USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=6 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 117:sc= 1.03 USER MOD Single : A 44 SER OG : rot 180:sc= 0.0843 USER MOD Single : A 50 HIS :FLIP no HE2:sc= -0.799 F(o=-1.5,f=-0.8) USER MOD Single : A 52 HIS : no HD1:sc= -5.99! C(o=-6!,f=-7.9!) 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) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 CYS SG : rot 180:sc= 0 USER MOD Single : B 105 SER OG : rot 180:sc= 0.0193 USER MOD Single : B 111 HIS :FLIP no HE2:sc= 0.936 F(o=-2.9!,f=0.94) USER MOD Single : B 113 HIS : no HD1:sc= -8.76! C(o=-8.8!,f=-13!) USER MOD Single : B 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 120 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 185 N CYS A 13 -17.673 -6.445 -4.480 1.00 0.00 N ATOM 186 CA CYS A 13 -16.603 -5.480 -4.158 1.00 0.00 C ATOM 187 C CYS A 13 -15.403 -5.549 -5.098 1.00 0.00 C ATOM 188 O CYS A 13 -14.371 -4.932 -4.828 1.00 0.00 O ATOM 189 CB CYS A 13 -16.124 -5.559 -2.704 1.00 0.00 C ATOM 190 SG CYS A 13 -15.589 -7.192 -2.107 1.00 0.00 S ATOM 0 HA CYS A 13 -17.085 -4.514 -4.305 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -15.294 -4.863 -2.581 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -16.931 -5.209 -2.060 1.00 0.00 H new ATOM 195 N ALA A 14 -15.546 -6.255 -6.211 1.00 0.00 N ATOM 196 CA ALA A 14 -14.488 -6.356 -7.192 1.00 0.00 C ATOM 197 C ALA A 14 -14.608 -5.188 -8.142 1.00 0.00 C ATOM 198 O ALA A 14 -15.519 -4.372 -7.988 1.00 0.00 O ATOM 199 CB ALA A 14 -14.577 -7.681 -7.941 1.00 0.00 C ATOM 0 H ALA A 14 -16.394 -6.768 -6.453 1.00 0.00 H new ATOM 0 HA ALA A 14 -13.517 -6.327 -6.698 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.773 -7.739 -8.675 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.483 -8.505 -7.234 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -15.538 -7.747 -8.450 1.00 0.00 H new ATOM 205 N ALA A 15 -13.686 -5.094 -9.098 1.00 0.00 N ATOM 206 CA ALA A 15 -13.661 -3.994 -10.067 1.00 0.00 C ATOM 207 C ALA A 15 -13.211 -2.706 -9.388 1.00 0.00 C ATOM 208 O ALA A 15 -12.297 -2.036 -9.857 1.00 0.00 O ATOM 209 CB ALA A 15 -15.009 -3.806 -10.753 1.00 0.00 C ATOM 0 H ALA A 15 -12.937 -5.774 -9.225 1.00 0.00 H new ATOM 0 HA ALA A 15 -12.943 -4.253 -10.845 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.944 -2.981 -11.462 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.278 -4.720 -11.283 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.770 -3.583 -10.005 1.00 0.00 H new ATOM 215 N ALA A 16 -13.841 -2.379 -8.261 1.00 0.00 N ATOM 216 CA ALA A 16 -13.489 -1.199 -7.489 1.00 0.00 C ATOM 217 C ALA A 16 -12.131 -1.400 -6.835 1.00 0.00 C ATOM 218 O ALA A 16 -11.353 -0.461 -6.696 1.00 0.00 O ATOM 219 CB ALA A 16 -14.548 -0.919 -6.432 1.00 0.00 C ATOM 0 H ALA A 16 -14.605 -2.924 -7.863 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.438 -0.341 -8.159 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.269 -0.032 -5.863 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.510 -0.751 -6.916 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.625 -1.773 -5.759 1.00 0.00 H new ATOM 225 N ILE A 17 -11.841 -2.641 -6.443 1.00 0.00 N ATOM 226 CA ILE A 17 -10.565 -2.943 -5.818 1.00 0.00 C ATOM 227 C ILE A 17 -9.530 -3.313 -6.867 1.00 0.00 C ATOM 228 O ILE A 17 -8.483 -2.680 -6.974 1.00 0.00 O