USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=7 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+ 150:sc= 1.29 (180deg=0.283) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -2.22 K(o=-2.2,f=-0.7) USER MOD Single : A 52 HIS : no HD1:sc= -6.32! C(o=-6.3!,f=-5.7!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.14) USER MOD Single : B 98 LYS NZ :NH3+ -159:sc= -0.185 (180deg=-0.666) USER MOD Single : B 103 CYS SG : rot 180:sc= 0 USER MOD Single : B 105 SER OG : rot 180:sc= 0 USER MOD Single : B 111 HIS : no HD1:sc= -1.6! K(o=-1.6!,f=0.32) USER MOD Single : B 113 HIS : no HD1:sc= -5.87! C(o=-5.9!,f=-6!) USER MOD Single : B 117 LYS NZ :NH3+ -168:sc= -0.012 (180deg=-0.137) USER MOD Single : B 120 HIS : no HD1:sc= -0.0179 X(o=-0.018,f=-0.036) USER MOD ----------------------------------------------------------------- ATOM 185 N CYS A 13 -18.520 -5.060 -4.001 1.00 0.00 N ATOM 186 CA CYS A 13 -17.376 -4.131 -3.912 1.00 0.00 C ATOM 187 C CYS A 13 -16.322 -4.327 -5.009 1.00 0.00 C ATOM 188 O CYS A 13 -15.251 -3.733 -4.937 1.00 0.00 O ATOM 189 CB CYS A 13 -16.695 -4.198 -2.527 1.00 0.00 C ATOM 190 SG CYS A 13 -15.738 -5.716 -2.177 1.00 0.00 S ATOM 0 HA CYS A 13 -17.812 -3.143 -4.061 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -16.028 -3.341 -2.430 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -17.463 -4.092 -1.761 1.00 0.00 H new ATOM 195 N ALA A 14 -16.608 -5.148 -6.017 1.00 0.00 N ATOM 196 CA ALA A 14 -15.650 -5.398 -7.086 1.00 0.00 C ATOM 197 C ALA A 14 -15.473 -4.189 -7.991 1.00 0.00 C ATOM 198 O ALA A 14 -14.377 -3.930 -8.483 1.00 0.00 O ATOM 199 CB ALA A 14 -16.070 -6.608 -7.906 1.00 0.00 C ATOM 0 H ALA A 14 -17.492 -5.648 -6.114 1.00 0.00 H new ATOM 0 HA ALA A 14 -14.688 -5.599 -6.614 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.343 -6.780 -8.700 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -16.118 -7.486 -7.261 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -17.051 -6.427 -8.345 1.00 0.00 H new ATOM 205 N ALA A 15 -16.542 -3.438 -8.212 1.00 0.00 N ATOM 206 CA ALA A 15 -16.458 -2.257 -9.064 1.00 0.00 C ATOM 207 C ALA A 15 -15.665 -1.146 -8.381 1.00 0.00 C ATOM 208 O ALA A 15 -15.380 -0.112 -8.986 1.00 0.00 O ATOM 209 CB ALA A 15 -17.846 -1.766 -9.447 1.00 0.00 C ATOM 0 H ALA A 15 -17.466 -3.620 -7.820 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.931 -2.539 -9.976 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -17.758 -0.885 -10.082 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -18.374 -2.552 -9.988 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -18.403 -1.509 -8.546 1.00 0.00 H new ATOM 215 N ALA A 16 -15.306 -1.369 -7.121 1.00 0.00 N ATOM 216 CA ALA A 16 -14.542 -0.393 -6.364 1.00 0.00 C ATOM 217 C ALA A 16 -13.150 -0.918 -6.018 1.00 0.00 C ATOM 218 O ALA A 16 -12.188 -0.153 -5.979 1.00 0.00 O ATOM 219 CB ALA A 16 -15.292 -0.004 -5.100 1.00 0.00 C ATOM 0 H ALA A 16 -15.534 -2.219 -6.605 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.416 0.491 -6.989 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.709 0.728 -4.542 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.256 0.428 -5.368 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.450 -0.889 -4.483 1.00 0.00 H new ATOM 225 N ILE A 17 -13.039 -2.221 -5.754 1.00 0.00 N ATOM 226 CA ILE A 17 -11.751 -2.804 -5.400 1.00 0.00 C ATOM 227 C ILE A 17 -11.033 -3.361 -6.621 1.00 0.00 C ATOM 228 O ILE A 17 -9.868 -3.052 -6.856 1.00 0.00 O ATOM 229 CB ILE A 17 -11.888 -3.898 -4.310 1.00 0.00 C ATOM 230 CG1 ILE A 17 -10.513 -4.204 -3.720 1.00 0.00 C ATOM 231 CG2 ILE A 17 -12.568 -5.166 -4.803 1.00 0.00 C ATOM 232 CD1 ILE A 17 -10.071 -3.196 -2.681 1.00 0.00 C ATOM 0 H ILE A 17 -13.816 -2.882 -5.779 1.00 0.00 H new ATOM 0 HA ILE A 17 -11.148 -1.995 -4.988 1.00 0.00 H new ATOM 0 HB ILE A 17 -12.543 -3.501 -3.535 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -10.531 -5.196 -3.269 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -9.778 -4.233 -4.524 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -12.629 -5.887 -3.988 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -13.572 -4.928 -5.153 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -11.990 -5.594 -5.622 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -9.087 -3.472 -2.302 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -10.021 -2.205 -3.133 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.786 -3.184 -1.858 1.00 0.00 H new ATOM 244 N ALA A 18 -11.734 -4.176 -7.392 1.00 0.00 N ATOM 245 CA ALA A 18 -11.161 -4.775 -8.593 1.00 0.00 C ATOM 246 C ALA A 18 -10.811 -3.690 -9.604 1.00 0.00 C ATOM 247 O ALA A 18 -9.836 -3.807 -10.346 1.00 0.00 O ATOM 248 CB ALA A 18 -12.108 -5.801 -9.197 1.00 0.00 C ATOM 0 H ALA A 18 -12.702 -4.440 -7.210 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.245 -5.297 -8.316 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -11.656 -6.232 -10.091 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -12.300 -6.591 -8.471 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.048 -5.317 -9.463 1.00 0.00 H new ATOM 254 N GLY A 19 -11.590 -2.611 -9.597 1.00 0.00 N ATOM 255 CA GLY A 19 -11.323 -1.497 -10.487 1.00 0.00 C ATOM 256 C GLY A 19 -10.115 -0.714 -10.020 1.00 0.00 C ATOM 257 O GLY A 19 -9.435 -0.060 -10.814 1.00 0.00 O ATOM 0 H GLY A 19 -12.401 -2.490 -8.990 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -11.154 -1.866 -11.499 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.193 -0.842 -10.528 1.00 0.00 H new ATOM 261 N ALA A 20 -9.838 -0.806 -8.721 1.00 0.00 N ATOM 262 CA ALA A 20 -8.700 -0.134 -8.121 1.00 0.00 C ATOM 263 C ALA A 20 -7.413 -0.875 -8.450 1.00 0.00 C ATOM 264 O ALA A 20 -6.332 -0.284 -8.498 1.00 0.00 O ATOM 265 CB ALA A 20 -8.879 -0.029 -6.617 1.00 0.00 C ATOM 0 H ALA A 20 -10.397 -1.348 -8.062 1.00 0.00 H new ATOM 0 HA ALA A 20 -8.636 0.873 -8.534 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.017 0.477 -6.182 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.783 0.539 -6.397 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.966 -1.028 -6.190 1.00 0.00 H new ATOM 271 N VAL A 21 -7.547 -2.175 -8.690 1.00 0.00 N ATOM 272 CA VAL A 21 -6.430 -3.018 -9.039 1.00 0.00 C ATOM 273 C VAL A 21 -5.843 -2.559 -10.368 1.00 0.00 C ATOM 274 O VAL A 21 -4.639 -2.337 -10.489 1.00 0.00 O ATOM 275 CB VAL A 21 -6.889 -4.484 -9.150 1.00 0.00 C ATOM 276 CG1 VAL A 21 -5.729 -5.380 -9.499 1.00 0.00 C ATOM 277 CG2 VAL A 21 -7.551 -4.943 -7.862 1.00 0.00 C ATOM 0 H VAL A 21 -8.440 -2.667 -8.646 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.669 -2.945 -8.262 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.625 -4.548 -9.951 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.075 -6.411 -9.573 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.305 -5.071 -10.454 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.967 -5.307 -8.723 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.867 -5.981 -7.965 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.842 -4.859 -7.039 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.420 -4.318 -7.657 1.00 0.00 H new ATOM 287 N ALA A 22 -6.720 -2.396 -11.354 1.00 0.00 N ATOM 288 CA ALA A 22 -6.319 -1.941 -12.677 1.00 0.00 C ATOM 289 C ALA A 22 -5.838 -0.495 -12.633 1.00 0.00 C ATOM 290 O ALA A 22 -4.969 -0.094 -13.407 1.00 0.00 O ATOM 291 CB ALA A 22 -7.477 -2.078 -13.652 1.00 0.00 C ATOM 0 H ALA A 22 -7.720 -2.574 -11.258 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.493 -2.566 -13.016 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.165 -1.734 -14.638 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.781 -3.123 -13.711 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.317 -1.475 -13.307 1.00 0.00 H new ATOM 297 N ALA A 23 -6.416 0.285 -11.724 1.00 0.00 N ATOM 298 CA ALA A 23 -6.058 1.691 -11.576 1.00 0.00 C ATOM 299 C ALA A 23 -4.645 1.860 -11.025 1.00 0.00 C ATOM 300 O ALA A 23 -3.896 2.723 -11.478 1.00 0.00 O ATOM 301 CB ALA A 23 -7.056 2.406 -10.679 1.00 0.00 C ATOM 0 H ALA A 23 -7.137 -0.035 -11.077 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.086 2.139 -12.569 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.772 3.454 -10.581 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.052 2.340 -11.117 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.061 1.938 -9.695 1.00 0.00 H new ATOM 307 N CYS A 24 -4.284 1.042 -10.044 1.00 0.00 N ATOM 308 CA CYS A 24 -2.959 1.123 -9.440 1.00 0.00 C ATOM 309 C CYS A 24 -1.945 0.322 -10.252 1.00 0.00 C ATOM 310 O CYS A 24 -0.744 0.584 -10.197 1.00 0.00 O ATOM 311 CB CYS A 24 -3.004 0.638 -7.992 1.00 0.00 C ATOM 312 SG CYS A 24 -1.563 1.146 -6.995 1.00 0.00 S ATOM 0 H CYS A 24 -4.886 0.318 -9.651 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.641 2.166 -9.442 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.911 1.017 -7.521 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.072 -0.450 -7.986 1.00 0.00 H new ATOM 317 N GLY A 25 -2.431 -0.647 -11.017 1.00 0.00 