAL B 82 5.921 -9.041 12.256 1.00 0.00 H new ATOM 0 HA VAL B 82 3.290 -8.448 11.478 1.00 0.00 H new ATOM 0 HB VAL B 82 4.712 -11.112 11.873 1.00 0.00 H new ATOM 0 HG11 VAL B 82 3.142 -11.956 10.192 1.00 0.00 H new ATOM 0 HG12 VAL B 82 2.305 -11.374 11.652 1.00 0.00 H new ATOM 0 HG13 VAL B 82 2.318 -10.378 10.177 1.00 0.00 H new ATOM 0 HG21 VAL B 82 5.260 -10.939 9.477 1.00 0.00 H new ATOM 0 HG22 VAL B 82 4.529 -9.317 9.433 1.00 0.00 H new ATOM 0 HG23 VAL B 82 5.981 -9.612 10.419 1.00 0.00 H new ATOM 1105 N ALA B 83 3.627 -10.145 14.289 1.00 0.00 N ATOM 1106 CA ALA B 83 2.937 -10.560 15.507 1.00 0.00 C ATOM 1107 C ALA B 83 2.468 -9.357 16.321 1.00 0.00 C ATOM 1108 O ALA B 83 1.450 -9.421 17.006 1.00 0.00 O ATOM 1109 CB ALA B 83 3.845 -11.438 16.354 1.00 0.00 C ATOM 0 H ALA B 83 4.624 -10.358 14.279 1.00 0.00 H new ATOM 0 HA ALA B 83 2.057 -11.131 15.211 1.00 0.00 H new ATOM 0 HB1 ALA B 83 3.318 -11.740 17.259 1.00 0.00 H new ATOM 0 HB2 ALA B 83 4.128 -12.324 15.786 1.00 0.00 H new ATOM 0 HB3 ALA B 83 4.741 -10.880 16.625 1.00 0.00 H new ATOM 1115 N ALA B 84 3.220 -8.262 16.239 1.00 0.00 N ATOM 1116 CA ALA B 84 2.889 -7.044 16.970 1.00 0.00 C ATOM 1117 C ALA B 84 1.617 -6.396 16.431 1.00 0.00 C ATOM 1118 O ALA B 84 0.826 -5.843 17.191 1.00 0.00 O ATOM 1119 CB ALA B 84 4.046 -6.058 16.914 1.00 0.00 C ATOM 0 H ALA B 84 4.065 -8.195 15.672 1.00 0.00 H new ATOM 0 HA ALA B 84 2.710 -7.321 18.009 1.00 0.00 H new ATOM 0 HB1 ALA B 84 3.782 -5.155 17.464 1.00 0.00 H new ATOM 0 HB2 ALA B 84 4.931 -6.510 17.362 1.00 0.00 H new ATOM 0 HB3 ALA B 84 4.255 -5.801 15.876 1.00 0.00 H new ATOM 1125 N CYS B 85 1.423 -6.466 15.121 1.00 0.00 N ATOM 1126 CA CYS B 85 0.239 -5.882 14.495 1.00 0.00 C ATOM 1127 C CYS B 85 -0.884 -6.896 14.354 1.00 0.00 C ATOM 1128 O CYS B 85 -2.015 -6.529 14.041 1.00 0.00 O ATOM 1129 CB CYS B 85 0.574 -5.322 13.115 1.00 0.00 C ATOM 1130 SG CYS B 85 1.392 -3.693 13.136 1.00 0.00 S ATOM 0 H CYS B 85 2.066 -6.919 14.471 1.00 0.00 H new ATOM 0 HA CYS B 85 -0.096 -5.077 15.149 1.00 0.00 H new ATOM 0 HB2 CYS B 85 1.219 -6.031 12.596 1.00 0.00 H new ATOM 0 HB3 CYS B 85 -0.346 -5.245 12.535 1.00 0.00 H new ATOM 1135 N GLY B 86 -0.570 -8.168 14.563 1.00 0.00 N ATOM 1136 CA GLY B 86 -1.573 -9.205 14.426 1.00 0.00 C ATOM 1137 C GLY B 86 -1.978 -9.391 12.980 1.00 0.00 C ATOM 1138 O GLY B 86 -3.159 -9.534 12.664 1.00 0.00 O ATOM 0 H GLY B 86 0.359 -8.499 14.824 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -1.185 -10.144 14.821 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -2.449 -8.947 15.021 1.00 0.00 H new ATOM 1142 N GLY B 87 -0.984 -9.373 12.103 1.00 0.00 N ATOM 1143 CA GLY B 87 -1.225 -9.526 10.684 1.00 0.00 C ATOM 1144 C GLY B 87 -0.161 -8.823 9.871 1.00 0.00 C ATOM 1145 O GLY B 87 0.249 -7.710 10.211 1.00 0.00 O ATOM 0 H GLY B 87 -0.003 -9.253 12.355 1.00 0.00 H new ATOM 0 HA2 GLY B 87 -1.242 -10.585 10.427 1.00 0.00 H new ATOM 0 HA3 GLY B 87 -2.205 -9.121 10.433 1.00 0.00 H new ATOM 1149 N ILE B 88 0.307 -9.462 8.809 1.00 0.00 N ATOM 1150 CA ILE B 88 1.343 -8.868 7.979 1.00 0.00 C ATOM 1151 C ILE B 88 0.756 -8.051 6.832 1.00 0.00 C ATOM 1152 O ILE B 88 0.131 -8.588 5.918 1.00 0.00 O ATOM 1153 CB ILE B 88 2.315 -9.926 7.411 1.00 0.00 C ATOM 1154 CG1 ILE B 88 3.200 -9.293 6.341 1.00 0.00 C ATOM 1155 CG2 ILE B 88 1.564 -11.127 6.853 1.00 0.00 C ATOM 1156 CD1 ILE B 88 4.202 -8.306 6.890 1.00 0.00 C ATOM 0 H ILE B 88 -0.010 -10.382 8.504 1.00 0.00 H new