ATOM 229 CB ILE A 17 -10.667 -4.066 -4.746 1.00 0.00 C ATOM 230 CG1 ILE A 17 -9.271 -4.358 -4.186 1.00 0.00 C ATOM 231 CG2 ILE A 17 -11.338 -5.332 -5.257 1.00 0.00 C ATOM 232 CD1 ILE A 17 -8.670 -3.168 -3.477 1.00 0.00 C ATOM 0 H ILE A 17 -12.467 -3.440 -6.548 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.250 -2.036 -5.301 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.315 -3.702 -3.948 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.330 -5.198 -3.493 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.613 -4.662 -5.000 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -11.375 -6.072 -4.458 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -12.352 -5.100 -5.584 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -10.769 -5.732 -6.096 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.681 -3.430 -3.100 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.583 -2.335 -4.174 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.311 -2.879 -2.644 1.00 0.00 H new ATOM 244 N ALA A 18 -9.844 -4.346 -7.628 1.00 0.00 N ATOM 245 CA ALA A 18 -8.965 -4.845 -8.688 1.00 0.00 C ATOM 246 C ALA A 18 -8.583 -3.747 -9.680 1.00 0.00 C ATOM 247 O ALA A 18 -7.470 -3.740 -10.208 1.00 0.00 O ATOM 248 CB ALA A 18 -9.624 -6.004 -9.423 1.00 0.00 C ATOM 0 H ALA A 18 -10.715 -4.868 -7.534 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.049 -5.193 -8.211 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.958 -6.363 -10.207 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -9.826 -6.812 -8.720 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -10.560 -5.667 -9.868 1.00 0.00 H new ATOM 254 N GLY A 19 -9.502 -2.818 -9.932 1.00 0.00 N ATOM 255 CA GLY A 19 -9.226 -1.736 -10.858 1.00 0.00 C ATOM 256 C GLY A 19 -8.413 -0.631 -10.221 1.00 0.00 C ATOM 257 O GLY A 19 -7.661 0.068 -10.901 1.00 0.00 O ATOM 0 H GLY A 19 -10.431 -2.796 -9.511 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.689 -2.128 -11.722 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.167 -1.326 -11.226 1.00 0.00 H new ATOM 261 N ALA A 20 -8.552 -0.479 -8.908 1.00 0.00 N ATOM 262 CA ALA A 20 -7.818 0.542 -8.175 1.00 0.00 C ATOM 263 C ALA A 20 -6.365 0.128 -7.977 1.00 0.00 C ATOM 264 O ALA A 20 -5.510 0.956 -7.657 1.00 0.00 O ATOM 265 CB ALA A 20 -8.477 0.822 -6.834 1.00 0.00 C ATOM 0 H ALA A 20 -9.168 -1.052 -8.331 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.836 1.458 -8.765 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.911 1.588 -6.304 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.497 1.171 -6.996 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.496 -0.092 -6.240 1.00 0.00 H new ATOM 271 N VAL A 21 -6.093 -1.157 -8.183 1.00 0.00 N ATOM 272 CA VAL A 21 -4.759 -1.699 -8.052 1.00 0.00 C ATOM 273 C VAL A 21 -3.823 -1.075 -9.090 1.00 0.00 C ATOM 274 O VAL A 21 -2.672 -0.748 -8.792 1.00 0.00 O ATOM 275 CB VAL A 21 -4.802 -3.235 -8.220 1.00 0.00 C ATOM 276 CG1 VAL A 21 -3.411 -3.818 -8.296 1.00 0.00 C ATOM 277 CG2 VAL A 21 -5.575 -3.880 -7.077 1.00 0.00 C ATOM 0 H VAL A 21 -6.797 -1.847 -8.445 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.376 -1.460 -7.060 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.314 -3.449 -9.158 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.476 -4.900 -8.414 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.884 -3.391 -9.149 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.868 -3.585 -7.380 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.593 -4.961 -7.215 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.090 -3.643 -6.130 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.596 -3.498 -7.067 1.00 0.00 H new ATOM 287 N ALA A 22 -4.336 -0.899 -10.306 1.00 0.00 N ATOM 288 CA ALA A 22 -3.568 -0.310 -11.398 1.00 0.00 C ATOM 289 C ALA A 22 -3.318 1.180 -11.179 1.00 0.00 C ATOM 290 O ALA A 22 -2.431 1.763 -11.797 1.00 0.00 O ATOM 291 CB ALA A 22 -4.286 -0.533 -12.718 1.00 0.00 C ATOM 0 H ALA A 22 -5.289 -1.159 -10.560 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.597 -0.805 -11.425 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.706 -0.090 -13.527 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.398 -1.603 -12.895 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.270 -0.066 -12.680 1.00 0.00 H new ATOM 297 N ALA A 23 -4.108 1.793 -10.304 1.00 0.00 N ATOM 298 CA ALA A 23 -3.972 3.215 -10.012 1.00 0.00 C ATOM 299 C ALA A 23 -2.719 3.498 -9.190 1.00 0.00 C ATOM 300 O ALA A 23 -2.077 4.538 -9.354 1.00 0.00 O ATOM 301 CB ALA A 23 -5.206 3.728 -9.284 1.00 0.00 C ATOM 0 H ALA A 23 -4.851 1.326 -9.784 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.876 3.741 -10.962 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.089 4.791 -9.073 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.086 3.577 -9.909 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.328 3.184 -8.347 1.00 0.00 H new ATOM 307 N CYS A 24 -2.381 2.574 -8.298 1.00 0.00 N ATOM 308 CA CYS A 24 -1.207 2.728 -7.446 1.00 0.00 C ATOM 309 C CYS A 24 -0.015 1.938 -7.980 1.00 0.00 C ATOM 310 O CYS A 24 1.134 2.317 -7.764 1.00 0.00 O ATOM 311 CB CYS A 24 -1.524 2.293 -6.014 1.00 0.00 C ATOM 312 SG CYS A 24 -2.816 3.284 -5.194 1.00 0.00 S ATOM 0 H CYS A 24 -2.903 1.711 -8.146 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.938 3.784 -7.449 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.837 1.249 -6.025 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -0.611 2.346 -5.421 1.00 0.00 H new ATOM 317 N GLY A 25 -0.287 0.834 -8.674 1.00 0.00 N ATOM 318 CA GLY A 25 0.788 0.020 -9.216 1.00 0.00 C ATOM 319 C GLY A 25 1.169 -1.116 -8.291 1.00 0.00 C ATOM 320 O GLY A 25 2.147 -1.023 -7.548 1.00 0.00 O ATOM 0 H GLY A 25 -1.227 0.491 -8.869 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.483 -0.386 -10.180 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.661 0.648 -9.396 1.00 0.00 H new ATOM 324 N GLY A 26 0.388 -2.186 -8.320 1.00 0.00 N ATOM 325 CA GLY A 26 0.651 -3.327 -7.463 1.00 0.00 C ATOM 326 C GLY A 26 -0.433 -3.495 -6.423 1.00 0.00 C ATOM 327 O GLY A 26 -1.239 -2.586 -6.214 1.00 0.00 O ATOM 0 H GLY A 26 -0.427 -2.286 -8.925 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.720 -4.231 -8.068 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.615 -3.199 -6.970 1.00 0.00 H new ATOM 331 N ILE A 27 -0.474 -4.641 -5.764 1.00 0.00 N ATOM 332 CA ILE A 27 -1.493 -4.880 -4.754 1.00 0.00 C ATOM 333 C ILE A 27 -0.902 -4.805 -3.336 1.00 0.00 C ATOM 334 O ILE A 27 -0.338 -5.767 -2.814 1.00 0.00 O ATOM 335 CB ILE A 27 -2.235 -6.229 -5.021 1.00 0.00 C ATOM 336 CG1 ILE A 27 -3.389 -6.470 -4.026 1.00 0.00 C ATOM 337 CG2 ILE A 27 -1.271 -7.407 -5.018 1.00 0.00 C ATOM 338 