N ATOM 318 CA GLY A 25 -1.544 -1.453 -11.834 1.00 0.00 C ATOM 319 C GLY A 25 -1.444 -2.881 -11.351 1.00 0.00 C ATOM 320 O GLY A 25 -1.382 -3.813 -12.152 1.00 0.00 O ATOM 0 H GLY A 25 -3.419 -0.889 -11.087 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.899 -1.446 -12.864 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.551 -1.004 -11.836 1.00 0.00 H new ATOM 324 N GLY A 26 -1.429 -3.056 -10.039 1.00 0.00 N ATOM 325 CA GLY A 26 -1.338 -4.385 -9.475 1.00 0.00 C ATOM 326 C GLY A 26 -2.275 -4.575 -8.305 1.00 0.00 C ATOM 327 O GLY A 26 -2.828 -3.602 -7.777 1.00 0.00 O ATOM 0 H GLY A 26 -1.478 -2.301 -9.355 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.568 -5.121 -10.245 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.314 -4.571 -9.152 1.00 0.00 H new ATOM 331 N ILE A 27 -2.455 -5.820 -7.892 1.00 0.00 N ATOM 332 CA ILE A 27 -3.329 -6.127 -6.773 1.00 0.00 C ATOM 333 C ILE A 27 -2.535 -6.255 -5.476 1.00 0.00 C ATOM 334 O ILE A 27 -1.501 -6.922 -5.427 1.00 0.00 O ATOM 335 CB ILE A 27 -4.141 -7.425 -7.015 1.00 0.00 C ATOM 336 CG1 ILE A 27 -4.885 -7.837 -5.743 1.00 0.00 C ATOM 337 CG2 ILE A 27 -3.245 -8.555 -7.496 1.00 0.00 C ATOM 338 CD1 ILE A 27 -6.115 -7.005 -5.459 1.00 0.00 C ATOM 0 H ILE A 27 -2.007 -6.633 -8.315 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.029 -5.296 -6.683 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.872 -7.221 -7.797 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.177 -8.884 -5.827 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.204 -7.763 -4.895 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.844 -9.451 -7.657 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.766 -8.266 -8.432 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.482 -8.759 -6.745 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.588 -7.357 -4.542 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.828 -5.960 -5.342 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -6.816 -7.098 -6.288 1.00 0.00 H new ATOM 350 N ASP A 28 -3.045 -5.621 -4.431 1.00 0.00 N ATOM 351 CA ASP A 28 -2.426 -5.656 -3.117 1.00 0.00 C ATOM 352 C ASP A 28 -3.458 -5.183 -2.099 1.00 0.00 C ATOM 353 O ASP A 28 -4.463 -5.859 -1.885 1.00 0.00 O ATOM 354 CB ASP A 28 -1.171 -4.777 -3.094 1.00 0.00 C ATOM 355 CG ASP A 28 -0.179 -5.209 -2.042 1.00 0.00 C ATOM 356 OD1 ASP A 28 0.251 -6.378 -2.074 1.00 0.00 O ATOM 357 OD2 ASP A 28 0.177 -4.379 -1.190 1.00 0.00 O ATOM 0 H ASP A 28 -3.901 -5.067 -4.471 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.109 -6.669 -2.870 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.693 -4.807 -4.073 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.460 -3.742 -2.912 1.00 0.00 H new ATOM 362 N LEU A 29 -3.243 -4.008 -1.512 1.00 0.00 N ATOM 363 CA LEU A 29 -4.195 -3.445 -0.552 1.00 0.00 C ATOM 364 C LEU A 29 -3.891 -1.975 -0.231 1.00 0.00 C ATOM 365 O LEU A 29 -4.778 -1.139 -0.345 1.00 0.00 O ATOM 366 CB LEU A 29 -4.253 -4.268 0.740 1.00 0.00 C ATOM 367 CG LEU A 29 -5.138 -3.682 1.847 1.00 0.00 C ATOM 368 CD1 LEU A 29 -6.557 -3.438 1.343 1.00 0.00 C ATOM 369 CD2 LEU A 29 -5.154 -4.608 3.054 1.00 0.00 C ATOM 0 H LEU A 29 -2.422 -3.427 -1.682 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.173 -3.489 -1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.614 -5.268 0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.240 -4.379 1.127 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.718 -2.722 2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.163 -3.022 2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.531 -2.737 0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.992 -4.381 1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.786 -4.180 3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.548 -5.581 2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.140 -4.727 3.435 1.00 0.00 H new ATOM 381 N PRO A 30 -2.651 -1.629 0.197 1.00 0.00 N ATOM 382 CA PRO A 30 -2.289 -0.243 0.545 1.00 0.00 C ATOM 383 C PRO A 30 -2.741 0.792 -0.485 1.00 0.00 C ATOM 384 O PRO A 30 -3.401 1.772 -0.139 1.00 0.00 O ATOM 385 CB PRO A 30 -0.768 -0.286 0.619 1.00 0.00 C ATOM 386 CG PRO A 30 -0.443 -1.683 1.008 1.00 0.00 C ATOM 387 CD PRO A 30 -1.513 -2.550 0.404 1.00 0.00 C ATOM 0 HA PRO A 30 -2.779 0.069 1.468 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.318 -0.028 -0.340 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.388 0.427 1.351 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.543 -1.969 0.641 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.423 -1.790 2.093 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.183 -2.993 -0.536 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.781 -3.372 1.068 1.00 0.00 H new ATOM 395 N CYS A 31 -2.383 0.582 -1.745 1.00 0.00 N ATOM 396 CA CYS A 31 -2.760 1.517 -2.795 1.00 0.00 C ATOM 397 C CYS A 31 -4.192 1.278 -3.272 1.00 0.00 C ATOM 398 O CYS A 31 -4.894 2.218 -3.645 1.00 0.00 O ATOM 399 CB CYS A 31 -1.784 1.432 -3.976 1.00 0.00 C ATOM 400 SG CYS A 31 -2.363 2.261 -5.495 1.00 0.00 S ATOM 0 H CYS A 31 -1.837 -0.219 -2.062 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.711 2.520 -2.372 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -0.832 1.871 -3.677 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.594 0.382 -4.200 1.00 0.00 H new ATOM 405 N VAL A 32 -4.623 0.020 -3.257 1.00 0.00 N ATOM 406 CA VAL A 32 -5.963 -0.343 -3.686 1.00 0.00 C ATOM 407 C VAL A 32 -7.018 0.261 -2.753 1.00 0.00 C ATOM 408 O VAL A 32 -8.141 0.545 -3.165 1.00 0.00 O ATOM 409 CB VAL A 32 -6.115 -1.879 -3.720 1.00 0.00 C ATOM 410 CG1 VAL A 32 -7.290 -2.277 -4.574 1.00 0.00 C ATOM 411 CG2 VAL A 32 -4.847 -2.541 -4.235 1.00 0.00 C ATOM 0 H VAL A 32 -4.055 -0.769 -2.949 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.117 0.056 -4.689 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.291 -2.220 -2.700 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.380 -3.363 -4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.201 -1.841 -4.165 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.140 -1.915 -5.591 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.981 -3.623 -4.249 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.637 -2.188 -5.245 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.013 -2.287 -3.581 1.00 0.00 H new ATOM 421 N LEU A 33 -6.631 0.456 -1.495 1.00 0.00 N ATOM 422 CA LEU A 33 -7.508 1.028 -0.474 1.00 0.00 C ATOM 423 C LEU A 33 -7.923 2.452 -0.855 1.00 0.00 C ATOM 424 O LEU A 33 -9.066 2.858 -0.635 1.00 0.00 O ATOM 425 CB LEU A 33 -6.769 1.025 0.877 1.00 0.00 C ATOM 426 CG LEU A 33 -7.634 1.123 2.144 1.00 0.00 C ATOM 427 CD1 LEU A 33 -8.175 2.528 2.344 1.00 0.00 C ATOM 428 CD2 LEU A 33 -8.774 0.120 2.094 1.00 0.00 C ATOM 0 H LEU A 33 -5.699 0.222 -1.153 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.414 0.427 -0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.179 0.110 0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.066 1.858 0.881 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.996 0.887 2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.782 2.559 3.249 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.345 3.227 2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.788 2.807 1.487 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.374 0.206 3.000 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.399 0.323 1.224 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.368 -0.889 2.022 1.00 0.00 H new ATOM 440 N ALA A 34 -6.983 3.205 -1.417 1.00 0.00 N ATOM 441 CA ALA A 34 -7.229 4.590 -1.822 1.00 0.00 C ATOM 442 C ALA A 34 -8.354 4.710 -2.846 1.00 0.00 C ATOM 443 O ALA A 34 -9.226 5.568 -2.718 1.00 0.00 O ATOM 444 CB ALA A 34 -5.959 5.208 -2.377 1.00 0.00 C ATOM 0 H ALA A 34 -6.035 2.878 -1.605 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.543 5.131 -0.929 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.156 6.238 -2.675 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.183 5.193 -1.612 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.625 4.637 -3.244 1.00 0.00 H new ATOM 450 N ALA A 35 -8.331 3.860 -3.866 1.00 0.00 N ATOM 451 CA ALA A 35 -9.356 3.904 -4.906 1.00 0.00 C ATOM 452 C ALA A 35 -10.650 3.233 -4.443 1.00 0.00 C ATOM 453 O ALA A 35 -11.703 3.403 -5.058 1.00 0.00 O ATOM 454 CB ALA A 35 -8.844 3.276 -6.193 1.00 0.00 C ATOM 0 H ALA A 35 -7.622 3.138 -3.996 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.584 4.951 -5.106 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -9.623 3.319 -6.954 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.967 3.822 -6.540 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.575 2.236 -6.008 1.00 0.00 H new ATOM 460 N LEU A 36 -10.564 2.493 -3.341 1.00 0.00 N ATOM 461 CA LEU A 36 -11.723 1.820 -2.769 1.00 0.00 C ATOM 462 C LEU A 36 -12.626 2.849 -2.094 1.00 0.00 C ATOM 463 O LEU A 36 -13.821 2.935 -2.380 1.00 0.00 O ATOM 464 CB LEU A 36 -11.277 0.770 -1.745 1.00 0.00 C ATOM 465 CG LEU A 36 -12.406 -0.011 -1.069 