ATOM 0 HA ILE B 88 1.902 -8.201 8.635 1.00 0.00 H new ATOM 0 HB ILE B 88 2.945 -10.287 8.224 1.00 0.00 H new ATOM 0 HG12 ILE B 88 3.733 -10.081 5.810 1.00 0.00 H new ATOM 0 HG13 ILE B 88 2.568 -8.788 5.611 1.00 0.00 H new ATOM 0 HG21 ILE B 88 2.277 -11.852 6.461 1.00 0.00 H new ATOM 0 HG22 ILE B 88 0.975 -11.589 7.646 1.00 0.00 H new ATOM 0 HG23 ILE B 88 0.901 -10.801 6.052 1.00 0.00 H new ATOM 0 HD11 ILE B 88 4.795 -7.897 6.072 1.00 0.00 H new ATOM 0 HD12 ILE B 88 3.676 -7.497 7.396 1.00 0.00 H new ATOM 0 HD13 ILE B 88 4.859 -8.811 7.598 1.00 0.00 H new ATOM 1168 N ASP B 89 0.985 -6.748 6.884 1.00 0.00 N ATOM 1169 CA ASP B 89 0.508 -5.841 5.853 1.00 0.00 C ATOM 1170 C ASP B 89 1.651 -4.945 5.390 1.00 0.00 C ATOM 1171 O ASP B 89 2.407 -5.318 4.496 1.00 0.00 O ATOM 1172 CB ASP B 89 -0.651 -4.986 6.371 1.00 0.00 C ATOM 1173 CG ASP B 89 -1.888 -5.794 6.721 1.00 0.00 C ATOM 1174 OD1 ASP B 89 -1.776 -6.772 7.489 1.00 0.00 O ATOM 1175 OD2 ASP B 89 -2.975 -5.433 6.259 1.00 0.00 O ATOM 0 H ASP B 89 1.503 -6.293 7.636 1.00 0.00 H new ATOM 0 HA ASP B 89 0.145 -6.432 5.012 1.00 0.00 H new ATOM 0 HB2 ASP B 89 -0.322 -4.438 7.254 1.00 0.00 H new ATOM 0 HB3 ASP B 89 -0.912 -4.245 5.615 1.00 0.00 H new ATOM 1180 N LEU B 90 1.774 -3.776 6.031 1.00 0.00 N ATOM 1181 CA LEU B 90 2.824 -2.794 5.731 1.00 0.00 C ATOM 1182 C LEU B 90 2.624 -1.525 6.571 1.00 0.00 C ATOM 1183 O LEU B 90 3.550 -1.112 7.263 1.00 0.00 O ATOM 1184 CB LEU B 90 2.886 -2.459 4.223 1.00 0.00 C ATOM 1185 CG LEU B 90 3.778 -1.271 3.806 1.00 0.00 C ATOM 1186 CD1 LEU B 90 5.159 -1.316 4.452 1.00 0.00 C ATOM 1187 CD2 LEU B 90 3.925 -1.244 2.293 1.00 0.00 C ATOM 0 H LEU B 90 1.144 -3.483 6.777 1.00 0.00 H new ATOM 0 HA LEU B 90 3.782 -3.240 5.997 1.00 0.00 H new ATOM 0 HB2 LEU B 90 3.233 -3.346 3.693 1.00 0.00 H new ATOM 0 HB3 LEU B 90 1.872 -2.258 3.878 1.00 0.00 H new ATOM 0 HG LEU B 90 3.286 -0.364 4.156 1.00 0.00 H new ATOM 0 HD11 LEU B 90 5.743 -0.456 4.123 1.00 0.00 H new ATOM 0 HD12 LEU B 90 5.054 -1.290 5.537 1.00 0.00 H new ATOM 0 HD13 LEU B 90 5.668 -2.234 4.159 1.00 0.00 H new ATOM 0 HD21 LEU B 90 4.556 -0.403 2.004 1.00 0.00 H new ATOM 0 HD22 LEU B 90 4.382 -2.174 1.955 1.00 0.00 H new ATOM 0 HD23 LEU B 90 2.942 -1.135 1.834 1.00 0.00 H new ATOM 1199 N PRO B 91 1.420 -0.883 6.523 1.00 0.00 N ATOM 1200 CA PRO B 91 1.123 0.346 7.280 1.00 0.00 C ATOM 1201 C PRO B 91 1.772 0.426 8.666 1.00 0.00 C ATOM 1202 O PRO B 91 2.578 1.320 8.923 1.00 0.00 O ATOM 1203 CB PRO B 91 -0.396 0.300 7.408 1.00 0.00 C ATOM 1204 CG PRO B 91 -0.861 -0.361 6.154 1.00 0.00 C ATOM 1205 CD PRO B 91 0.247 -1.285 5.707 1.00 0.00 C ATOM 0 HA PRO B 91 1.523 1.221 6.768 1.00 0.00 H new ATOM 0 HB2 PRO B 91 -0.702 -0.263 8.290 1.00 0.00 H new ATOM 0 HB3 PRO B 91 -0.816 1.301 7.507 1.00 0.00 H new ATOM 0 HG2 PRO B 91 -1.781 -0.918 6.330 1.00 0.00 H new ATOM 0 HG3 PRO B 91 -1.079 0.380 5.385 1.00 0.00 H new ATOM 0 HD2 PRO B 91 -0.015 -2.329 5.876 1.00 0.00 H new ATOM 0 HD3 PRO B 91 0.449 -1.176 4.641 1.00 0.00 H new ATOM 1213 N CYS B 92 1.411 -0.484 9.565 1.00 0.00 N ATOM 1214 CA CYS B 92 1.967 -0.457 10.914 1.00 0.00 C ATOM 1215 C CYS B 92 3.229 -1.296 11.036 1.00 0.00 C ATOM 1216 O CYS B 92 4.110 -0.990 11.839 1.00 0.00 O ATOM 1217 CB CYS B 92 0.940 -0.928 11.941 1.00 0.00 C ATOM 1218 SG CYS B 92 0.387 -2.648 11.714 1.00 0.00 S ATOM 0 H CYS B 92 0.747 -1.238 9.389 1.00 0.00 H new ATOM 0 HA CYS B 92 2.231 0.581 11.117 1.00 0.00 H new ATOM 0 HB2 CYS