CD1 ILE A 27 -2.992 -7.215 -2.764 1.00 0.00 C ATOM 0 H ILE A 27 0.178 -5.413 -5.907 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.237 -4.087 -4.823 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.673 -6.148 -6.016 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.815 -5.507 -3.745 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.175 -7.031 -4.531 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.822 -8.328 -5.207 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.522 -7.266 -5.797 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.778 -7.471 -4.048 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.866 -7.339 -2.124 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.595 -8.195 -3.030 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.230 -6.647 -2.231 1.00 0.00 H new ATOM 350 N ASP A 28 -1.048 -3.640 -2.714 1.00 0.00 N ATOM 351 CA ASP A 28 -0.557 -3.431 -1.356 1.00 0.00 C ATOM 352 C ASP A 28 -1.751 -3.167 -0.450 1.00 0.00 C ATOM 353 O ASP A 28 -2.514 -4.082 -0.149 1.00 0.00 O ATOM 354 CB ASP A 28 0.440 -2.259 -1.267 1.00 0.00 C ATOM 355 CG ASP A 28 1.713 -2.470 -2.067 1.00 0.00 C ATOM 356 OD1 ASP A 28 1.834 -3.510 -2.744 1.00 0.00 O ATOM 357 OD2 ASP A 28 2.591 -1.585 -2.023 1.00 0.00 O ATOM 0 H ASP A 28 -1.502 -2.826 -3.128 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.020 -4.326 -1.042 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.051 -1.351 -1.617 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.703 -2.097 -0.222 1.00 0.00 H new ATOM 362 N LEU A 29 -1.930 -1.908 -0.047 1.00 0.00 N ATOM 363 CA LEU A 29 -3.057 -1.524 0.803 1.00 0.00 C ATOM 364 C LEU A 29 -3.073 -0.016 1.086 1.00 0.00 C ATOM 365 O LEU A 29 -4.095 0.631 0.870 1.00 0.00 O ATOM 366 CB LEU A 29 -3.053 -2.303 2.128 1.00 0.00 C ATOM 367 CG LEU A 29 -4.186 -1.952 3.102 1.00 0.00 C ATOM 368 CD1 LEU A 29 -5.548 -2.217 2.470 1.00 0.00 C ATOM 369 CD2 LEU A 29 -4.040 -2.748 4.389 1.00 0.00 C ATOM 0 H LEU A 29 -1.309 -1.138 -0.296 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.962 -1.777 0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.107 -3.368 1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.100 -2.130 2.628 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.118 -0.889 3.334 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.335 -1.961 3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.657 -1.609 1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.628 -3.271 2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.850 -2.489 5.071 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.081 -3.814 4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.084 -2.512 4.856 1.00 0.00 H new ATOM 381 N PRO A 30 -1.957 0.572 1.599 1.00 0.00 N ATOM 382 CA PRO A 30 -1.889 2.010 1.940 1.00 0.00 C ATOM 383 C PRO A 30 -1.873 2.951 0.734 1.00 0.00 C ATOM 384 O PRO A 30 -1.057 3.869 0.666 1.00 0.00 O ATOM 385 CB PRO A 30 -0.575 2.141 2.725 1.00 0.00 C ATOM 386 CG PRO A 30 -0.161 0.744 3.046 1.00 0.00 C ATOM 387 CD PRO A 30 -0.689 -0.099 1.928 1.00 0.00 C ATOM 0 HA PRO A 30 -2.781 2.305 2.493 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.186 2.650 2.134 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.717 2.727 3.633 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.924 0.664 3.119 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.570 