1.00 0.00 C ATOM 466 CD1 LEU A 36 -12.993 -1.043 -2.013 1.00 0.00 C ATOM 467 CD2 LEU A 36 -11.902 -0.679 0.195 1.00 0.00 C ATOM 0 H LEU A 36 -9.697 2.345 -2.825 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.272 1.319 -3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.615 0.061 -2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.690 1.267 -0.973 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.194 0.693 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.793 -1.584 -1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.393 -0.543 -2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.215 -1.744 -2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -12.716 -1.231 0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.094 -1.367 -0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.532 0.080 0.885 1.00 0.00 H new ATOM 479 N LYS A 37 -12.028 3.638 -1.205 1.00 0.00 N ATOM 480 CA LYS A 37 -12.746 4.685 -0.484 1.00 0.00 C ATOM 481 C LYS A 37 -11.759 5.619 0.213 1.00 0.00 C ATOM 482 O LYS A 37 -12.101 6.758 0.544 1.00 0.00 O ATOM 483 CB LYS A 37 -13.695 4.084 0.563 1.00 0.00 C ATOM 484 CG LYS A 37 -14.636 5.111 1.180 1.00 0.00 C ATOM 485 CD LYS A 37 -15.311 4.593 2.442 1.00 0.00 C ATOM 486 CE LYS A 37 -16.227 5.648 3.047 1.00 0.00 C ATOM 487 NZ LYS A 37 -16.752 5.248 4.382 1.00 0.00 N ATOM 0 H LYS A 37 -11.039 3.571 -0.965 1.00 0.00 H new ATOM 0 HA LYS A 37 -13.333 5.246 -1.211 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -14.285 3.294 0.098 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.106 3.619 1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.077 6.017 1.415 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -15.398 5.387 0.451 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -15.887 3.698 2.208 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.554 4.304 3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.682 6.587 3.141 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -17.062 5.830 2.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -16.917 6.097 4.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -17.647 4.731 4.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.059 4.636 4.858 1.00 0.00 H new ATOM 501 N ALA A 38 -10.541 5.112 0.447 1.00 0.00 N ATOM 502 CA ALA A 38 -9.477 5.864 1.123 1.00 0.00 C ATOM 503 C ALA A 38 -9.836 6.134 2.582 1.00 0.00 C ATOM 504 O ALA A 38 -9.352 7.097 3.184 1.00 0.00 O ATOM 505 CB ALA A 38 -9.168 7.163 0.387 1.00 0.00 C ATOM 0 H ALA A 38 -10.266 4.169 0.173 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.577 5.250 1.108 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.376 7.699 0.911 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.843 6.937 -0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -10.064 7.783 0.352 1.00 0.00 H new ATOM 511 N ALA A 39 -10.682 5.267 3.138 1.00 0.00 N ATOM 512 CA ALA A 39 -11.126 5.368 4.526 1.00 0.00 C ATOM 513 C ALA A 39 -11.808 4.067 4.947 1.00 0.00 C ATOM 514 O ALA A 39 -11.770 3.084 4.207 1.00 0.00 O ATOM 515 CB ALA A 39 -12.076 6.545 4.701 1.00 0.00 C ATOM 0 H ALA A 39 -11.079 4.473 2.636 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.256 5.535 5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.395 6.603 5.742 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.566 7.468 4.426 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.948 6.407 4.061 1.00 0.00 H new ATOM 521 N GLU A 40 -12.438 4.069 6.122 1.00 0.00 N ATOM 522 CA GLU A 40 -13.136 2.880 6.623 1.00 0.00 C ATOM 523 C GLU A 40 -14.312 2.510 5.725 1.00 0.00 C ATOM 524 O GLU A 40 -15.133 3.361 5.391 1.00 0.00 O ATOM 525 CB GLU A 40 -13.667 3.111 8.041 1.00 0.00 C ATOM 526 CG GLU A 40 -12.597 3.172 9.115 1.00 0.00 C ATOM 527 CD GLU A 40 -13.189 3.331 10.498 1.00 0.00 C ATOM 528 OE1 GLU A 40 -13.974 2.455 10.918 1.00 0.00 O ATOM 529 OE2 GLU A 40 -12.884 4.340 11.155 1.00 0.00 O ATOM 0 H GLU A 40 -12.481 4.876 6.744 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.410 2.067 6.628 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -14.231 4.043 8.056 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -14.366 2.311 8.288 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.997 2.263 9.080 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.925 4.006 8.910 1.00 0.00 H new ATOM 536 N GLY A 41 -14.406 1.241 5.352 1.00 0.00 N ATOM 537 CA GLY A 41 -15.511 0.812 4.515 1.00 0.00 C ATOM 538 C GLY A 41 -15.135 -0.281 3.538 1.00 0.00 C ATOM 539 O GLY A 41 -14.054 -0.255 2.954 1.00 0.00 O ATOM 0 H GLY A 41 -13.746 0.508 5.610 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -16.323 0.458 5.151 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -15.892 1.670 3.961 1.00 0.00 H new ATOM 543 N CYS A 42 -16.049 -1.239 3.356 1.00 0.00 N ATOM 544 CA CYS A 42 -15.848 -2.361 2.433 1.00 0.00 C ATOM 545 C CYS A 42 -14.653 -3.222 2.826 1.00 0.00 C ATOM 546 O CYS A 42 -13.986 -3.806 1.968 1.00 0.00 O ATOM 547 CB CYS A 42 -15.676 -1.853 1.000 1.00 0.00 C ATOM 548 SG CYS A 42 -17.174 -1.083 0.307 1.00 0.00 S ATOM 0 H CYS A 42 -16.946 -1.259 3.842 1.00 0.00 H new ATOM 0 HA CYS A 42 -16.739 -2.986 2.491 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -14.862 -1.128 0.977 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -15.379 -2.686 0.363 1.00 0.00 H new ATOM 0 HG CYS A 42 -16.934 -0.682 -0.906 1.00 0.00 H new ATOM 553 N ALA A 43 -14.390 -3.313 4.122 1.00 0.00 N ATOM 554 CA ALA A 43 -13.276 -4.109 4.612 1.00 0.00 C ATOM 555 C ALA A 43 -13.634 -5.585 4.673 1.00 0.00 C ATOM 556 O ALA A 43 -12.849 -6.432 4.272 1.00 0.00 O ATOM 557 CB ALA A 43 -12.838 -3.621 5.977 1.00 0.00 C ATOM 0 H ALA A 43 -14.931 -2.847 4.850 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.450 -3.991 3.911 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.004 -4.227 6.330 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.526 -2.579 5.908 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -13.669 -3.705 6.677 1.00 0.00 H new ATOM 563 N SER A 44 -14.816 -5.890 5.178 1.00 0.00 N ATOM 564 CA SER A 44 -15.263 -7.275 5.292 1.00 0.00 C ATOM 565 C SER A 44 -15.526 -7.888 3.916 1.00 0.00 C ATOM 566 O SER A 44 -15.626 -9.103 3.776 1.00 0.00 O ATOM 567 CB SER A 44 -16.528 -7.337 6.145 1.00 0.00 C ATOM 568 OG SER A 44 -16.353 -6.610 7.354 1.00 0.00 O ATOM 0 H SER A 44 -15.487 -5.200 5.517 1.00 0.00 H new ATOM 0 HA SER A 44 -14.472 -7.853 5.770 1.00 0.00 H new ATOM 0 HB2 SER A 44 -17.370 -6.927 5.587 1.00 0.00 H new ATOM 0 HB3 SER A 44 -16.770 -8.375 6.371 1.00 0.00 H new ATOM 0 HG SER A 44 -17.174 -6.659 7.887 1.00 0.00 H new ATOM 574 N CYS A 45 -15.642 -7.040 2.904 1.00 0.00 N ATOM 575 CA CYS A 45 -15.901 -7.501 1.546 1.00 0.00 C ATOM 576 C CYS A 45 -14.633 -8.042 0.894 1.00 0.00 C ATOM 577 O CYS A 45 -14.607 -9.167 0.400 1.00 0.00 O ATOM 578 CB CYS A 45 -16.474 -6.354 0.706 1.00 0.00 C ATOM 579 SG CYS A 45 -16.957 -6.824 -0.986 1.00 0.00 S ATOM 0 H CYS A 45 -15.561 -6.028 2.997 1.00 0.00 H new ATOM 0 HA CYS A 45 -16.627 -8.312 1.596 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -17.345 -5.945 1.218 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -15.733 -5.556 0.650 1.00 0.00 H new ATOM 584 N PHE A 46 -13.592 -7.225 0.873 1.00 0.00 N ATOM 585 CA PHE A 46 -12.331 -7.607 0.250 1.00 0.00 C ATOM 586 C PHE A 46 -11.274 -8.019 1.273 1.00 0.00 C ATOM 587 O PHE A 46 -10.627 -9.052 1.127 1.00 0.00 O ATOM 588 CB PHE A 46 -11.838 -6.431 -0.608 1.00 0.00 C ATOM 589 CG PHE A 46 -10.378 -6.459 -0.971 1.00 0.00 C ATOM 590 CD1 PHE A 46 -9.413 -6.018 -0.078 1.00 0.00 C ATOM 591 CD2 PHE A 46 -9.973 -6.915 -2.210 1.00 0.00 C ATOM 592 CE1 PHE A 46 -8.078 -6.031 -0.415 1.00 0.00 C ATOM 593 CE2 PHE A 46 -8.640 -6.928 -2.554 1.00 0.00 C ATOM 594 CZ PHE A 46 -7.688 -6.485 -1.654 1.00 0.00 C ATOM 0 H PHE A 46 -13.594 -6.290 1.281 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.502 -8.484 -0.374 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.422 -6.405 -1.528 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -12.044 -5.503 -0.074 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -9.713 -5.659 0.896 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -10.710 -7.265 -2.917 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.338 -5.685 0.292 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.337 -7.284 -3.528 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.642 -6.495 -1.923 1.00 0.00 H new ATOM 604 N CYS A 47 -11.084 -7.186 2.282 1.00 0.00 N ATOM 605 CA CYS A 47 -10.073 -7.419 3.317 1.00 0.00 C ATOM 606 C CYS A 47 -10.437 -8.536 4.287 1.00 0.00 C ATOM 607 O CYS A 47 -9.817 -8.657 5.333 1.00 0.00 O ATOM 608 CB CYS A 47 -9.876 -6.135 4.107 1.00 0.00 C ATOM 609 SG CYS A 47 -9.652 -4.666 3.058 1.00 0.00 S ATOM 0 H CYS A 47 -11.621 -6.329 2.413 1.00 0.00 H new ATOM 0 HA CYS A 47 -9.162 -7.727 2.804 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -10.738 -5.981 4.756 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.006 -6.246 4.754 1.00 0.00 H new ATOM 614 N GLU A 48 -11.432 -9.337 3.960 1.00 0.00 N ATOM 615 CA GLU A 48 -11.842 -10.418 4.840 1.00 0.00 C ATOM 616 C GLU A 48 -10.787 -11.517 4.891 1.00 0.00 C ATOM 617 O GLU A 48 -10.334 -11.916 5.965 1.00 0.00 O ATOM 618 CB GLU A 48 -13.161 -10.995 4.351 1.00 0.00 C ATOM 619 CG GLU A 48 -13.736 -12.075 5.252 1.00 0.00 C ATOM 620 CD GLU A 48 -14.003 -11.594 6.659 1.00 0.00 C ATOM 621 OE1 GLU A 48 -14.849 -10.698 6.832 1.00 0.00 O ATOM 622 OE2 GLU A 48 -13.370 -12.120 7.593 1.00 0.00 O ATOM 0 H GLU A 48 -11.970 -9.262 3.097 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.962 -10.017 5.846 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.887 -10.187 4.260 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.017 -11.408 3.353 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.665 -12.445 4.818 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.044 -12.916 5.287 1.00 0.00 H new ATOM 629 N ASP A 49 -10.412 -12.005 3.716 1.00 0.00 N ATOM 630 CA ASP A 49 -9.420 -13.068 3.604 1.00 0.00 C ATOM 631 C ASP A 49 -8.046 -12.587 4.062 1.00 0.00 C ATOM 632 O ASP A 49 -7.196 -13.388 4.459 1.00 0.00 O ATOM 633 CB ASP A 49 -9.349 -13.561 2.156 1.00 0.00 C ATOM 634 CG ASP A 49 -8.510 -14.807 2.004 1.00 0.00 C ATOM 635 OD1 ASP A 49 -8.806 -15.807 2.684 1.00 0.00 O ATOM 636 OD2 ASP A 49 -7.571 -14.797 1.186 1.00 0.00 O ATOM 0 H ASP A 49 -10.781 -11.680 2.822 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.723 -13.890 4.252 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.358 -13.761 1.795 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -8.936 -12.772 1.528 1.00 0.00 H new ATOM 641 N HIS A 50 -7.829 -11.279 4.004 1.00 0.00 N ATOM 642 CA HIS A 50 -6.549 -10.706 4.404 1.00 0.00 C ATOM 643 C HIS A 50 -6.689 -9.458 5.281 1.00 0.00 C ATOM 644 O HIS A 50 -6.959 -8.356 4.798 1.00 0.00 O ATOM 645 CB HIS A 50 -5.657 -10.409 3.180 1.00 0.00 C ATOM 646 CG HIS A 50 -6.351 -9.904 1.934 1.00 0.00 C ATOM 647 ND1 HIS A 50 -5.662 -9.681 0.763 1.00 0.00 N ATOM 648 CD2 HIS A 50 -7.653 -9.605 1.654 1.00 0.00 C ATOM 649 CE1 HIS A 50 -6.492 -9.278 -0.176 1.00 0.00 C ATOM 650 NE2 HIS A 50 -7.711 -9.227 0.331 1.00 0.00 N ATOM 0 H HIS A 50 -8.518 -10.598 3.686 1.00 0.00 H new ATOM 0 HA HIS A 50 -6.065 -11.466 5.017 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -4.911 -9.672 3.475 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -5.119 -11.322 2.923 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -8.484 -9.655 2.342 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -6.221 -9.030 -1.192 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -8.554 -8.953 -0.173 1.00 0.00 H new ATOM 658 N CYS A 51 -6.454 -9.645 6.575 1.00 0.00 N ATOM 659 CA CYS A 51 -6.496 -8.555 7.547 1.00 0.00 C ATOM 660 C CYS A 51 -5.087 -8.320 8.074 1.00 0.00 C ATOM 661 O CYS A 51 -4.717 -8.836 9.129 1.00 0.00 O ATOM 662 CB CYS A 51 -7.433 -8.892 8.708 1.00 0.00 C ATOM 663 SG CYS A 51 -9.181 -9.026 8.238 1.00 0.00 S ATOM 0 H CYS A 51 -6.229 -10.554 6.981 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.874 -7.656 7.060 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -7.115 -9.834 9.155 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.333 -8.125 9.476 1.00 0.00 H new ATOM 668 N HIS A 52 -4.286 -7.589 7.308 1.00 0.00 N ATOM 669 CA HIS A 52 -2.897 -7.346 7.669 1.00 0.00 C ATOM 670 C HIS A 52 -2.450 -5.923 7.315 1.00 0.00 C ATOM 671 O HIS A 52 -1.629 -5.333 8.015 1.00 0.00 O ATOM 672 CB HIS A 52 -2.047 -8.420 6.956 1.00 0.00 C ATOM 673 CG HIS A 52 -0.571 -8.169 6.826 1.00 0.00 C ATOM 674 ND1 HIS A 52 -0.032 -7.200 6.004 1.00 0.00 N ATOM 675 CD2 HIS A 52 0.482 -8.836 7.352 1.00 0.00 C ATOM 676 CE1 HIS A 52 1.285 -7.288 6.026 1.00 0.00 C ATOM 677 NE2 HIS A 52 1.625 -8.274 6.838 1.00 0.00 N ATOM 0 H HIS A 52 -4.576 -7.154 6.432 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.768 -7.421 8.749 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.182 -9.362 7.488 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.453 -8.559 5.954 1.00 0.00 H new ATOM 0 HD2 HIS A 52 0.433 -9.660 8.049 1.00 0.00 H new ATOM 0 HE1 HIS A 52 1.969 -6.660 5.474 1.00 0.00 H new ATOM 0 HE2 HIS A 52 2.579 -8.569 7.048 1.00 0.00 H new ATOM 685 N GLY A 53 -2.968 -5.386 6.220 1.00 0.00 N ATOM 686 CA GLY A 53 -2.567 -4.058 5.790 1.00 0.00 C ATOM 687 C GLY A 53 -3.353 -2.908 6.394 1.00 0.00 C ATOM 688 O GLY A 53 -4.027 -3.055 7.412 1.00 0.00 O ATOM 0 H GLY A 53 -3.657 -5.843 5.622 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.513 -3.920 6.031 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.655 -4.005 4.705 1.00 0.00 H new ATOM 692 N VAL A 54 -3.236 -1.752 5.735 1.00 0.00 N ATOM 693 CA VAL A 54 -3.892 -0.498 6.134 1.00 0.00 C ATOM 694 C VAL A 54 -5.424 -0.628 6.201 1.00 0.00 C ATOM 695 O VAL A 54 -6.116 0.252 6.714 1.00 0.00 O ATOM 696 CB VAL A 54 -3.474 0.633 5.145 1.00 0.00 C ATOM 697 CG1 VAL A 54 -3.810 0.264 3.702 1.00 0.00 C ATOM 698 CG2 VAL A 54 -4.102 1.968 5.508 1.00 0.00 C ATOM 0 H VAL A 54 -2.671 -1.657 4.891 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.563 -0.250 7.143 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.393 0.739 5.231 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.506 1.074 3.039 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.281 -0.648 3.427 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.884 0.103 3.608 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.784 2.726 4.793 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.188 1.878 5.482 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.786 2.259 6.510 1.00 0.00 H new ATOM 708 N CYS A 55 -5.952 -1.732 5.701 1.00 0.00 N ATOM 709 CA CYS A 55 -7.389 -1.960 5.725 1.00 0.00 C ATOM 710 C CYS A 55 -7.850 -2.403 7.107 1.00 0.00 C ATOM 711 O CYS A 55 -8.969 -2.112 7.518 1.00 0.00 O ATOM 712 CB CYS A 55 -7.765 -3.015 4.702 1.00 0.00 C ATOM 713 SG CYS A 55 -9.548 -3.143 4.385 1.00 0.00 S ATOM 0 H CYS A 55 -5.410 -2.483 5.274 1.00 0.00 H new ATOM 0 HA CYS A 55 -7.884 -1.020 5.480 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -7.256 -2.793 3.764 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -7.398 -3.983 5.043 1.00 0.00 H new ATOM 718 N LYS A 56 -6.987 -3.111 7.823 1.00 0.00 N ATOM 719 CA LYS A 56 -7.330 -3.581 9.163 1.00 0.00 C ATOM 720 C LYS A 56 -6.921 -2.550 10.211 1.00 0.00 C ATOM 721 O LYS A 56 -7.163 -2.740 11.403 1.00 0.00 O ATOM 722 CB LYS A 56 -6.685 -4.953 9.453 1.00 0.00 C ATOM 723 CG LYS A 56 -5.157 -4.957 9.493 1.00 0.00 C ATOM 724 CD LYS A 56 -4.597 -4.506 10.838 1.00 0.00 C ATOM 725 CE LYS A 56 -3.072 -4.526 10.828 1.00 0.00 C ATOM 726 NZ LYS A 56 -2.490 -3.996 12.090 1.00 0.00 N ATOM 0 H LYS A 56 -6.053 -3.372 7.505 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.411 -3.708 9.213 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.059 -5.318 10.410 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.015 -5.660 8.692 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.796 -5.962 9.273 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.776 -4.303 8.709 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.950 -3.500 11.064 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.968 -5.159 11.628 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -2.726 -5.548 10.672 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -2.709 -3.935 9.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.452 -4.030 12.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -2.797 -3.012 12.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.813 -4.575 12.891 1.00 0.00 H new ATOM 740 N ASP A 57 -6.299 -1.461 9.750 1.00 0.00 N ATOM 741 CA ASP A 57 -5.852 -0.389 10.636 1.00 0.00 C ATOM 742 C ASP A 57 -7.037 0.138 11.443 1.00 0.00 C ATOM 743 O ASP A 57 -8.059 0.528 10.868 1.00 0.00 O ATOM 744 CB ASP A 57 -5.187 0.730 9.817 1.00 0.00 C ATOM 745 CG ASP A 57 -4.481 1.759 10.674 1.00 0.00 C ATOM 746 OD1 ASP A 57 -4.404 1.569 11.903 1.00 0.00 O ATOM 747 OD2 ASP A 57 -3.980 2.753 10.111 1.00 0.00 O ATOM 0 H ASP A 57 -6.094 -1.301 8.764 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.110 -0.776 11.334 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.469 0.288 9.126 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.945 1.229 9.213 1.00 0.00 H new ATOM 752 N LEU A 58 -6.887 0.072 12.774 1.00 0.00 N ATOM 753 CA LEU A 58 -7.907 0.460 13.758 1.00 0.00 C ATOM 754 C LEU A 58 -8.761 -0.757 14.081 1.00 0.00 C ATOM 755 O LEU A 58 -8.720 -1.261 15.205 1.00 0.00 O ATOM 756 CB LEU A 58 -8.790 1.628 13.288 1.00 0.00 C ATOM 757 CG LEU A 58 -9.808 2.130 14.316 1.00 0.00 C ATOM 758 CD1 LEU A 58 -9.107 2.768 15.506 1.00 0.00 C ATOM 759 CD2 LEU A 58 -10.771 3.114 13.676 1.00 0.00 C ATOM 0 H LEU A 58 -6.027 -0.263 13.208 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.391 0.816 14.650 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.145 2.459 13.004 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.326 1.319 12.390 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.377 1.273 14.676 