B 92 1.367 -0.825 12.938 1.00 0.00 H new ATOM 0 HB3 CYS B 92 0.072 -0.271 11.897 1.00 0.00 H new ATOM 1223 N VAL B 93 3.301 -2.362 10.252 1.00 0.00 N ATOM 1224 CA VAL B 93 4.438 -3.269 10.267 1.00 0.00 C ATOM 1225 C VAL B 93 5.749 -2.534 9.965 1.00 0.00 C ATOM 1226 O VAL B 93 6.819 -2.925 10.432 1.00 0.00 O ATOM 1227 CB VAL B 93 4.224 -4.397 9.240 1.00 0.00 C ATOM 1228 CG1 VAL B 93 5.148 -5.552 9.533 1.00 0.00 C ATOM 1229 CG2 VAL B 93 2.775 -4.861 9.243 1.00 0.00 C ATOM 0 H VAL B 93 2.572 -2.622 9.588 1.00 0.00 H new ATOM 0 HA VAL B 93 4.513 -3.694 11.268 1.00 0.00 H new ATOM 0 HB VAL B 93 4.455 -4.008 8.248 1.00 0.00 H new ATOM 0 HG11 VAL B 93 4.986 -6.342 8.800 1.00 0.00 H new ATOM 0 HG12 VAL B 93 6.183 -5.213 9.479 1.00 0.00 H new ATOM 0 HG13 VAL B 93 4.944 -5.937 10.532 1.00 0.00 H new ATOM 0 HG21 VAL B 93 2.647 -5.658 8.510 1.00 0.00 H new ATOM 0 HG22 VAL B 93 2.514 -5.233 10.234 1.00 0.00 H new ATOM 0 HG23 VAL B 93 2.125 -4.025 8.987 1.00 0.00 H new ATOM 1239 N LEU B 94 5.647 -1.465 9.184 1.00 0.00 N ATOM 1240 CA LEU B 94 6.801 -0.655 8.804 1.00 0.00 C ATOM 1241 C LEU B 94 7.468 -0.009 10.020 1.00 0.00 C ATOM 1242 O LEU B 94 8.683 0.204 10.037 1.00 0.00 O ATOM 1243 CB LEU B 94 6.355 0.451 7.852 1.00 0.00 C ATOM 1244 CG LEU B 94 7.471 1.353 7.333 1.00 0.00 C ATOM 1245 CD1 LEU B 94 8.033 0.814 6.031 1.00 0.00 C ATOM 1246 CD2 LEU B 94 6.963 2.768 7.153 1.00 0.00 C ATOM 0 H LEU B 94 4.763 -1.135 8.796 1.00 0.00 H new ATOM 0 HA LEU B 94 7.522 -1.316 8.323 1.00 0.00 H new ATOM 0 HB2 LEU B 94 5.854 -0.007 6.999 1.00 0.00 H new ATOM 0 HB3 LEU B 94 5.617 1.070 8.361 1.00 0.00 H new ATOM 0 HG LEU B 94 8.275 1.367 8.069 1.00 0.00 H new ATOM 0 HD11 LEU B 94 8.827 1.471 5.678 1.00 0.00 H new ATOM 0 HD12 LEU B 94 8.435 -0.186 6.195 1.00 0.00 H new ATOM 0 HD13 LEU B 94 7.241 0.768 5.284 1.00 0.00 H new ATOM 0 HD21 LEU B 94 7.770 3.400 6.782 1.00 0.00 H new ATOM 0 HD22 LEU B 94 6.141 2.771 6.437 1.00 0.00 H new ATOM 0 HD23 LEU B 94 6.611 3.153 8.110 1.00 0.00 H new ATOM 1258 N ALA B 95 6.658 0.337 11.016 1.00 0.00 N ATOM 1259 CA ALA B 95 7.143 1.005 12.224 1.00 0.00 C ATOM 1260 C ALA B 95 8.129 0.166 13.040 1.00 0.00 C ATOM 1261 O ALA B 95 8.805 0.699 13.917 1.00 0.00 O ATOM 1262 CB ALA B 95 5.970 1.414 13.102 1.00 0.00 C ATOM 0 H ALA B 95 5.653 0.165 11.011 1.00 0.00 H new ATOM 0 HA ALA B 95 7.690 1.884 11.884 1.00 0.00 H new ATOM 0 HB1 ALA B 95 6.342 1.910 13.998 1.00 0.00 H new ATOM 0 HB2 ALA B 95 5.324 2.097 12.551 1.00 0.00 H new ATOM 0 HB3 ALA B 95 5.402 0.528 13.387 1.00 0.00 H new ATOM 1268 N ALA B 96 8.213 -1.133 12.781 1.00 0.00 N ATOM 1269 CA ALA B 96 9.129 -1.977 13.545 1.00 0.00 C ATOM 1270 C ALA B 96 10.029 -2.827 12.652 1.00 0.00 C ATOM 1271 O ALA B 96 10.574 -3.835 13.103 1.00 0.00 O ATOM 1272 CB ALA B 96 8.354 -2.866 14.507 1.00 0.00 C ATOM 0 H ALA B 96 7.672 -1.619 12.065 1.00 0.00 H new ATOM 0 HA ALA B 96 9.778 -1.308 14.110 1.00 0.00 H new ATOM 0 HB1 ALA B 96 9.051 -3.488 15.069 1.00 0.00 H new ATOM 0 HB2 ALA B 96 7.784 -2.245 15.198 1.00 0.00 H new ATOM 0 HB3 ALA B 96 7.671 -3.503 13.944 1.00 0.00 H new ATOM 1278 N LEU B 97 10.200 -2.431 11.397 1.00 0.00 N ATOM 1279 CA LEU B 97 11.052 -3.197 10.490 1.00 0.00 C ATOM 1280 C LEU B 97 12.379 -2.484 10.235 1.00 0.00 C ATOM 1281 O LEU B 97 13.284 -3.058 9.628 1.00 0.00 O ATOM 1282 CB LEU B 97 10.324 -3.482 9.167 1.00 0.00 C ATOM 1283 CG LEU B 97 10.938 -2.854 7.908 1.00 0.00 C ATOM 1284 CD1 LEU B 97 10.719 -3.759 6.711 1.00 0.00 C ATOM 1285 CD2 LEU B 97 10.348 -1.480 7.634 1.00 0.00 C ATOM 0 H LEU B 97 9.771 -1.601 10.988 1.00 0.00 H new ATOM 0 HA LEU B 97 11.275 -4.149 10.971 1.00 0.00 H new ATOM 0 HB2 LEU B 97 10.281 -4.562 9.025 1.00 0.00 H new ATOM 0 HB3 LEU B 97 9.296 -3.131 9.259 1.00 0.00 H new ATOM 0 HG LEU B 97 12.008 -2.737 8.079 1.00 0.00 H new ATOM 0 HD11 LEU B 97 11.159 -3.302 5.824 1.00 0.00 H new ATOM 0 HD12 LEU B 97 11.190 -4.725 6.894 1.00 0.00 H new ATOM 0 HD13 LEU B 97 9.650 -3.901 6.553 1.00 0.00 H new ATOM 0 HD21 LEU B 97 10.803 -1.061 6.736 1.00 0.00 H new ATOM 0 HD22 LEU B 97 9.272 -1.569 7.488 1.00 0.00 H new ATOM 0 HD23 LEU B 97 10.546 -0.823 8.481 1.00 0.00 H new ATOM 1297 N LYS B 98 12.468 -1.236 10.703 1.00 0.00 N ATOM 1298 CA LYS B 98 13.661 -0.393 10.542 1.00 0.00 C ATOM 1299 C LYS B 98 14.958 -1.188 10.736 1.00 0.00 C ATOM 1300 O LYS B 98 15.275 -1.624 11.846 1.00 0.00 O ATOM 1301 CB LYS B 98 13.592 0.768 11.539 1.00 0.00 C ATOM 1302 CG LYS B 98 14.637 1.853 11.318 1.00 0.00 C ATOM 1303 CD LYS B 98 14.379 3.050 12.226 1.00 0.00 C ATOM 1304 CE LYS B 98 15.399 4.160 12.017 1.00 0.00 C ATOM 1305 NZ LYS B 98 16.787 3.701 12.282 1.00 0.00 N ATOM 0 H LYS B 98 11.710 -0.777 11.208 1.00 0.00 H new ATOM 0 HA LYS B 98 13.674 -0.009 9.522 1.00 0.00 H new ATOM 0 HB2 LYS B 98 12.601 1.219 11.484 1.00 0.00 H new ATOM 0 HB3 LYS B 98 13.706 0.371 12.548 1.00 0.00 H new ATOM 0 HG2 LYS B 98 15.631 1.451 11.513 1.00 0.00 H new ATOM 0 HG3 LYS B 98 14.621 2.172 10.276 1.00 0.00 H new ATOM 0 HD2 LYS B 98 13.378 3.438 12.037 1.00 0.00 H new ATOM 0 HD3 LYS B 98 14.404 2.727 13.267 1.00 0.00 H new ATOM 0 HE2 LYS B 98 15.329 4.528 10.994 1.00 0.00 H new ATOM 0 HE3 LYS B 98 15.163 4.997 12.674 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 17.425 4.522 12.311 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 16.820 3.205 13.195 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 17.089 3.055 11.525 1.00 0.00 H new ATOM 1361 N CYS B 103 17.463 -3.382 3.824 1.00 0.00 N ATOM 1362 CA CYS B 103 16.533 -4.456 4.185 1.00 0.00 C ATOM 1363 C CYS B 103 15.085 -4.024 3.986 1.00 0.00 C ATOM 1364 O CYS B 103 14.168 -4.627 4.543 1.00 0.00 O ATOM 1365 CB CYS B 103 16.745 -4.941 5.623 1.00 0.00 C ATOM 1366 SG CYS B 103 18.029 -6.226 5.795 1.00 0.00 S ATOM 0 HA CYS B 103 16.744 -5.290 3.516 1.00 0.00 H new ATOM 0 HB2 CYS B 103 17.014 -4.088 6.247 1.00 0.00 H new ATOM 0 HB3 CYS B 103 15.802 -5.331 6.006 1.00 0.00 H new ATOM 0 HG CYS B 103 18.136 -6.568 7.045 1.00 0.00 H new ATOM 1371 N ALA B 104 14.880 -2.992 3.174 1.00 0.00 N ATOM 1372 CA ALA B 104 13.539 -2.498 2.886 1.00 0.00 C ATOM 1373 C ALA B 104 13.180 -2.769 1.434 1.00 0.00 C ATOM 1374 O ALA B 104 12.034 -2.587 1.018 1.00 0.00 O ATOM 1375 CB ALA B 104 13.435 -1.010 3.184 1.00 0.00 C ATOM 0 H ALA B 104 15.627 -2.481 2.703 1.00 0.00 H new ATOM 0 HA ALA B 104 12.835 -3.026 3.529 1.00 0.00 H new ATOM 0 HB1 ALA B 104 12.426 -0.664 2.961 1.00 0.00 H new ATOM 0 HB2 ALA B 104 13.655 -0.834 4.237 1.00 0.00 H new ATOM 0 HB3 ALA B 104 14.150 -0.465 2.568 1.00 0.00 H new ATOM 1381 N SER B 105 14.175 -3.200 0.670 1.00 0.00 N ATOM 1382 CA SER B 105 13.999 -3.500 -0.743 1.00 0.00 C ATOM 1383 C SER B 105 13.349 -4.866 -0.951 1.00 0.00 C ATOM 1384 O SER B 105 12.828 -5.151 -2.019 1.00 0.00 O ATOM 1385 CB SER B 105 15.356 -3.448 -1.443 1.00 0.00 C ATOM 1386 OG SER B 105 16.341 -4.137 -0.684 1.00 0.00 O ATOM 0 H SER B 105 15.124 -3.351 1.012 1.00 0.00 H new ATOM 0 HA SER B 105 13.332 -2.753 -1.173 1.00 0.00 H new ATOM 0 HB2 SER B 105 15.276 -3.894 -2.434 1.00 0.00 H new ATOM 0 HB3 SER B 105 15.658 -2.410 -1.584 1.00 0.00 H new ATOM 0 HG SER B 105 17.202 -4.094 -1.150 1.00 0.00 H new ATOM 1392 N CYS B 106 13.382 -5.703 0.078 1.00 0.00 N ATOM 1393 CA CYS B 106 12.787 -7.039 0.005 1.00 0.00 C ATOM 1394 C CYS B 106 11.275 -6.959 0.164 1.00 0.00 C ATOM 1395 O CYS B 106 10.519 -7.326 -0.732 1.00 0.00 O ATOM 1396 CB CYS B 106 13.372 -7.923 1.108 1.00 0.00 C ATOM 1397 SG CYS B 106 13.435 -7.073 2.719 1.00 0.00 S ATOM 0 H CYS B 106 13.814 -5.484 0.976 1.00 0.00 H new ATOM 0 HA CYS B 106 13.015 -7.470 -0.970 1.00 0.00 H new ATOM 0 HB2 CYS B 106 12.772 -8.828 1.201 1.00 0.00 H new ATOM 0 HB3 CYS B 106 14.377 -8.235 0.825 1.00 0.00 H new ATOM 1402 N PHE B 107 10.855 -6.474 1.324 1.00 0.00 N ATOM 1403 CA PHE B 107 9.447 -6.329 1.651 1.00 0.00 C ATOM 1404 C PHE B 107 8.764 -5.368 0.684 1.00 0.00 C ATOM 1405 O PHE B 107 7.829 -5.740 -0.020 1.00 0.00 O ATOM 1406 CB PHE B 107 9.327 -5.818 3.092 1.00 0.00 C ATOM 1407 CG PHE B 107 7.926 -5.723 3.633 1.00 0.00 C ATOM 1408 CD1 PHE B 107 6.825 -6.098 2.879 1.00 0.00 C ATOM 1409 CD2 PHE B 107 7.722 -5.253 4.914 1.00 0.00 C ATOM 1410 CE1 PHE B 107 5.552 -6.000 3.395 1.00 0.00 C ATOM 1411 CE2 PHE B 107 6.455 -5.152 5.438 1.00 0.00 C ATOM 1412 CZ PHE B 107 5.366 -5.525 4.675 1.00 0.00 C ATOM 0 H PHE B 107 11.485 -6.169 2.066 1.00 0.00 H new ATOM 0 HA PHE B 107 8.951 -7.296 1.561 1.00 0.00 H new ATOM 0 HB2 PHE B 107 9.904 -6.476 3.741 1.00 0.00 H new ATOM 0 HB3 PHE B 107 9.787 -4.831 3.148 1.00 0.00 H new ATOM 0 HD1 PHE B 107 6.967 -6.471 1.876 1.00 0.00 H new ATOM 0 HD2 PHE B 107 8.571 -4.960 5.514 1.00 0.00 H new ATOM 0 HE1 PHE B 107 4.702 -6.295 2.798 1.00 0.00 H new ATOM 0 HE2 PHE B 107 6.312 -4.782 6.443 1.00 0.00 H new ATOM 0 HZ PHE B 107 4.369 -5.444 5.082 1.00 0.00 H new ATOM 1422 N CYS B 108 9.226 -4.134 0.665 1.00 0.00 N ATOM 1423 CA CYS B 108 8.645 -3.122 -0.198 1.00 0.00 C ATOM 1424 C CYS B 108 9.322 -3.079 -1.555 1.00 0.00 C ATOM 1425 O CYS B 108 9.777 -2.028 -1.987 1.00 0.00 O ATOM 1426 CB CYS B 108 8.768 -1.762 0.464 1.00 0.00 C ATOM 1427 SG CYS B 108 8.029 -1.669 2.117 1.00 0.00 S ATOM 0 H CYS B 108 10.004 -3.806 1.238 1.00 0.00 H new ATOM 0 HA CYS B 108 7.597 -3.379 -0.352 1.00 0.00 H new ATOM 0 HB2 CYS B 108 9.823 -1.499 0.535 1.00 0.00 H new ATOM 0 HB3 CYS B 108 8.296 -1.016 -0.175 1.00 0.00 H new ATOM 1432 N GLU B 109 9.387 -4.211 -2.227 1.00 0.00 N ATOM 1433 CA GLU B 109 10.016 -4.271 -3.536 1.00 0.00 C ATOM 1434 C GLU B 109 9.113 -3.630 -4.581 1.00 0.00 C ATOM 1435 O GLU B 109 9.460 -2.616 -5.189 1.00 0.00 O ATOM 1436 CB GLU B 109 10.302 -5.723 -3.908 1.00 0.00 C ATOM 1437 CG GLU B 109 11.528 -5.887 -4.786 1.00 0.00 C ATOM 1438 CD GLU B 109 11.858 -7.335 -5.060 1.00 0.00 C ATOM 1439 OE1 GLU B 109 11.978 -8.111 -4.090 1.00 0.00 O ATOM 1440 OE2 GLU B 109 12.009 -7.694 -6.244 1.00 0.00 O ATOM 0 H GLU B 109 9.014 -5.100 -1.892 1.00 0.00 H new ATOM 0 HA GLU B 109 10.957 -3.722 -3.503 1.00 0.00 H new ATOM 0 HB2 GLU B 109 10.436 -6.305 -2.996 1.00 0.00 H new ATOM 0 HB3 GLU B 109 9.436 -6.136 -4.425 1.00 0.00 H new ATOM 0 HG2 GLU B 109 11.364 -5.370 -5.732 1.00 0.00 H new ATOM 0 HG3 GLU B 109 12.381 -5.409 -4.305 1.00 0.00 H new ATOM 1447 N ASP B 110 7.941 -4.218 -4.772 1.00 0.00 N ATOM 1448 CA ASP B 110 6.971 -3.699 -5.725 1.00 0.00 C ATOM 1449 C ASP B 