0.424 4.005 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -0.007 -0.119 1.078 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -0.844 -1.133 2.237 1.00 0.00 H new ATOM 395 N CYS A 31 -2.796 2.738 -0.186 1.00 0.00 N ATOM 396 CA CYS A 31 -2.925 3.571 -1.369 1.00 0.00 C ATOM 397 C CYS A 31 -4.235 3.253 -2.065 1.00 0.00 C ATOM 398 O CYS A 31 -5.016 4.144 -2.402 1.00 0.00 O ATOM 399 CB CYS A 31 -1.757 3.346 -2.330 1.00 0.00 C ATOM 400 SG CYS A 31 -1.798 4.393 -3.827 1.00 0.00 S ATOM 0 H CYS A 31 -3.479 1.982 -0.135 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.913 4.617 -1.062 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -0.824 3.531 -1.798 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.749 2.299 -2.634 1.00 0.00 H new ATOM 405 N VAL A 32 -4.465 1.962 -2.268 1.00 0.00 N ATOM 406 CA VAL A 32 -5.661 1.478 -2.909 1.00 0.00 C ATOM 407 C VAL A 32 -6.861 1.588 -1.967 1.00 0.00 C ATOM 408 O VAL A 32 -7.992 1.765 -2.410 1.00 0.00 O ATOM 409 CB VAL A 32 -5.461 0.010 -3.331 1.00 0.00 C ATOM 410 CG1 VAL A 32 -6.619 -0.465 -4.170 1.00 0.00 C ATOM 411 CG2 VAL A 32 -4.151 -0.166 -4.086 1.00 0.00 C ATOM 0 H VAL A 32 -3.818 1.225 -1.988 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.858 2.089 -3.790 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.417 -0.596 -2.426 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.458 -1.504 -4.458 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.541 -0.386 -3.595 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.696 0.151 -5.066 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.034 -1.211 -4.373 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.160 0.457 -4.981 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.320 0.130 -3.446 1.00 0.00 H new ATOM 421 N LEU A 33 -6.594 1.485 -0.665 1.00 0.00 N ATOM 422 CA LEU A 33 -7.636 1.569 0.357 1.00 0.00 C ATOM 423 C LEU A 33 -8.429 2.869 0.229 1.00 0.00 C ATOM 424 O LEU A 33 -9.657 2.867 0.296 1.00 0.00 O ATOM 425 CB LEU A 33 -7.001 1.468 1.752 1.00 0.00 C ATOM 426 CG LEU A 33 -7.960 1.199 2.924 1.00 0.00 C ATOM 427 CD1 LEU A 33 -8.672 2.470 3.367 1.00 0.00 C ATOM 428 CD2 LEU A 33 -8.971 0.131 2.542 1.00 0.00 C ATOM 0 H LEU A 33 -5.656 1.342 -0.291 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.328 0.739 0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.256 0.673 1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.469 2.398 1.953 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.367 0.842 3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.341 2.242 4.197 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.935 3.207 3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.250 2.872 2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.644 -0.050 3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.548 0.467 1.680 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.448 -0.792 2.291 1.00 0.00 H new ATOM 440 N ALA A 34 -7.718 3.979 0.049 1.00 0.00 N ATOM 441 CA ALA A 34 -8.353 5.289 -0.076 1.00 0.00 C ATOM 442 C ALA A 34 -9.100 5.460 -1.400 1.00 0.00 C ATOM 443 O ALA A 34 -9.631 6.536 -1.679 1.00 0.00 O ATOM 444 CB ALA A 34 -7.315 6.390 0.083 1.00 0.00 C ATOM 0 H ALA A 34 -6.700 3.998 -0.014 1.00 0.00 H new ATOM 0 HA ALA A 34 -9.094 5.361 0.720 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.798 7.362 -0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.848 6.311 1.065 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.554 6.287 -0.690 1.00 0.00 H new ATOM 450 N ALA A 35 -9.149 4.412 -2.208 1.00 0.00 N ATOM 451 CA ALA A 35 -9.841 4.480 -3.487 1.00 0.00 C ATOM 452 C ALA A 35 -11.212 3.818 -3.409 1.00 0.00 C ATOM 453 O ALA A 35 -12.176 4.302 -3.999 1.00 0.00 O ATOM 454 CB ALA A 35 -9.003 3.841 -4.584 1.00 0.00 C ATOM 0 H ALA A 35 -8.721 3.509 -2.003 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.989 5.532 -3.731 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -9.537 3.902 -5.532 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.052 4.367 -4.669 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.818 2.795 -4.338 1.00 0.00 H new ATOM 460 N LEU A 36 -11.301 2.707 -2.687 1.00 0.00 N ATOM 461 CA LEU A 36 -12.569 1.997 -2.562 1.00 0.00 C ATOM 462 C LEU A 36 -13.205 2.227 -1.194 1.00 0.00 C ATOM 463 O LEU A 36 -14.216 1.599 -0.866 1.00 0.00 O ATOM 464 CB LEU A 36 -12.385 0.488 -2.799 1.00 0.00 C ATOM 465 CG LEU A 36 -11.793 -0.311 -1.627 1.00 0.00 C ATOM 466 CD1 LEU A 36 -11.993 -1.798 -1.841 1.00 0.00 C ATOM 467 CD2 LEU A 36 -10.314 -0.026 -1.453 1.00 0.00 C ATOM 0 H LEU A 36 -10.521 2.282 -2.185 1.00 0.00 H new ATOM 0 HA LEU A 36 -13.235 2.397 -3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -13.355 0.059 -3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.740 0.353 -3.667 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.317 0.002 -0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -11.567 -2.347 -1.001 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.059 -2.015 -1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.497 -2.103 -2.762 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.927 -0.607 -0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.781 -0.302 -2.363 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -10.169 1.036 -1.255 1.00 0.00 H new ATOM 479 N LYS A 37 -12.609 3.112 -0.391 1.00 0.00 N ATOM 480 CA LYS A 37 -13.123 3.392 0.938 1.00 0.00 C ATOM 481 C LYS A 37 -14.525 3.989 0.884 1.00 0.00 C ATOM 482 O LYS A 37 -15.401 3.536 1.612 1.00 0.00 O ATOM 483 CB LYS A 37 -12.172 4.313 1.713 1.00 0.00 C ATOM 484 CG LYS A 37 -11.933 5.674 1.072 1.00 0.00 C ATOM 485 CD LYS A 37 -11.086 6.578 1.960 1.00 0.00 C ATOM 486 CE LYS A 37 -11.822 6.991 3.230 1.00 0.00 C ATOM 487 NZ LYS A 37 -10.973 7.837 4.121 1.00 0.00 N ATOM 0 H LYS A 37 -11.774 3.641 -0.643 1.00 0.00 H new ATOM 0 HA LYS A 37 -13.188 2.442 1.468 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.573 4.465 2.715 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.213 3.808 1.827 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.437 5.541 0.111 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.891 6.155 0.872 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.164 6.061 2.228 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.801 7.469 1.401 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.725 7.539 2.963 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.139 6.099 3.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -11.512 8.095 4.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.123 7.305 4.