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.851 3.117 16.222 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.460 2.033 15.984 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.508 3.612 15.165 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.487 3.460 14.422 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.214 3.966 13.285 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.304 2.624 12.861 1.00 0.00 H new ATOM 771 N HIS A 59 -9.487 -1.228 13.059 1.00 0.00 N ATOM 772 CA HIS A 59 -10.360 -2.418 13.122 1.00 0.00 C ATOM 773 C HIS A 59 -11.476 -2.278 12.097 1.00 0.00 C ATOM 774 O HIS A 59 -12.246 -1.317 12.144 1.00 0.00 O ATOM 775 CB HIS A 59 -10.984 -2.640 14.505 1.00 0.00 C ATOM 776 CG HIS A 59 -11.335 -4.073 14.764 1.00 0.00 C ATOM 777 ND1 HIS A 59 -12.324 -4.743 14.081 1.00 0.00 N ATOM 778 CD2 HIS A 59 -10.787 -4.979 15.607 1.00 0.00 C ATOM 779 CE1 HIS A 59 -12.371 -5.998 14.490 1.00 0.00 C ATOM 780 NE2 HIS A 59 -11.445 -6.171 15.418 1.00 0.00 N ATOM 0 H HIS A 59 -9.487 -0.784 12.140 1.00 0.00 H new ATOM 0 HA HIS A 59 -9.730 -3.282 12.909 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -10.288 -2.298 15.271 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -11.882 -2.029 14.595 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -9.980 -4.798 16.302 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -13.051 -6.755 14.128 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -11.251 -7.043 15.911 1.00 0.00 H new ATOM 788 N LEU A 60 -11.562 -3.229 11.171 1.00 0.00 N ATOM 789 CA LEU A 60 -12.587 -3.193 10.137 1.00 0.00 C ATOM 790 C LEU A 60 -13.040 -4.593 9.726 1.00 0.00 C ATOM 791 O LEU A 60 -14.232 -4.903 9.778 1.00 0.00 O ATOM 792 CB LEU A 60 -12.081 -2.426 8.914 1.00 0.00 C ATOM 793 CG LEU A 60 -12.182 -0.903 9.008 1.00 0.00 C ATOM 794 CD1 LEU A 60 -11.562 -0.251 7.783 1.00 0.00 C ATOM 795 CD2 LEU A 60 -13.635 -0.475 9.164 1.00 0.00 C ATOM 0 H LEU A 60 -10.935 -4.032 11.117 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.451 -2.678 10.557 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.038 -2.694 8.744 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -12.642 -2.757 8.040 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.629 -0.574 9.888 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.643 0.833 7.867 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.511 -0.532 7.714 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -12.087 -0.585 6.888 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -13.689 0.612 9.229 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.209 -0.816 8.302 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.048 -0.914 10.072 1.00 0.00 H new ATOM 807 N CYS A 61 -12.099 -5.435 9.310 1.00 0.00 N ATOM 808 CA CYS A 61 -12.431 -6.796 8.891 1.00 0.00 C ATOM 809 C CYS A 61 -12.270 -7.772 10.050 1.00 0.00 C ATOM 810 O CYS A 61 -11.803 -7.346 11.124 1.00 0.00 O ATOM 811 CB CYS A 61 -11.554 -7.243 7.716 1.00 0.00 C ATOM 812 SG CYS A 61 -9.767 -7.096 8.024 1.00 0.00 S ATOM 813 OXT CYS A 61 -12.612 -8.958 9.879 1.00 0.00 O ATOM 0 H CYS A 61 -11.107 -5.203 9.253 1.00 0.00 H new ATOM 0 HA CYS A 61 -13.472 -6.794 8.568 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.786 -8.281 7.477 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.811 -6.649 6.839 1.00 0.00 H new ATOM 1003 N CYS B 74 19.499 -7.228 4.333 1.00 0.00 N ATOM 1004 CA CYS B 74 18.305 -6.599 4.935 1.00 0.00 C ATOM 1005 C CYS B 74 17.329 -7.592 5.575 1.00 0.00 C ATOM 1006 O CYS B 74 16.338 -7.173 6.173 1.00 0.00 O ATOM 1007 CB CYS B 74 17.554 -5.709 3.922 1.00 0.00 C ATOM 1008 SG CYS B 74 16.476 -6.583 2.730 1.00 0.00 S ATOM 0 HA CYS B 74 18.698 -5.979 5.741 1.00 0.00 H new ATOM 0 HB2 CYS B 74 16.945 -4.996 4.477 1.00 0.00 H new ATOM 0 HB3 CYS B 74 18.289 -5.132 3.361 1.00 0.00 H new ATOM 1013 N ALA B 75 17.592 -8.888 5.458 1.00 0.00 N ATOM 1014 CA ALA B 75 16.708 -9.902 6.026 1.00 0.00 C ATOM 1015 C ALA B 75 16.701 -9.871 7.553 1.00 0.00 C ATOM 1016 O ALA B 75 15.723 -10.266 8.177 1.00 0.00 O ATOM 1017 CB ALA B 75 17.098 -11.281 5.519 1.00 0.00 C ATOM 0 H ALA B 75 18.409 -9.263 4.976 1.00 0.00 H new ATOM 0 HA ALA B 75 15.694 -9.674 5.698 1.00 0.00 H new ATOM 0 HB1 ALA B 75 16.432 -12.029 5.949 1.00 0.00 H new ATOM 0 HB2 ALA B 75 17.017 -11.305 4.432 1.00 0.00 H new ATOM 0 HB3 ALA B 75 18.125 -11.499 5.811 1.00 0.00 H new ATOM 1023 N ALA B 76 17.791 -9.395 8.151 1.00 0.00 N ATOM 1024 CA ALA B 76 17.898 -9.315 9.611 1.00 0.00 C ATOM 1025 C ALA B 76 16.901 -8.316 10.208 1.00 0.00 C ATOM 1026 O ALA B 76 16.746 -8.238 11.430 1.00 0.00 O ATOM 1027 CB ALA B 76 19.315 -8.934 10.010 1.00 0.00 C ATOM 0 H ALA B 76 18.613 -9.059 7.650 1.00 0.00 H new ATOM 0 HA ALA B 76 17.656 -10.300 10.010 1.00 0.00 H new ATOM 0 HB1 ALA B 76 19.384 -8.877 11.096 1.00 0.00 H new ATOM 0 HB2 ALA B 76 20.012 -9.687 9.641 1.00 0.00 H new ATOM 0 HB3 ALA B 76 19.566 -7.965 9.579 1.00 0.00 H new ATOM 1033 N ALA B 77 16.232 -7.543 9.354 1.00 0.00 N ATOM 1034 CA ALA B 77 15.265 -6.554 9.826 1.00 0.00 C ATOM 1035 C ALA B 77 13.867 -6.802 9.267 1.00 0.00 C ATOM 1036 O ALA B 77 12.873 -6.538 9.938 1.00 0.00 O ATOM 1037 CB ALA B 77 15.719 -5.145 9.472 1.00 0.00 C ATOM 0 H ALA B 77 16.340 -7.581 8.340 1.00 0.00 H new ATOM 0 HA ALA B 77 15.214 -6.656 10.910 1.00 0.00 H new ATOM 0 HB1 ALA B 77 14.985 -4.425 9.833 1.00 0.00 H new ATOM 0 HB2 ALA B 77 16.683 -4.945 9.939 1.00 0.00 H new ATOM 0 HB3 ALA B 77 15.815 -5.055 8.390 1.00 0.00 H new ATOM 1043 N ILE B 78 13.788 -7.292 8.035 1.00 0.00 N ATOM 1044 CA ILE B 78 12.499 -7.542 7.408 1.00 0.00 C ATOM 1045 C ILE B 78 11.921 -8.880 7.829 1.00 0.00 C ATOM 1046 O ILE B 78 10.752 -8.979 8.202 1.00 0.00 O ATOM 1047 CB ILE B 78 12.589 -7.467 5.863 1.00 0.00 C ATOM 1048 CG1 ILE B 78 11.207 -7.707 5.247 1.00 0.00 C ATOM 1049 CG2 ILE B 78 13.626 -8.420 5.271 1.00 0.00 C ATOM 1050 CD1 ILE B 78 10.189 -6.657 5.634 1.00 0.00 C ATOM 0 H ILE B 78 14.595 -7.522 7.456 1.00 0.00 H new ATOM 0 HA ILE B 78 11.829 -6.754 7.752 1.00 0.00 H new ATOM 0 HB ILE B 78 12.930 -6.463 5.612 1.00 0.00 H new ATOM 0 HG12 ILE B 78 11.300 -7.730 4.161 1.00 0.00 H new ATOM 0 HG13 ILE B 78 10.844 -8.687 5.557 1.00 0.00 H new ATOM 0 HG21 ILE B 78 13.638 -8.317 4.186 1.00 0.00 H new ATOM 0 HG22 ILE B 78 14.611 -8.178 5.669 1.00 0.00 H new ATOM 0 HG23 ILE B 78 13.370 -9.446 5.535 1.00 0.00 H new ATOM 0 HD11 ILE B 78 9.233 -6.887 5.164 1.00 0.00 H new ATOM 0 HD12 ILE B 78 10.068 -6.649 6.717 1.00 0.00 H new ATOM 0 HD13 ILE B 78 10.531 -5.678 5.300 1.00 0.00 H new ATOM 1062 N ALA B 79 12.747 -9.901 7.752 1.00 0.00 N ATOM 1063 CA ALA B 79 12.334 -11.259 8.109 1.00 0.00 C ATOM 1064 C ALA B 79 11.825 -11.346 9.548 1.00 0.00 C ATOM 1065 O ALA B 79 11.031 -12.227 9.876 1.00 0.00 O ATOM 1066 CB ALA B 79 13.466 -12.249 7.895 1.00 0.00 C ATOM 0 H ALA B 79 13.716 -9.825 7.444 1.00 0.00 H new ATOM 0 HA ALA B 79 11.508 -11.520 7.447 1.00 0.00 H new ATOM 0 HB1 ALA B 79 13.131 -13.250 8.168 1.00 0.00 H new ATOM 0 HB2 ALA B 79 13.764 -12.240 6.847 1.00 0.00 H new ATOM 0 HB3 ALA B 79 14.317 -11.969 8.516 1.00 0.00 H new ATOM 1072 N GLY B 80 12.272 -10.426 10.397 1.00 0.00 N ATOM 1073 CA GLY B 80 11.836 -10.418 11.784 1.00 0.00 C ATOM 1074 C GLY B 80 10.442 -9.849 11.940 1.00 0.00 C ATOM 1075 O GLY B 80 9.748 -10.138 12.914 1.00 0.00 O ATOM 0 H GLY B 80 12.928 -9.685 10.150 1.00 0.00 H new ATOM 0 HA2 GLY B 80 11.858 -11.435 12.176 1.00 0.00 H new ATOM 0 HA3 GLY B 80 12.535 -9.831 12.380 1.00 0.00 H new ATOM 1079 N ALA B 81 10.026 -9.044 10.969 1.00 0.00 N ATOM 1080 CA ALA B 81 8.707 -8.438 10.990 1.00 0.00 C ATOM 1081 C ALA B 81 7.655 -9.426 10.504 1.00 0.00 C ATOM 1082 O ALA B 81 6.458 -9.250 10.742 1.00 0.00 O ATOM 1083 CB ALA B 81 8.687 -7.181 10.137 1.00 0.00 C ATOM 0 H ALA B 81 10.589 -8.797 10.155 1.00 0.00 H new ATOM 0 HA ALA B 81 8.472 -8.164 12.018 1.00 0.00 H new ATOM 0 HB1 ALA B 81 7.691 -6.739 10.164 1.00 0.00 H new ATOM 0 HB2 ALA B 81 9.412 -6.466 10.526 1.00 0.00 H new ATOM 0 HB3 ALA B 81 8.944 -7.435 9.109 1.00 0.00 H new ATOM 1089 N VAL B 82 8.115 -10.468 9.823 1.00 0.00 N ATOM 1090 CA VAL B 82 7.244 -11.495 9.303 1.00 0.00 C ATOM 1091 C VAL B 82 6.602 -12.282 10.448 1.00 0.00 C ATOM 1092 O VAL B 82 5.401 -12.568 10.431 1.00 0.00 O ATOM 1093 CB VAL B 82 8.045 -12.449 8.395 1.00 0.00 C ATOM 1094 CG1 VAL B 82 7.148 -13.515 7.818 1.00 0.00 C ATOM 1095 CG2 VAL B 82 8.745 -11.679 7.285 1.00 0.00 C ATOM 0 H VAL B 82 9.103 -10.618 9.620 1.00 0.00 H new ATOM 0 HA VAL B 82 6.454 -11.022 8.720 1.00 0.00 H new ATOM 0 HB VAL B 82 8.807 -12.936 9.004 1.00 0.00 H new ATOM 0 HG11 VAL B 82 7.734 -14.177 7.180 1.00 0.00 H new ATOM 0 HG12 VAL B 82 6.701 -14.092 8.628 1.00 0.00 H new ATOM 0 HG13 VAL B 82 6.360 -13.047 7.228 1.00 0.00 H new ATOM 0 HG21 VAL B 82 9.304 -12.373 6.657 1.00 0.00 H new ATOM 0 HG22 VAL B 82 8.003 -11.159 6.679 1.00 0.00 H new ATOM 0 HG23 VAL B 82 9.430 -10.953 7.722 1.00 0.00 H new ATOM 1105 N ALA B 83 7.417 -12.614 11.446 1.00 0.00 N ATOM 1106 CA ALA B 83 6.958 -13.363 