110 6.123 -2.633 -5.040 1.00 0.00 C ATOM 1450 O ASP B 110 5.334 -1.934 -5.674 1.00 0.00 O ATOM 1451 CB ASP B 110 6.077 -4.833 -6.241 1.00 0.00 C ATOM 1452 CG ASP B 110 5.315 -4.469 -7.497 1.00 0.00 C ATOM 1453 OD1 ASP B 110 5.599 -3.410 -8.088 1.00 0.00 O ATOM 1454 OD2 ASP B 110 4.441 -5.260 -7.907 1.00 0.00 O ATOM 0 H ASP B 110 7.638 -5.057 -4.278 1.00 0.00 H new ATOM 0 HA ASP B 110 7.494 -3.260 -6.574 1.00 0.00 H new ATOM 0 HB2 ASP B 110 6.693 -5.710 -6.439 1.00 0.00 H new ATOM 0 HB3 ASP B 110 5.368 -5.111 -5.461 1.00 0.00 H new ATOM 1459 N HIS B 111 6.296 -2.525 -3.729 1.00 0.00 N ATOM 1460 CA HIS B 111 5.549 -1.559 -2.926 1.00 0.00 C ATOM 1461 C HIS B 111 6.454 -0.407 -2.494 1.00 0.00 C ATOM 1462 O HIS B 111 7.057 -0.458 -1.425 1.00 0.00 O ATOM 1463 CB HIS B 111 4.972 -2.229 -1.668 1.00 0.00 C ATOM 1464 CG HIS B 111 4.608 -3.676 -1.833 1.00 0.00 C ATOM 1465 ND1 HIS B 111 3.716 -4.130 -2.780 1.00 0.00 N ATOM 1466 CD2 HIS B 111 5.018 -4.775 -1.151 1.00 0.00 C ATOM 1467 CE1 HIS B 111 3.590 -5.440 -2.674 1.00 0.00 C ATOM 1468 NE2 HIS B 111 4.369 -5.859 -1.691 1.00 0.00 N ATOM 0 H HIS B 111 6.950 -3.097 -3.195 1.00 0.00 H new ATOM 0 HA HIS B 111 4.735 -1.176 -3.542 1.00 0.00 H new ATOM 0 HB2 HIS B 111 5.700 -2.142 -0.862 1.00 0.00 H new ATOM 0 HB3 HIS B 111 4.084 -1.679 -1.356 1.00 0.00 H new ATOM 0 HD2 HIS B 111 5.724 -4.794 -0.334 1.00 0.00 H new ATOM 0 HE1 HIS B 111 2.957 -6.064 -3.287 1.00 0.00 H new ATOM 0 HE2 HIS B 111 4.471 -6.826 -1.384 1.00 0.00 H new ATOM 1476 N CYS B 112 6.562 0.630 -3.308 1.00 0.00 N ATOM 1477 CA CYS B 112 7.415 1.761 -2.954 1.00 0.00 C ATOM 1478 C CYS B 112 6.610 3.039 -2.727 1.00 0.00 C ATOM 1479 O CYS B 112 7.062 4.135 -3.065 1.00 0.00 O ATOM 1480 CB CYS B 112 8.491 1.991 -4.019 1.00 0.00 C ATOM 1481 SG CYS B 112 9.749 0.667 -4.104 1.00 0.00 S ATOM 0 H CYS B 112 6.081 0.716 -4.203 1.00 0.00 H new ATOM 0 HA CYS B 112 7.902 1.508 -2.012 1.00 0.00 H new ATOM 0 HB2 CYS B 112 8.010 2.084 -4.993 1.00 0.00 H new ATOM 0 HB3 CYS B 112 8.990 2.939 -3.818 1.00 0.00 H new ATOM 1486 N HIS B 113 5.433 2.902 -2.125 1.00 0.00 N ATOM 1487 CA HIS B 113 4.593 4.047 -1.821 1.00 0.00 C ATOM 1488 C HIS B 113 3.863 3.829 -0.497 1.00 0.00 C ATOM 1489 O HIS B 113 4.381 3.146 0.390 1.00 0.00 O ATOM 1490 CB HIS B 113 3.601 4.350 -2.958 1.00 0.00 C ATOM 1491 CG HIS B 113 2.724 3.209 -3.381 1.00 0.00 C ATOM 1492 ND1 HIS B 113 2.007 2.433 -2.499 1.00 0.00 N ATOM 1493 CD2 HIS B 113 2.419 2.744 -4.613 1.00 0.00 C ATOM 1494 CE1 HIS B 113 1.304 1.540 -3.166 1.00 0.00 C ATOM 1495 NE2 HIS B 113 1.535 1.708 -4.450 1.00 0.00 N ATOM 0 H HIS B 113 5.041 2.005 -1.839 1.00 0.00 H new ATOM 0 HA HIS B 113 5.239 4.919 -1.724 1.00 0.00 H new ATOM 0 HB2 HIS B 113 2.963 5.178 -2.647 1.00 0.00 H new ATOM 0 HB3 HIS B 113 4.165 4.691 -3.826 1.00 0.00 H new ATOM 0 HD1 HIS B 113 2.018 2.534 -1.484 1.00 0.00 H new ATOM 0 HD2 HIS B 113 2.800 3.119 -5.551 1.00 0.00 H new ATOM 0 HE1 HIS B 113 0.650 0.798 -2.733 1.00 0.00 H new ATOM 1503 N GLY B 114 2.668 4.404 -0.371 1.00 0.00 N ATOM 1504 CA GLY B 114 1.884 4.252 0.842 1.00 0.00 C ATOM 1505 C GLY B 114 2.609 4.736 2.078 1.00 0.00 C ATOM 1506 O GLY B 114 2.761 5.941 2.287 1.00 0.00 O ATOM 0 H GLY B 114 2.228 4.975 -1.093 1.00 0.00 H new ATOM 0 HA2 GLY B 114 0.950 4.804 0.736 1.00 0.00 H new ATOM 0 HA3 GLY B 114 1.621 3.202 0.969 1.00 0.00 H new ATOM 1510 N VAL B 115 3.062 3.796 2.896 1.00 0.00 N ATOM 1511 CA VAL B 115 3.786 4.122 4.117 1.00 