12.612 1.00 0.00 C ATOM 1107 C ALA B 83 6.250 -12.464 13.625 1.00 0.00 C ATOM 1108 O ALA B 83 5.910 -12.903 14.721 1.00 0.00 O ATOM 1109 CB ALA B 83 8.134 -14.070 13.271 1.00 0.00 C ATOM 0 H ALA B 83 8.408 -12.373 11.470 1.00 0.00 H new ATOM 0 HA ALA B 83 6.234 -14.102 12.267 1.00 0.00 H new ATOM 0 HB1 ALA B 83 7.783 -14.627 14.140 1.00 0.00 H new ATOM 0 HB2 ALA B 83 8.590 -14.758 12.559 1.00 0.00 H new ATOM 0 HB3 ALA B 83 8.872 -13.332 13.586 1.00 0.00 H new ATOM 1115 N ALA B 84 6.035 -11.205 13.262 1.00 0.00 N ATOM 1116 CA ALA B 84 5.377 -10.259 14.147 1.00 0.00 C ATOM 1117 C ALA B 84 3.983 -9.882 13.652 1.00 0.00 C ATOM 1118 O ALA B 84 3.161 -9.379 14.421 1.00 0.00 O ATOM 1119 CB ALA B 84 6.224 -9.007 14.312 1.00 0.00 C ATOM 0 H ALA B 84 6.308 -10.818 12.359 1.00 0.00 H new ATOM 0 HA ALA B 84 5.264 -10.750 15.113 1.00 0.00 H new ATOM 0 HB1 ALA B 84 5.716 -8.309 14.978 1.00 0.00 H new ATOM 0 HB2 ALA B 84 7.191 -9.275 14.737 1.00 0.00 H new ATOM 0 HB3 ALA B 84 6.373 -8.538 13.340 1.00 0.00 H new ATOM 1125 N CYS B 85 3.716 -10.102 12.365 1.00 0.00 N ATOM 1126 CA CYS B 85 2.410 -9.757 11.800 1.00 0.00 C ATOM 1127 C CYS B 85 1.704 -10.988 11.225 1.00 0.00 C ATOM 1128 O CYS B 85 0.693 -10.869 10.536 1.00 0.00 O ATOM 1129 CB CYS B 85 2.560 -8.675 10.728 1.00 0.00 C ATOM 1130 SG CYS B 85 1.078 -7.636 10.504 1.00 0.00 S ATOM 0 H CYS B 85 4.374 -10.511 11.702 1.00 0.00 H new ATOM 0 HA CYS B 85 1.791 -9.368 12.608 1.00 0.00 H new ATOM 0 HB2 CYS B 85 3.403 -8.035 10.989 1.00 0.00 H new ATOM 0 HB3 CYS B 85 2.803 -9.151 9.778 1.00 0.00 H new ATOM 1135 N GLY B 86 2.227 -12.170 11.537 1.00 0.00 N ATOM 1136 CA GLY B 86 1.615 -13.410 11.074 1.00 0.00 C ATOM 1137 C GLY B 86 1.764 -13.674 9.586 1.00 0.00 C ATOM 1138 O GLY B 86 0.872 -14.263 8.974 1.00 0.00 O ATOM 0 H GLY B 86 3.066 -12.295 12.104 1.00 0.00 H new ATOM 0 HA2 GLY B 86 2.054 -14.243 11.623 1.00 0.00 H new ATOM 0 HA3 GLY B 86 0.554 -13.390 11.321 1.00 0.00 H new ATOM 1142 N GLY B 87 2.878 -13.265 8.995 1.00 0.00 N ATOM 1143 CA GLY B 87 3.074 -13.505 7.576 1.00 0.00 C ATOM 1144 C GLY B 87 3.894 -12.424 6.914 1.00 0.00 C ATOM 1145 O GLY B 87 4.360 -11.500 7.579 1.00 0.00 O ATOM 0 H GLY B 87 3.642 -12.777 9.464 1.00 0.00 H new ATOM 0 HA2 GLY B 87 3.568 -14.467 7.438 1.00 0.00 H new ATOM 0 HA3 GLY B 87 2.103 -13.572 7.085 1.00 0.00 H new ATOM 1149 N ILE B 88 4.072 -12.530 5.607 1.00 0.00 N ATOM 1150 CA ILE B 88 4.839 -11.540 4.872 1.00 0.00 C ATOM 1151 C ILE B 88 4.009 -10.929 3.746 1.00 0.00 C ATOM 1152 O ILE B 88 3.339 -11.640 2.993 1.00 0.00 O ATOM 1153 CB ILE B 88 6.148 -12.134 4.295 1.00 0.00 C ATOM 1154 CG1 ILE B 88 6.893 -11.077 3.477 1.00 0.00 C ATOM 1155 CG2 ILE B 88 5.873 -13.371 3.453 1.00 0.00 C ATOM 1156 CD1 ILE B 88 7.604 -10.048 4.325 1.00 0.00 C ATOM 0 H ILE B 88 3.697 -13.288 5.036 1.00 0.00 H new ATOM 0 HA ILE B 88 5.106 -10.758 5.583 1.00 0.00 H new ATOM 0 HB ILE B 88 6.778 -12.439 5.131 1.00 0.00 H new ATOM 0 HG12 ILE B 88 7.621 -11.573 2.835 1.00 0.00 H new ATOM 0 HG13 ILE B 88 6.184 -10.570 2.823 1.00 0.00 H new ATOM 0 HG21 ILE B 88 6.813 -13.762 3.064 1.00 0.00 H new ATOM 0 HG22 ILE B 88 5.391 -14.130 4.069 1.00 0.00 H new ATOM 0 HG23 ILE B 88 5.218 -13.108 2.623 1.00 0.00 H new ATOM 0 HD11 ILE B 88 8.110 -9.331 3.679 1.00 0.00 H new ATOM 0 HD12 ILE B 88 6.878 -9.526 4.948 1.00 0.00 H new ATOM 0 HD13 ILE B 88 8.337 -10.544 4.961 1.00 0.00 H new ATOM 1168 N ASP B 89 4.076 -9.608 3.636 1.00 0.00 N ATOM 1169 CA ASP B 89 3.360 -8.872 2.605 1.00 0.00 C ATOM 1170 C ASP B 89 4.069 -7.539 2.374 1.00 0.00 C ATOM 1171 O ASP B 89 5.128 -7.512 1.750 1.00 0.00 O ATOM 1172 CB ASP B 89 1.899 -8.666 3.009 1.00 0.00 C ATOM 1173 CG ASP B 89 1.039 -8.221 1.853 1.00 0.00 C ATOM 1174 OD1 ASP B 89 1.027 -8.916 0.819 1.00 0.00 O ATOM 1175 OD2 ASP B 89 0.370 -7.188 1.983 1.00 0.00 O ATOM 0 H ASP B 89 4.628 -9.018 4.259 1.00 0.00 H new ATOM 0 HA ASP B 89 3.359 -9.440 1.675 1.00 0.00 H new ATOM 0 HB2 ASP B 89 1.503 -9.597 3.416 1.00 0.00 H new ATOM 0 HB3 ASP B 89 1.846 -7.923 3.804 1.00 0.00 H new ATOM 1180 N LEU B 90 3.523 -6.443 2.915 1.00 0.00 N ATOM 1181 CA LEU B 90 4.164 -5.128 2.784 1.00 0.00 C ATOM 1182 C LEU B 90 3.555 -4.083 3.728 1.00 0.00 C ATOM 1183 O LEU B 90 4.276 -3.514 4.537 1.00 0.00 O ATOM 1184 CB LEU B 90 4.142 -4.616 1.335 1.00 0.00 C ATOM 1185 CG LEU B 90 4.719 -3.206 1.132 1.00 0.00 C ATOM 1186 CD1 LEU B 90 6.089 -3.078 1.783 1.00 0.00 C ATOM 1187 CD2 LEU B 90 4.818 -2.884 -0.347 1.00 0.00 C ATOM 0 H LEU B 90 2.649 -6.439 3.442 1.00 0.00 H new ATOM 0 HA LEU B 90 5.204 -5.274 3.076 1.00 0.00 H new ATOM 0 HB2 LEU B 90 4.701 -5.314 0.711 1.00 0.00 H new ATOM 0 HB3 LEU B 90 3.112 -4.625 0.979 1.00 0.00 H new ATOM 0 HG LEU B 90 4.044 -2.495 1.608 1.00 0.00 H new ATOM 0 HD11 LEU B 90 6.475 -2.071 1.624 1.00 0.00 H new ATOM 0 HD12 LEU B 90 6.003 -3.269 2.853 1.00 0.00 H new ATOM 0 HD13 LEU B 90 6.772 -3.802 1.339 1.00 0.00 H new ATOM 0 HD21 LEU B 90 5.228 -1.882 -0.475 1.00 0.00 H new ATOM 0 HD22 LEU B 90 5.471 -3.608 -0.834 1.00 0.00 H new ATOM 0 HD23 LEU B 90 3.826 -2.930 -0.797 1.00 0.00 H new ATOM 1199 N PRO B 91 2.235 -3.791 3.636 1.00 0.00 N ATOM 1200 CA PRO B 91 1.575 -2.784 4.482 1.00 0.00 C ATOM 1201 C PRO B 91 1.966 -2.838 5.961 1.00 0.00 C ATOM 1202 O PRO B 91 2.404 -1.837 6.525 1.00 0.00 O ATOM 1203 CB PRO B 91 0.079 -3.088 4.314 1.00 0.00 C ATOM 1204 CG PRO B 91 0.001 -4.333 3.486 1.00 0.00 C ATOM 1205 CD PRO B 91 1.271 -4.381 2.698 1.00 0.00 C ATOM 0 HA PRO B 91 1.870 -1.781 4.174 1.00 0.00 H new ATOM 0 HB2 PRO B 91 -0.401 -3.233 5.282 1.00 0.00 H new ATOM 0 HB3 PRO B 91 -0.435 -2.261 3.824 1.00 0.00 H new ATOM 0 HG2 PRO B 91 -0.101 -5.216 4.117 1.00 0.00 H new ATOM 0 HG3 PRO B 91 -0.867 -4.310 2.827 1.00 0.00 H new ATOM 0 HD2 PRO B 91 1.542 -5.400 2.422 1.00 0.00 H new ATOM 0 HD3 PRO B 91 1.199 -3.809 1.773 1.00 0.00 H new ATOM 1213 N CYS B 92 1.786 -3.990 6.592 1.00 0.00 N ATOM 1214 CA CYS B 92 2.106 -4.127 8.007 1.00 0.00 C ATOM 1215 C CYS B 92 3.595 -4.360 8.249 1.00 0.00 C ATOM 1216 O CYS B 92 4.138 -3.930 9.268 1.00 0.00 O ATOM 1217 CB CYS B 92 1.290 -5.262 8.632 1.00 0.00 C ATOM 1218 SG CYS B 92 1.816 -5.752 10.308 1.00 0.00 S ATOM 0 H CYS B 92 1.424 -4.836 6.152 1.00 0.00 H new ATOM 0 HA CYS B 92 1.843 -3.183 8.484 1.00 0.00 H new ATOM 0 HB2 CYS B 92 0.243 -4.960 8.669 1.00 0.00 H new ATOM 0 HB3 CYS B 92 1.347 -6.133 7.980 1.00 0.00 H new ATOM 1223 N VAL B 93 4.254 -5.047 7.325 1.00 0.00 N ATOM 1224 CA VAL B 93 5.663 -5.341 7.460 1.00 0.00 C ATOM 1225 C VAL B 93 6.507 -4.069 7.352 1.00 0.00 C ATOM 1226 O VAL B 93 7.582 -3.978 7.941 1.00 0.00 O ATOM 1227 CB VAL B 93 6.106 -6.343 6.382 1.00 0.00 C ATOM 1228 CG1 VAL B 93 7.107 -7.321 6.952 1.00 0.00 C ATOM 1229 CG2 VAL B 93 4.922 -7.093 5.800 1.00 0.00 C ATOM 0 H VAL B 93 3.827 -5.410 6.472 1.00 0.00 H new ATOM 0 HA VAL B 93 5.817 -5.777 8.447 1.00 0.00 H new ATOM 0 HB VAL B 93 6.576 -5.777 5.578 1.00 0.00 H new ATOM 0 HG11 VAL B 93 7.411 -8.024 6.176 1.00 0.00 H new ATOM 0 HG12 VAL B 93 7.981 -6.778 7.313 1.00 0.00 H new ATOM 0 HG13 VAL B 93 6.652 -7.867 7.779 1.00 0.00 H new ATOM 0 HG21 VAL B 93 5.272 -7.793 5.041 1.00 0.00 H new ATOM 0 HG22 VAL B 93 4.414 -7.642 6.593 1.00 0.00 H new ATOM 0 HG23 VAL B 93 4.229 -6.384 5.348 1.00 0.00 H new ATOM 1239 N LEU B 94 6.001 -3.095 6.601 1.00 0.00 N ATOM 1240 CA LEU B 94 6.686 -1.818 6.406 1.00 0.00 C ATOM 1241 C LEU B 94 6.840 -1.090 7.743 1.00 0.00 C ATOM 1242 O LEU B 94 7.866 -0.464 8.015 1.00 0.00 O ATOM 1243 CB LEU B 94 5.889 -0.959 5.404 1.00 0.00 C ATOM 1244 CG LEU B 94 6.575 0.314 4.882 1.00 0.00 C ATOM 1245 CD1 LEU B 94 6.429 1.462 5.867 1.00 0.00 C ATOM 1246 CD2 LEU B 94 8.045 0.054 4.589 1.00 0.00 C ATOM 0 H LEU B 94 5.109 -3.166 6.112 1.00 0.00 H new ATOM 0 HA LEU B 94 7.683 -1.998 6.003 1.00 0.00 H new ATOM 0 HB2 LEU B 94 5.636 -1.584 4.548 1.00 0.00 H new ATOM 0 HB3 LEU B 94 4.950 -0.670 5.876 1.00 0.00 H new ATOM 0 HG LEU B 94 6.080 0.598 3.954 1.00 0.00 H new ATOM 0 HD11 LEU B 94 6.924 2.348 5.469 1.00 0.00 H new ATOM 0 HD12 LEU B 94 5.372 1.676 6.022 1.00 0.00 H new ATOM 0 HD13 LEU B 94 6.886 1.186 6.817 1.00 0.00 H new ATOM 0 HD21 LEU B 94 8.510 0.969 4.221 1.00 0.00 H new ATOM 0 HD22 LEU B 94 8.547 -0.266 5.502 1.00 0.00 H new ATOM 0 HD23 LEU B 94 8.133 -0.727 3.834 1.00 0.00 H new ATOM 1258 N ALA B 95 5.805 -1.175 8.570 1.00 0.00 N ATOM 1259 CA ALA B 95 5.800 -0.527 9.877 1.00 0.00 C ATOM 1260 C ALA B 95 6.831 -1.135 10.827 1.00 0.00 C ATOM 1261 O ALA B 95 7.535 -0.416 11.536 1.00 0.00 O ATOM 1262 CB ALA B 95 4.414 -0.618 10.488 1.00 0.00 C ATOM 0 H ALA B 95 4.951 -1.691 8.357 1.00 0.00 H new ATOM 0 HA ALA B 95 6.073 0.518 9.728 1.00 0.00 H new ATOM 0 HB1 ALA B 95 4.414 -0.133 11.464 1.00 0.00 H new ATOM 0 HB2 ALA B 95 3.696 -0.121 9.836 1.00 0.00 H new ATOM 0 HB3 ALA B 95 4.135 -1.665 10.603 1.00 0.00 H new ATOM 1268 N ALA B 96 6.912 -2.462 10.844 1.00 0.00 N ATOM 1269 CA ALA B 96 7.853 -3.162 11.718 1.00 0.00 C ATOM 1270 C ALA B 96 9.201 -3.376 11.038 1.00 0.00 C ATOM 1271 O ALA B 96 9.984 -4.230 11.455 1.00 0.00 O ATOM 1272 CB ALA B 96 7.271 -4.495 12.167 1.00 0.00 C ATOM 0 H ALA B 96 6.339 -3.075 10.264 1.00 0.00 H new ATOM 0 HA ALA B 96 8.019 -2.534 12.593 1.00 0.00 H new ATOM 0 HB1 ALA B 96 7.984 -5.003 12.817 1.00 0.00 H new ATOM 0 HB2 ALA B 96 6.343 -4.322 12.712 1.00 0.00 H new ATOM 0 HB3 ALA B 96 7.069 -5.116 11.294 1.00 0.00 H new ATOM 1278 N LEU B 97 9.468 -2.598 10.000 1.00 0.00 N ATOM 1279 CA LEU B 97 10.722 -2.700 9.271 1.00 0.00 C ATOM 1280 C LEU B 97 11.839 -2.025 10.069 1.00 0.00 C ATOM 1281 O LEU B 97 12.884 -2.625 10.339 1.00 0.00 O ATOM 1282 CB LEU B 97 10.567 -2.052 7.889 1.00 0.00 C ATOM 1283 CG LEU B 97 11.753 -2.218 6.934 1.00 0.00 C ATOM 1284 CD1 LEU B 97 12.053 -3.690 6.692 1.00 0.00 C ATOM 1285 CD2 LEU B 97 11.472 -1.506 5.618 1.00 0.00 C ATOM 0 H LEU B 97 8.830 -1.887 9.643 1.00 0.00 H new ATOM 0 HA LEU B 97 10.984 -3.749 9.134 1.00 0.00 H new ATOM 0 HB2 LEU B 97 9.680 -2.469 7.411 1.00 0.00 H new ATOM 0 HB3 LEU B 97 10.384 -0.986 8.027 1.00 0.00 H new ATOM 0 HG LEU B 97 12.631 -1.767 7.395 1.00 0.00 H new ATOM 0 HD11 LEU B 97 12.899 -3.782 6.011 1.00 0.00 H new ATOM 0 HD12 LEU B 97 12.296 -4.172 7.639 1.00 0.00 H new ATOM 0 HD13 LEU B 97 11.180 -4.172 6.253 1.00 0.00 H new ATOM 0 HD21 LEU B 97 12.322 -1.631 4.948 1.00 0.00 H new ATOM 0 HD22 LEU B 97 10.581 -1.932 5.157 1.00 0.00 H new ATOM 0 HD23 LEU B 97 11.311 -0.444 5.806 1.00 0.00 H new ATOM 1297 N LYS B 98 11.595 -0.777 10.455 1.00 0.00 N ATOM 1298 CA LYS B 98 12.547 0.003 11.237 1.00 0.00 C ATOM 1299 C LYS B 98 11.788 0.824 12.278 1.00 0.00 C ATOM 1300 O LYS B 98 11.935 0.619 13.483 1.00 0.00 O ATOM 1301 CB LYS B 98 13.346 0.932 10.309 1.00 0.00 C ATOM 1302 CG LYS B 98 14.794 1.157 10.734 1.00 0.00 C ATOM 1303 CD LYS B 98 14.913 1.950 12.026 1.00 0.00 C ATOM 1304 CE LYS B 98 14.627 3.426 11.796 1.00 0.00 C ATOM 1305 NZ LYS B 98 15.546 4.038 10.791 1.00 0.00 N ATOM 0 H LYS B 98 10.733 -0.278 10.235 1.00 0.00 H new ATOM 0 HA LYS B 98 13.242 -0.667 11.743 1.00 0.00 H new ATOM 0 HB2 LYS B 98 13.337 0.515 9.302 1.00 0.00 H new ATOM 0 HB3 LYS B 98 12.841 1.897 10.259 1.00 0.00 H new ATOM 0 HG2 LYS B 98 15.285 0.192 10.859 1.00 0.00 H new ATOM 0 HG3 LYS B 98 15.323 1.684 9.940 1.00 0.00 H new ATOM 0 HD2 LYS B 98 14.216 1.553 12.764 1.00 0.00 H new ATOM 0 HD3 LYS B 98 15.915 1.831 12.437 1.00 0.00 H new ATOM 0 HE2 LYS B 98 13.597 3.545 11.461 1.00 0.00 H new ATOM 0 HE3 LYS B 98 14.719 3.962 12.741 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 15.564 5.070 10.920 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 16.505 3.656 10.919 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 15.210 3.815 9.832 1.00 0.00 H new ATOM 1361 N CYS B 103 15.823 0.794 5.300 1.00 0.00 N ATOM 1362 CA CYS B 103 15.885 -0.547 4.707 1.00 0.00 C ATOM 1363 C CYS B 103 14.642 -0.886 3.890 1.00 0.00 C ATOM 1364 O CYS B 103 14.243 -2.049 3.807 1.00 0.00 O ATOM 1365 CB CYS B 103 16.093 -1.598 5.800 1.00 0.00 C ATOM 1366 SG CYS B 103 17.717 -1.502 6.627 1.00 0.00 S ATOM 0 HA CYS B 103 16.733 -0.553 4.022 1.00 0.00 H new ATOM 0 HB2 CYS B 103 15.309 -1.488 6.549 1.00 0.00 H new ATOM 0 HB3 CYS B 103 15.978 -2.590 5.362 1.00 0.00 H new ATOM 0 HG CYS B 103 17.797 -2.428 7.535 1.00 0.00 H new ATOM 1371 N ALA B 104 14.039 0.123 3.277 1.00 0.00 N ATOM 1372 CA ALA B 104 12.847 -0.088 2.471 1.00 0.00 C ATOM 1373 C ALA B 104 13.196 -0.377 1.018 1.00 0.00 C ATOM 1374 O ALA B 104 12.417 -1.005 0.308 1.00 0.00 O ATOM 1375 CB ALA B 104 11.927 1.117 2.564 1.00 0.00 C ATOM 0 H ALA B 104 14.355 1.092 3.323 1.00 0.00 H new ATOM 0 HA ALA B 104 12.330 -0.962 2.867 1.00 0.00 H new ATOM 0 HB1 ALA B 104 11.039 0.945 1.956 1.00 0.00 H new ATOM 0 HB2 ALA B 104 11.632 1.270 3.602 1.00 0.00 H new ATOM 0 HB3 ALA B 104 12.449 2.002 2.201 1.00 0.00 H new ATOM 1381 N SER B 105 14.360 0.083 0.575 1.00 0.00 N ATOM 1382 CA SER B 105 14.786 -0.136 -0.805 1.00 0.00 C ATOM 1383 C SER B 105 14.991 -1.627 -1.082 1.00 0.00 C ATOM 1384 O SER B 105 14.521 -2.149 -2.092 1.00 0.00 O ATOM 1385 CB SER B 105 16.076 0.640 -1.099 1.00 0.00 C ATOM 1386 OG SER B 105 16.389 0.610 -2.484 1.00 0.00 O ATOM 0 H SER B 105 15.023 0.607 1.146 1.00 0.00 H new ATOM 0 HA SER B 105 13.999 0.231 -1.464 1.00 0.00 H new ATOM 0 HB2 SER B 105 15.965 1.673 -0.771 1.00 0.00 H new ATOM 0 HB3 SER B 105 16.900 0.211 -0.528 1.00 0.00 H new ATOM 0 HG SER B 105 17.215 1.113 -2.644 1.00 0.00 H new ATOM 1392 N CYS B 106 15.695 -2.298 -0.176 1.00 0.00 N ATOM 1393 CA CYS B 106 15.976 -3.728 -0.309 1.00 0.00 C ATOM 1394 C CYS B 106 14.696 -4.558 -0.358 1.00 0.00 C ATOM 1395 O CYS B 106 14.530 -5.407 -1.232 1.00 0.00 O ATOM 1396 CB CYS B 106 16.854 -4.198 0.857 1.00 0.00 C ATOM 1397 SG CYS B 106 17.151 -5.999 0.901 1.00 0.00 S ATOM 0 H CYS B 106 16.085 -1.873 0.665 1.00 0.00 H new ATOM 0 HA CYS B 106 16.503 -3.874 -1.252 1.00 0.00 H new ATOM 0 HB2 CYS B 106 17.814 -3.685 0.802 1.00 0.00 H new ATOM 0 HB3 CYS B 106 16.385 -3.897 1.793 1.00 0.00 H new ATOM 1402 N PHE B 107 13.807 -4.324 0.598 1.00 0.00 N ATOM 1403 CA PHE B 107 12.556 -5.067 0.679 1.00 0.00 C ATOM 1404 C PHE B 107 11.554 -4.662 -0.403 1.00 0.00 C ATOM 1405 O PHE B 107 11.095 -5.499 -1.175 1.00 0.00 O ATOM 1406 CB PHE B 107 11.923 -4.871 2.057 1.00 0.00 C ATOM 1407 CG PHE B 107 10.617 -5.586 2.215 1.00 0.00 C ATOM 1408 CD1 PHE B 107 10.555 -6.964 2.110 1.00 0.00 C ATOM 1409 CD2 PHE B 107 9.450 -4.883 2.465 1.00 0.00 C ATOM 1410 CE1 PHE B 107 9.357 -7.629 2.254 1.00 0.00 C ATOM 1411 CE2 PHE B 107 8.246 -5.544 2.606 1.00 0.00 C ATOM 1412 CZ PHE B 107 8.199 -6.919 2.503 1.00 0.00 C ATOM 0 H PHE B 107 13.929 -3.624 1.330 1.00 0.00 H new ATOM 0 HA PHE B 107 12.801 -6.117 0.518 1.00 0.00 H new ATOM 0 HB2 PHE B 107 12.616 -5.222 2.821 1.00 0.00 H new ATOM 0 HB3 PHE B 107 11.770 -3.806 2.231 1.00 0.00 H new ATOM 0 HD1 PHE B 107 11.456 -7.525 1.913 1.00 0.00 H new ATOM 0 HD2 PHE B 107 9.482 -3.807 2.551 1.00 0.00 H new ATOM 0 HE1 PHE B 107 9.324 -8.705 2.172 1.00 0.00 H new ATOM 0 HE2 PHE B 107 7.342 -4.985 2.797 1.00 0.00 H new ATOM 0 HZ PHE B 107 7.259 -7.439 2.617 1.00 0.00 H new ATOM 1422 N CYS B 108 11.190 -3.389 -0.430 1.00 0.00 N ATOM 1423 CA CYS B 108 10.203 -2.886 -1.386 1.00 0.00 C ATOM 1424 C CYS B 108 10.773 -2.654 -2.779 1.00 0.00 C ATOM 1425 O CYS B 108 10.348 -1.727 -3.458 1.00 0.00 O ATOM 1426 CB CYS B 108 9.638 -1.563 -0.892 1.00 0.00 C ATOM 1427 SG CYS B 108 9.106 -1.563 0.844 1.00 0.00 S ATOM 0 H CYS B 108 11.563 -2.679 0.200 1.00 0.00 H new ATOM 0 HA CYS B 108 9.435 -3.656 -1.458 1.00 0.00 H new ATOM 0 HB2 CYS B 108 10.393 -0.789 -1.026 1.00 0.00 H new ATOM 0 HB3 CYS B 108 8.788 -1.291 -1.518 1.00 0.00 H new ATOM 1432 N GLU B 109 11.719 -3.471 -3.210 1.00 0.00 N ATOM 1433 CA GLU B 109 12.307 -3.298 -4.533 1.00 0.00 C ATOM 1434 C GLU B 109 11.247 -3.498 -5.617 1.00 0.00 C ATOM 1435 O GLU B 109 10.685 -2.530 -6.131 1.00 0.00 O ATOM 1436 CB GLU B 109 13.480 -4.273 -4.715 1.00 0.00 C ATOM 1437 CG GLU B 109 14.216 -4.144 -6.043 1.00 0.00 C ATOM 1438 CD GLU B 109 14.787 -2.765 -6.272 1.00 0.00 C ATOM 1439 OE1 GLU B 109 15.565 -2.294 -5.420 1.00 0.00 O ATOM 1440 OE2 GLU B 109 14.464 -2.154 -7.308 1.00 0.00 O ATOM 0 H GLU B 109 12.095 -4.252 -2.673 1.00 0.00 H new ATOM 0 HA GLU B 109 12.690 -2.282 -4.625 1.00 0.00 H new ATOM 0 HB2 GLU B 109 14.192 -4.119 -3.904 1.00 0.00 H new ATOM 0 HB3 GLU B 109 13.105 -5.292 -4.620 1.00 0.00 H new ATOM 0 HG2 GLU B 109 15.024 -4.875 -6.077 1.00 0.00 H new ATOM 0 HG3 GLU B 109 13.532 -4.387 -6.856 1.00 0.00 H new ATOM 1447 N ASP B 110 10.955 -4.749 -5.950 1.00 0.00 N ATOM 1448 CA ASP B 110 9.940 -5.042 -6.954 1.00 0.00 C ATOM 1449 C ASP B 110 8.558 -4.848 -6.344 1.00 0.00 C ATOM 1450 O ASP B 110 7.603 -4.469 -7.022 1.00 0.00 O ATOM 1451 CB ASP B 110 10.097 -6.469 -7.487 1.00 0.00 C ATOM 1452 CG ASP B 110 9.107 -6.791 -8.583 1.00 0.00 C ATOM 1453 OD1 ASP B 110 9.057 -6.048 -9.581 1.00 0.00 O ATOM 1454 OD2 ASP B 110 8.388 -7.800 -8.455 1.00 0.00 O ATOM 0 H ASP B 110 11.402 -5.571 -5.544 1.00 0.00 H new ATOM 0 HA ASP B 110 10.063 -4.358 -7.794 1.00 0.00 H new ATOM 0 HB2 ASP B 110 11.110 -6.602 -7.867 1.00 0.00 H new ATOM 0 HB3 ASP B 110 9.969 -7.176 -6.667 1.00 0.00 H new ATOM 1459 N HIS B 111 8.474 -5.094 -5.042 1.00 0.00 N ATOM 1460 CA HIS B 111 7.229 -4.940 -4.298 1.00 0.00 C ATOM 1461 C HIS B 111 7.030 -3.473 -3.929 1.00 0.00 C ATOM 1462 O HIS B 111 7.166 -3.086 -2.767 1.00 0.00 O ATOM 1463 CB HIS B 111 7.261 -5.782 -3.016 1.00 0.00 C ATOM 1464 CG HIS B 111 8.054 -7.048 -3.132 1.00 0.00 C ATOM 1465 ND1 HIS B 111 7.692 -8.099 -3.943 1.00 0.00 N ATOM 1466 CD2 HIS B 111 9.214 -7.415 -2.541 1.00 0.00 C ATOM 1467 CE1 HIS B 111 8.593 -9.061 -3.840 1.00 0.00 C ATOM 1468 NE2 HIS B 111 9.530 -8.671 -2.995 1.00 0.00 N ATOM 0 H HIS B 111 9.263 -5.404 -4.474 1.00 0.00 H new ATOM 0 HA HIS B 111 6.405 -5.280 -4.926 1.00 0.00 H new ATOM 0 HB2 HIS B 111 7.677 -5.179 -2.209 1.00 0.00 H new ATOM 0 HB3 HIS B 111 6.238 -6.032 -2.733 1.00 0.00 H new ATOM 0 HD2 HIS B 111 9.787 -6.827 -1.840 1.00 0.00 H new ATOM 0 HE1 HIS B 111 8.567 -10.007 -4.360 1.00 0.00 H new ATOM 0 HE2 HIS B 111 10.351 -9.213 -2.725 1.00 0.00 H new ATOM 1476 N CYS B 112 6.731 -2.653 -4.920 1.00 0.00 N ATOM 1477 CA CYS B 112 6.537 -1.230 -4.690 1.00 0.00 C ATOM 1478 C CYS B 112 5.216 -0.777 -5.301 1.00 0.00 C ATOM 1479 O CYS B 112 5.169 -0.306 -6.438 1.00 0.00 O ATOM 1480 CB CYS B 112 7.711 -0.445 -5.281 1.00 0.00 C ATOM 1481 SG CYS B 112 7.843 1.267 -4.678 1.00 0.00 S ATOM 0 H CYS B 112 6.617 -2.945 -5.890 1.00 0.00 H new ATOM 0 HA CYS B 112 6.499 -1.039 -3.618 1.00 0.00 H new ATOM 0 HB2 CYS B 112 8.638 -0.971 -5.052 1.00 0.00 H new ATOM 0 HB3 CYS B 112 7.613 -0.429 -6.367 1.00 0.00 H new ATOM 1486 N HIS B 113 4.138 -0.954 -4.545 1.00 0.00 N ATOM 1487 CA HIS B 113 2.803 -0.601 -5.002 1.00 0.00 C ATOM 1488 C HIS B 113 2.104 0.333 -4.009 1.00 0.00 C ATOM 1489 O HIS B 113 1.544 1.356 -4.402 1.00 0.00 O ATOM 1490 CB HIS B 113 2.023 -1.907 -5.246 1.00 0.00 C ATOM 1491 CG HIS B 113 0.527 -1.808 -5.372 1.00 0.00 C ATOM 1492 ND1 HIS B 113 -0.312 -1.783 -4.281 1.00 0.00 N ATOM 1493 CD2 HIS B 113 -0.280 -1.863 -6.458 1.00 0.00 C ATOM 1494 CE1 HIS B 113 -1.563 -1.847 -4.687 1.00 0.00 C ATOM 1495 NE2 HIS B 113 -1.580 -1.903 -6.007 1.00 0.00 N ATOM 0 H HIS B 113 4.166 -1.344 -3.603 1.00 0.00 H new ATOM 0 HA HIS B 113 2.855 -0.042 -5.936 1.00 0.00 H new ATOM 0 HB2 HIS B 113 2.408 -2.364 -6.158 1.00 0.00 H new ATOM 0 HB3 HIS B 113 2.247 -2.591 -4.428 1.00 0.00 H new ATOM 0 HD2 HIS B 113 0.038 -1.874 -7.490 1.00 0.00 H new ATOM 0 HE1 HIS B 113 -2.432 -1.853 -4.046 1.00 0.00 H new ATOM 0 HE2 HIS B 113 -2.414 -1.965 -6.592 1.00 0.00 H new ATOM 1503 N GLY B 114 2.144 -0.003 -2.723 1.00 0.00 N ATOM 1504 CA GLY B 114 1.505 0.845 -1.730 1.00 0.00 C ATOM 1505 C GLY B 114 2.217 0.845 -0.389 1.00 0.00 C ATOM 1506 O GLY B 114 3.041 -0.028 -0.131 1.00 0.00 O ATOM 0 H GLY B 114 2.601 -0.836 -2.353 1.00 0.00 H new ATOM 0 HA2 GLY B 114 1.461 1.866 -2.109 1.00 0.00 H new ATOM 0 HA3 GLY B 114 0.477 0.513 -1.587 1.00 0.00 H new ATOM 1510 N VAL B 115 1.869 1.839 0.452 1.00 0.00 N ATOM 1511 CA VAL B 115 2.415 2.047 1.814 1.00 0.00 C ATOM 1512 C VAL B 115 3.930 2.311 1.827 1.00 0.00 C ATOM 1513 O VAL B 115 4.395 3.229 2.499 1.00 0.00 O ATOM 1514 CB VAL B 115 2.021 0.906 2.807 1.00 0.00 C ATOM 1515 CG1 VAL B 115 3.015 -0.245 2.827 1.00 0.00 C ATOM 1516 CG2 VAL B 115 1.830 1.464 4.211 1.00 0.00 C ATOM 0 H VAL B 115 1.178 2.544 0.196 1.00 0.00 H new ATOM 0 HA VAL B 115 1.939 2.959 2.173 1.00 0.00 H new ATOM 0 HB VAL B 115 1.078 0.496 2.445 1.00 0.00 H new ATOM 0 HG11 VAL B 115 2.681 -1.002 3.537 1.00 0.00 H new ATOM 0 HG12 VAL B 115 3.082 -0.685 1.832 1.00 0.00 H new ATOM 0 HG13 VAL B 115 3.995 0.126 3.126 1.00 0.00 H new ATOM 0 HG21 VAL B 115 1.556 0.656 4.889 1.00 0.00 H new ATOM 0 HG22 VAL B 115 2.759 1.923 4.550 1.00 0.00 H new ATOM 0 HG23 VAL B 115 1.038 2.213 4.200 1.00 0.00 H new ATOM 1526 N CYS B 116 4.692 1.538 1.075 1.00 0.00 N ATOM 1527 CA CYS B 116 6.128 1.728 1.005 1.00 0.00 C ATOM 1528 C CYS B 116 6.434 2.751 -0.080 1.00 0.00 C ATOM 1529 O CYS B 116 7.396 3.510 0.004 1.00 0.00 O ATOM 1530 CB CYS B 116 6.817 0.399 0.715 1.00 0.00 C ATOM 1531 SG CYS B 116 8.584 0.371 1.143 1.00 0.00 S ATOM 0 H CYS B 116 4.339 0.771 0.503 1.00 0.00 H new ATOM 0 HA CYS B 116 6.505 2.097 1.959 1.00 0.00 H new ATOM 0 HB2 CYS B 116 6.308 -0.390 1.268 1.00 0.00 H new ATOM 0 HB3 CYS B 116 6.707 0.168 -0.345 1.00 0.00 H new ATOM 1536 N LYS B 117 5.571 2.780 -1.091 1.00 0.00 N ATOM 1537 CA LYS B 117 5.686 3.705 -2.188 1.00 0.00 C ATOM 1538 C LYS B 117 4.900 4.979 -1.863 1.00 0.00 C ATOM 1539 O LYS B 117 4.781 5.889 -2.682 1.00 0.00 O ATOM 1540 CB LYS B 117 5.141 3.031 -3.444 1.00 0.00 C ATOM 1541 CG LYS B 117 5.307 3.862 -4.685 1.00 0.00 C ATOM 1542 CD LYS B 117 4.932 3.088 -5.937 1.00 0.00 C ATOM 1543 CE LYS B 117 5.057 3.946 -7.185 1.00 0.00 C ATOM 1544 NZ LYS B 117 4.067 5.058 -7.198 1.00 0.00 N ATOM 0 H LYS B 117 4.770 2.153 -1.162 1.00 0.00 H new ATOM 0 HA LYS B 117 6.727 3.982 -2.354 1.00 0.00 H new ATOM 0 HB2 LYS B 117 5.648 2.076 -3.584 1.00 0.00 H new ATOM 0 HB3 LYS B 117 4.083 2.812 -3.300 1.00 0.00 H new ATOM 0 HG2 LYS B 117 4.686 4.755 -4.610 1.00 0.00 H new ATOM 0 HG3 LYS B 117 6.341 4.198 -4.762 1.00 0.00 H new ATOM 0 HD2 LYS B 117 5.575 2.213 -6.031 1.00 0.00 H new ATOM 0 HD3 LYS B 117 3.909 2.723 -5.847 1.00 0.00 H new ATOM 0 HE2 LYS B 117 6.065 4.357 -7.243 1.00 0.00 H new ATOM 0 HE3 LYS B 117 4.915 3.324 -8.069 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 4.045 5.492 -8.143 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 3.124 4.686 -6.965 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 4.340 5.774 -6.495 1.00 0.00 H new ATOM 1558 N ASP B 118 4.366 5.024 -0.644 1.00 0.00 N ATOM 1559 CA ASP B 118 3.588 6.163 -0.169 1.00 0.00 C ATOM 1560 C ASP B 118 4.460 7.420 -0.120 1.00 0.00 C ATOM 1561 O ASP B 118 3.984 8.531 -0.357 1.00 0.00 O ATOM 1562 CB ASP B 118 3.010 5.844 1.218 1.00 0.00 C ATOM 1563 CG ASP B 118 1.957 6.828 1.674 1.00 0.00 C ATOM 1564 OD1 ASP B 118 1.548 7.692 0.876 1.00 0.00 O ATOM 1565 OD2 ASP B 118 1.517 6.722 2.835 1.00 0.00 O ATOM 0 H ASP B 118 4.461 4.273 0.040 1.00 0.00 H new ATOM 0 HA ASP B 118 2.765 6.352 -0.859 1.00 0.00 H new ATOM 0 HB2 ASP B 118 2.578 4.843 1.201 1.00 0.00 H new ATOM 0 HB3 ASP B 118 3.821 5.829 1.946 1.00 0.00 H new ATOM 1570 N LEU B 119 5.745 7.238 0.163 1.00 0.00 N ATOM 1571 CA LEU B 119 6.675 8.354 0.214 1.00 0.00 C ATOM 1572 C LEU B 119 7.680 8.236 -0.935 1.00 0.00 C ATOM 1573 O LEU B 119 7.300 8.313 -2.103 1.00 0.00 O ATOM 1574 CB LEU B 119 7.384 8.390 1.579 1.00 0.00 C ATOM 1575 CG LEU B 119 8.237 9.635 1.857 1.00 0.00 C ATOM 1576 CD1 LEU B 119 7.418 10.905 1.693 1.00 0.00 C ATOM 1577 CD2 LEU B 119 8.830 9.565 3.254 1.00 0.00 C ATOM 0 H LEU B 119 6.163 6.329 0.360 1.00 0.00 H new ATOM 0 HA LEU B 119 6.130 9.291 0.098 1.00 0.00 H new ATOM 0 HB2 LEU B 119 6.629 8.308 2.361 1.00 0.00 H new ATOM 0 HB3 LEU B 119 8.023 7.510 1.659 1.00 0.00 H new ATOM 0 HG LEU B 119 9.049 9.660 1.130 1.00 0.00 H new ATOM 0 HD11 LEU B 119 8.047 11.772 1.896 1.00 0.00 H new ATOM 0 HD12 LEU B 119 7.037 10.963 0.673 1.00 0.00 H new ATOM 0 HD13 LEU B 119 6.582 10.892 2.392 1.00 0.00 H new ATOM 0 HD21 LEU B 119 9.433 10.454 3.438 1.00 0.00 H new ATOM 0 HD22 LEU B 119 8.026 9.513 3.988 1.00 0.00 H new ATOM 0 HD23 LEU B 119 9.457 8.678 3.339 1.00 0.00 H new ATOM 1589 N HIS B 120 8.949 8.032 -0.598 1.00 0.00 N ATOM 1590 CA HIS B 120 10.010 7.891 -1.592 1.00 0.00 C ATOM 1591 C HIS B 120 11.000 6.825 -1.142 1.00 0.00 C ATOM 1592 O HIS B 120 12.183 7.107 -0.949 1.00 0.00 O ATOM 1593 CB HIS B 120 10.759 9.219 -1.798 1.00 0.00 C ATOM 1594 CG HIS B 120 9.909 10.339 -2.314 1.00 0.00 C ATOM 1595 ND1 HIS B 120 9.202 10.267 -3.494 1.00 0.00 N ATOM 1596 CD2 HIS B 120 9.663 11.570 -1.807 1.00 0.00 C ATOM 1597 CE1 HIS B 120 8.558 11.401 -3.694 1.00 0.00 C ATOM 1598 NE2 HIS B 120 8.820 12.210 -2.683 1.00 0.00 N ATOM 0 H HIS B 120 9.271 7.960 0.367 1.00 0.00 H new ATOM 0 HA HIS B 120 9.550 7.600 -2.536 1.00 0.00 H new ATOM 0 HB2 HIS B 120 11.201 9.523 -0.849 1.00 0.00 H new ATOM 0 HB3 HIS B 120 11.581 9.053 -2.494 1.00 0.00 H new ATOM 0 HD2 HIS B 120 10.056 11.974 -0.886 1.00 0.00 H new ATOM 0 HE1 HIS B 120 7.925 11.629 -4.539 1.00 0.00 H new ATOM 0 HE2 HIS B 120 8.456 13.156 -2.571 1.00 0.00 H new ATOM 1606 N LEU B 121 10.509 5.609 -0.945 1.00 0.00 N ATOM 1607 CA LEU B 121 11.352 4.517 -0.482 1.00 0.00 C ATOM 1608 C LEU B 121 11.804 3.608 -1.628 1.00 0.00 C ATOM 1609 O LEU B 121 12.929 3.112 -1.618 1.00 0.00 O ATOM 1610 CB LEU B 121 10.612 3.712 0.587 1.00 0.00 C ATOM 1611 CG LEU B 121 10.183 4.524 1.816 1.00 0.00 C ATOM 1612 CD1 LEU B 121 9.381 3.665 2.780 1.00 0.00 C ATOM 1613 CD2 LEU B 121 11.398 5.117 2.515 1.00 0.00 C ATOM 0 H LEU B 121 9.533 5.355 -1.098 1.00 0.00 H new ATOM 0 HA LEU B 121 12.254 4.951 -0.050 1.00 0.00 H new ATOM 0 HB2 LEU B 121 9.726 3.264 0.137 1.00 0.00 H new ATOM 0 HB3 LEU B 121 11.252 2.893 0.915 1.00 0.00 H new ATOM 0 HG LEU B 121 9.545 5.341 1.477 1.00 0.00 H new ATOM 0 HD11 LEU B 121 9.088 4.263 3.643 1.00 0.00 H new ATOM 0 HD12 LEU B 121 8.489 3.291 2.278 1.00 0.00 H new ATOM 0 HD13 LEU B 121 9.990 2.824 3.111 1.00 0.00 H new ATOM 0 HD21 LEU B 121 11.074 5.690 3.384 1.00 0.00 H new ATOM 0 HD22 LEU B 121 12.061 4.314 2.836 1.00 0.00 H new ATOM 0 HD23 LEU B 121 11.930 5.773 1.826 1.00 0.00 H new ATOM 1625 N CYS B 122 10.936 3.398 -2.610 1.00 0.00 N ATOM 1626 CA CYS B 122 11.268 2.559 -3.760 1.00 0.00 C ATOM 1627 C CYS B 122 10.742 3.188 -5.041 1.00 0.00 C ATOM 1628 O CYS B 122 9.685 3.843 -4.987 1.00 0.00 O ATOM 1629 CB CYS B 122 10.695 1.146 -3.597 1.00 0.00 C ATOM 1630 SG CYS B 122 8.969 1.108 -2.994 1.00 0.00 S ATOM 1631 OXT CYS B 122 11.397 3.037 -6.089 1.00 0.00 O ATOM 0 H CYS B 122 9.997 3.796 -2.635 1.00 0.00 H new ATOM 0 HA CYS B 122 12.354 2.483 -3.818 1.00 0.00 H new ATOM 0 HB2 CYS B 122 10.745 0.632 -4.557 1.00 0.00 H new ATOM 0 HB3 CYS B 122 11.324 0.588 -2.903 1.00 0.00 H new