0.00 C ATOM 1512 C VAL B 115 5.272 3.822 3.969 1.00 0.00 C ATOM 1513 O VAL B 115 6.098 4.406 4.661 1.00 0.00 O ATOM 1514 CB VAL B 115 3.239 3.351 5.336 1.00 0.00 C ATOM 1515 CG1 VAL B 115 1.913 3.938 5.794 1.00 0.00 C ATOM 1516 CG2 VAL B 115 3.090 1.873 5.010 1.00 0.00 C ATOM 0 H VAL B 115 2.940 2.796 2.735 1.00 0.00 H new ATOM 0 HA VAL B 115 3.642 5.189 4.285 1.00 0.00 H new ATOM 0 HB VAL B 115 3.954 3.451 6.153 1.00 0.00 H new ATOM 0 HG11 VAL B 115 1.546 3.379 6.655 1.00 0.00 H new ATOM 0 HG12 VAL B 115 2.054 4.982 6.073 1.00 0.00 H new ATOM 0 HG13 VAL B 115 1.187 3.874 4.983 1.00 0.00 H new ATOM 0 HG21 VAL B 115 2.703 1.345 5.882 1.00 0.00 H new ATOM 0 HG22 VAL B 115 2.398 1.752 4.176 1.00 0.00 H new ATOM 0 HG23 VAL B 115 4.062 1.461 4.738 1.00 0.00 H new ATOM 1526 N CYS B 116 5.612 2.916 3.055 1.00 0.00 N ATOM 1527 CA CYS B 116 7.009 2.553 2.827 1.00 0.00 C ATOM 1528 C CYS B 116 7.725 3.626 2.038 1.00 0.00 C ATOM 1529 O CYS B 116 8.906 3.509 1.731 1.00 0.00 O ATOM 1530 CB CYS B 116 7.111 1.224 2.109 1.00 0.00 C ATOM 1531 SG CYS B 116 8.505 0.207 2.698 1.00 0.00 S ATOM 0 H CYS B 116 4.944 2.422 2.463 1.00 0.00 H new ATOM 0 HA CYS B 116 7.490 2.460 3.801 1.00 0.00 H new ATOM 0 HB2 CYS B 116 6.181 0.671 2.244 1.00 0.00 H new ATOM 0 HB3 CYS B 116 7.224 1.402 1.040 1.00 0.00 H new ATOM 1536 N LYS B 117 6.995 4.677 1.742 1.00 0.00 N ATOM 1537 CA LYS B 117 7.542 5.823 1.021 1.00 0.00 C ATOM 1538 C LYS B 117 7.866 6.933 2.016 1.00 0.00 C ATOM 1539 O LYS B 117 8.382 7.989 1.652 1.00 0.00 O ATOM 1540 CB LYS B 117 6.559 6.329 -0.050 1.00 0.00 C ATOM 1541 CG LYS B 117 5.239 6.870 0.498 1.00 0.00 C ATOM 1542 CD LYS B 117 5.313 8.370 0.770 1.00 0.00 C ATOM 1543 CE LYS B 117 4.099 8.875 1.531 1.00 0.00 C ATOM 1544 NZ LYS B 117 4.168 10.348 1.765 1.00 0.00 N ATOM 0 H LYS B 117 6.010 4.770 1.989 1.00 0.00 H new ATOM 0 HA LYS B 117 8.453 5.514 0.509 1.00 0.00 H new ATOM 0 HB2 LYS B 117 7.046 7.115 -0.628 1.00 0.00 H new ATOM 0 HB3 LYS B 117 6.343 5.513 -0.740 1.00 0.00 H new ATOM 0 HG2 LYS B 117 4.439 6.668 -0.215 1.00 0.00 H new ATOM 0 HG3 LYS B 117 4.985 6.345 1.419 1.00 0.00 H new ATOM 0 HD2 LYS B 117 6.215 8.590 1.341 1.00 0.00 H new ATOM 0 HD3 LYS B 117 5.396 8.906 -0.176 1.00 0.00 H new ATOM 0 HE2 LYS B 117 3.194 8.637 0.972 1.00 0.00 H new ATOM 0 HE3 LYS B 117 4.028 8.357 2.488 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 3.323 10.657 2.287 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 5.019 10.572 2.320 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 4.211 10.843 0.851 1.00 0.00 H new ATOM 1558 N ASP B 118 7.537 6.676 3.277 1.00 0.00 N ATOM 1559 CA ASP B 118 7.762 7.627 4.353 1.00 0.00 C ATOM 1560 C ASP B 118 8.990 7.224 5.165 1.00 0.00 C ATOM 1561 O ASP B 118 8.967 6.200 5.859 1.00 0.00 O ATOM 1562 CB ASP B 118 6.516 7.687 5.245 1.00 0.00 C ATOM 1563 CG ASP B 118 6.627 8.703 6.357 1.00 0.00 C ATOM 1564 OD1 ASP B 118 6.867 9.886 6.059 1.00 0.00 O ATOM 1565 OD2 ASP B 118 6.449 8.319 7.530 1.00 0.00 O ATOM 0 H ASP B 118 7.107 5.802 3.579 1.00 0.00 H new ATOM 0 HA ASP B 118 7.945 8.616 3.933 1.00 0.00 H new ATOM 0 HB2 ASP B 118 5.648 7.925 4.630 1.00 0.00 H new ATOM 0 HB3 ASP B 118 6.340 6.702 5.678 1.00 0.00 H new ATOM 1570 N LEU B 119 10.058 8.026 5.043 1.00 0.00 N ATOM 1571 CA LEU B 119 11.341 7.792 5.729 1.00 0.00 C ATOM 1572 C LEU B 119 12.139 6.695 5.022 1.00 0.00 C ATOM 1573 O LEU B 119 13.308 6.885 4.673 1.00 0.00 O ATOM 1574 CB LEU B 119 11.138 7.440 7.210 1.00 0.00 C ATOM 1575 CG LEU B 119 12.421 7.335 8.035 1.00 0.00 C ATOM 1576 CD1 LEU B 119 13.124 8.681 8.098 1.00 0.00 C ATOM 1577 CD2 LEU B 119 12.118 6.829 9.434 1.00 0.00 C ATOM 0 H LEU B 119 10.057 8.863 4.461 1.00 0.00 H new ATOM 0 HA LEU B 119 11.909 8.721 5.686 1.00 0.00 H new ATOM 0 HB2 LEU B 119 10.495 8.195 7.662 1.00 0.00 H new ATOM 0 HB3 LEU B 119 10.606 6.491 7.272 1.00 0.00 H new ATOM 0 HG LEU B 119 13.084 6.620 7.548 1.00 0.00 H new ATOM 0 HD11 LEU B 119 14.035 8.588 8.689 1.00 0.00 H new ATOM 0 HD12 LEU B 119 13.377 9.007 7.089 1.00 0.00 H new ATOM 0 HD13 LEU B 119 12.464 9.415 8.561 1.00 0.00 H new ATOM 0 HD21 LEU B 119 13.044 6.761 10.005 1.00 0.00 H new ATOM 0 HD22 LEU B 119 11.435 7.519 9.930 1.00 0.00 H new ATOM 0 HD23 LEU B 119 11.657 5.843 9.372 1.00 0.00 H new ATOM 1589 N HIS B 120 11.495 5.562 4.794 1.00 0.00 N ATOM 1590 CA HIS B 120 12.118 4.446 4.105 1.00 0.00 C ATOM 1591 C HIS B 120 11.754 4.535 2.631 1.00 0.00 C ATOM 1592 O HIS B 120 10.885 5.328 2.269 1.00 0.00 O ATOM 1593 CB HIS B 120 11.638 3.112 4.689 1.00 0.00 C ATOM 1594 CG HIS B 120 11.778 3.020 6.178 1.00 0.00 C ATOM 1595 ND1 HIS B 120 10.841 2.890 7.149 1.00 0.00 N flip ATOM 1596 CD2 HIS B 120 12.992 3.077 6.830 1.00 0.00 C flip ATOM 1597 CE1 HIS B 120 11.502 2.874 8.352 1.00 0.00 C flip ATOM 1598 NE2 HIS B 120 12.798 2.988 8.133 1.00 0.00 N flip ATOM 0 H HIS B 120 10.531 5.391 5.080 1.00 0.00 H new ATOM 0 HA HIS B 120 13.200 4.493 4.230 1.00 0.00 H new ATOM 0 HB2 HIS B 120 10.592 2.964 4.422 1.00 0.00 H new ATOM 0 HB3 HIS B 120 12.202 2.300 4.229 1.00 0.00 H new ATOM 0 HD1 HIS B 120 9.833 2.818 7.011 1.00 0.00 H new ATOM 0 HD2 HIS B 120 13.953 3.179 6.349 1.00 0.00 H new ATOM 0 HE1 HIS B 120 11.036 2.783 9.322 1.00 0.00 H new ATOM 1606 N LEU B 121 12.396 3.741 1.774 1.00 0.00 N ATOM 1607 CA LEU B 121 12.078 3.793 0.349 1.00 0.00 C ATOM 1608 C LEU B 121 12.687 2.628 -0.430 1.00 0.00 C ATOM 1609 O LEU B 121 13.529 2.845 -1.304 1.00 0.00 O ATOM 1610 CB LEU B 121 12.560 5.120 -0.243 1.00 0.00 C ATOM 1611 CG LEU B 121 11.780 5.606 -1.461 1.00 0.00 C ATOM 1612 CD1 LEU B 121 10.296 5.695 -1.136 1.00 0.00 C ATOM 1613 CD2 LEU B 121 12.308 6.957 -1.915 1.00 0.00 C ATOM 0 H LEU B 121 13.120 3.071 2.033 1.00 0.00 H new ATOM 0 HA LEU B 121 10.995 3.713 0.257 1.00 0.00 H new ATOM 0 HB2 LEU B 121 12.509 5.886 0.531 1.00 0.00 H new ATOM 0 HB3 LEU B 121 13.609 5.017 -0.520 1.00 0.00 H new ATOM 0 HG LEU B 121 11.913 4.890 -2.272 1.00 0.00 H new ATOM 0 HD11 LEU B 121 9.752 6.043 -2.014 1.00 0.00 H new ATOM 0 HD12 LEU B 121 9.927 4.711 -0.847 1.00 0.00 H new ATOM 0 HD13 LEU B 121 10.145 6.395 -0.314 1.00 0.00 H new ATOM 0 HD21 LEU B 121 11.744 7.294 -2.785 1.00 0.00 H new ATOM 0 HD22 LEU B 121 12.197 7.681 -1.108 1.00 0.00 H new ATOM 0 HD23 LEU B 121 13.362 6.866 -2.179 1.00 0.00 H new ATOM 1625 N CYS B 122 12.228 1.409 -0.117 1.00 0.00 N ATOM 1626 CA CYS B 122 12.684 0.170 -0.777 1.00 0.00 C ATOM 1627 C CYS B 122 14.186 0.164 -1.075 1.00 0.00 C ATOM 1628 O CYS B 122 14.980 0.413 -0.145 1.00 0.00 O ATOM 1629 CB CYS B 122 11.879 -0.113 -2.063 1.00 0.00 C ATOM 1630 SG CYS B 122 11.293 1.362 -2.975 1.00 0.00 S ATOM 1631 OXT CYS B 122 14.558 -0.110 -2.234 1.00 0.00 O ATOM 0 H CYS B 122 11.525 1.250 0.605 1.00 0.00 H new ATOM 0 HA CYS B 122 12.499 -0.632 -0.063 1.00 0.00 H new ATOM 0 HB2 CYS B 122 12.498 -0.709 -2.733 1.00 0.00 H new ATOM 0 HB3 CYS B 122 11.014 -0.723 -1.801 1.00 0.00 H new