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.692 8.701 3.615 1.00 0.00 H new ATOM 501 N ALA A 38 -14.719 5.000 0.021 1.00 0.00 N ATOM 502 CA ALA A 38 -16.014 5.675 -0.137 1.00 0.00 C ATOM 503 C ALA A 38 -16.641 5.993 1.221 1.00 0.00 C ATOM 504 O ALA A 38 -16.227 6.937 1.898 1.00 0.00 O ATOM 505 CB ALA A 38 -16.954 4.833 -0.992 1.00 0.00 C ATOM 0 H ALA A 38 -13.985 5.370 -0.583 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.843 6.622 -0.649 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -17.909 5.348 -1.099 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.512 4.681 -1.977 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -17.115 3.867 -0.513 1.00 0.00 H new ATOM 511 N ALA A 39 -17.609 5.180 1.628 1.00 0.00 N ATOM 512 CA ALA A 39 -18.259 5.347 2.917 1.00 0.00 C ATOM 513 C ALA A 39 -17.649 4.373 3.922 1.00 0.00 C ATOM 514 O ALA A 39 -16.511 4.560 4.356 1.00 0.00 O ATOM 515 CB ALA A 39 -19.763 5.139 2.793 1.00 0.00 C ATOM 0 H ALA A 39 -17.961 4.396 1.079 1.00 0.00 H new ATOM 0 HA ALA A 39 -18.098 6.365 3.272 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -20.230 5.269 3.769 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -20.175 5.867 2.094 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -19.962 4.132 2.426 1.00 0.00 H new ATOM 521 N GLU A 40 -18.391 3.323 4.272 1.00 0.00 N ATOM 522 CA GLU A 40 -17.900 2.311 5.205 1.00 0.00 C ATOM 523 C GLU A 40 -18.435 0.933 4.832 1.00 0.00 C ATOM 524 O GLU A 40 -19.492 0.814 4.212 1.00 0.00 O ATOM 525 CB GLU A 40 -18.304 2.628 6.651 1.00 0.00 C ATOM 526 CG GLU A 40 -17.768 3.946 7.180 1.00 0.00 C ATOM 527 CD GLU A 40 -17.822 4.023 8.686 1.00 0.00 C ATOM 528 OE1 GLU A 40 -18.886 3.726 9.260 1.00 0.00 O ATOM 529 OE2 GLU A 40 -16.803 4.393 9.297 1.00 0.00 O ATOM 0 H GLU A 40 -19.334 3.151 3.923 1.00 0.00 H new ATOM 0 HA GLU A 40 -16.812 2.317 5.137 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -19.392 2.640 6.716 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -17.955 1.823 7.297 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -16.738 4.076 6.848 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -18.346 4.767 6.755 1.00 0.00 H new ATOM 536 N GLY A 41 -17.707 -0.104 5.233 1.00 0.00 N ATOM 537 CA GLY A 41 -18.126 -1.468 4.955 1.00 0.00 C ATOM 538 C GLY A 41 -18.002 -1.853 3.494 1.00 0.00 C ATOM 539 O GLY A 41 -18.853 -2.563 2.962 1.00 0.00 O ATOM 0 H GLY A 41 -16.830 -0.025 5.748 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -17.527 -2.153 5.555 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -19.162 -1.592 5.269 1.00 0.00 H new ATOM 543 N CYS A 42 -16.950 -1.389 2.835 1.00 0.00 N ATOM 544 CA CYS A 42 -16.750 -1.701 1.424 1.00 0.00 C ATOM 545 C CYS A 42 -15.374 -2.307 1.164 1.00 0.00 C ATOM 546 O CYS A 42 -15.143 -2.907 0.116 1.00 0.00 O ATOM 547 CB CYS A 42 -16.950 -0.442 0.575 1.00 0.00 C ATOM 548 SG CYS A 42 -17.114 1.088 1.556 1.00 0.00 S ATOM 0 H CYS A 42 -16.227 -0.800 3.248 1.00 0.00 H new ATOM 0 HA CYS A 42 -17.492 -2.448 1.140 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -16.106 -0.337 -0.107 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -17.842 -0.567 -0.039 1.00 0.00 H new ATOM 0 HG CYS A 42 -16.128 1.888 1.280 1.00 0.00 H new ATOM 553 N ALA A 43 -14.461 -2.158 2.119 1.00 0.00 N ATOM 554 CA ALA A 43 -13.113 -2.704 1.973 1.00 0.00 C ATOM 555 C ALA A 43 -12.895 -3.890 2.908 1.00 0.00 C ATOM 556 O ALA A 43 -11.762 -4.309 3.145 1.00 0.00 O ATOM 557 CB ALA A 43 -12.073 -1.626 2.237 1.00 0.00 C ATOM 0 H ALA A 43 -14.627 -1.667 2.998 1.00 0.00 H new ATOM 0 HA ALA A 43 -13.002 -3.057 0.948 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.074 -2.048 2.124 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.205 -0.811 1.525 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.193 -1.245 3.251 1.00 0.00 H new ATOM 563 N SER A 44 -13.988 -4.422 3.434 1.00 0.00 N ATOM 564 CA SER A 44 -13.945 -5.558 4.349 1.00 0.00 C ATOM 565 C SER A 44 -13.450 -6.825 3.654 1.00 0.00 C ATOM 566 O SER A 44 -12.504 -7.463 4.113 1.00 0.00 O ATOM 567 CB SER A 44 -15.340 -5.779 4.919 1.00 0.00 C ATOM 568 OG SER A 44 -16.320 -5.537 3.919 1.00 0.00 O ATOM 0 H SER A 44 -14.930 -4.081 3.240 1.00 0.00 H new ATOM 0 HA SER A 44 -13.241 -5.336 5.151 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.432 -6.800 5.290 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.504 -5.115 5.768 1.00 0.00 H new ATOM 0 HG SER A 44 -17.213 -5.683 4.294 1.00 0.00 H new ATOM 574 N CYS A 45 -14.101 -7.168 2.545 1.00 0.00 N ATOM 575 CA CYS A 45 -13.749 -8.355 1.755 1.00 0.00 C ATOM 576 C CYS A 45 -12.287 -8.344 1.345 1.00 0.00 C ATOM 577 O CYS A 45 -11.595 -9.355 1.430 1.00 0.00 O ATOM 578 CB CYS A 45 -14.614 -8.410 0.499 1.00 0.00 C ATOM 579 SG CYS A 45 -14.878 -6.776 -0.258 1.00 0.00 S ATOM 0 H CYS A 45 -14.885 -6.636 2.166 1.00 0.00 H new ATOM 0 HA CYS A 45 -13.925 -9.231 2.379 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -14.144 -9.070 -0.230 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -15.580 -8.848 0.749 1.00 0.00 H new ATOM 584 N PHE A 46 -11.833 -7.193 0.882 1.00 0.00 N ATOM 585 CA PHE A 46 -10.461 -7.026 0.439 1.00 0.00 C ATOM 586 C PHE A 46 -9.474 -7.233 1.581 1.00 0.00 C ATOM 587 O PHE A 46 -8.448 -7.885 1.417 1.00 0.00 O ATOM 588 CB PHE A 46 -10.281 -5.620 -0.135 1.00 0.00 C ATOM 589 CG PHE A 46 -8.870 -5.303 -0.517 1.00 0.00 C ATOM 590 CD1 PHE A 46 -8.262 -5.961 -1.568 1.00 0.00 C ATOM 591 CD2 PHE A 46 -8.153 -4.342 0.174 1.00 0.00 C ATOM 592 CE1 PHE A 46 -6.964 -5.669 -1.924 1.00 0.00 C ATOM 593 CE2 PHE A 46 -6.853 -4.045 -0.174 1.00 0.00 C ATOM 594 CZ PHE A 46 -6.254 -4.706 -1.225 1.00 0.00 C ATOM 0 H PHE A 46 -12.403 -6.351 0.803 1.00 0.00 H new ATOM 0 HA PHE A 46 -10.259 -7.777 -0.325 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -10.919 -5.511 -1.012 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.622 -4.891 0.600 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -8.810 -6.713 -2.117 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -8.618 -3.818 0.996 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.500 -6.191 -2.748 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.304 -3.295 0.376 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.236 -4.474 -1.502 1.00 0.00 H new ATOM 604 N CYS A 47 -9.776 -6.633 2.718 1.00 0.00 N ATOM 605 CA CYS A 47 -8.905 -6.689 3.885 1.00 0.00 C ATOM 606 C CYS A 47 -9.256 -7.790 4.882 1.00 0.00 C ATOM 607 O CYS A 47 -9.153 -7.552 6.080 1.00 0.00 O ATOM 608 CB CYS A 47 -9.012 -5.368 4.619 1.00 0.00 C ATOM 609 SG CYS A 47 -8.387 -3.924 3.714 1.00 0.00 S ATOM 0 H CYS A 47 -10.630 -6.093 2.862 1.00 0.00 H new ATOM 0 HA CYS A 47 -7.904 -6.900 3.509 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -10.059 -5.194 4.869 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -8.468 -5.449 5.560 1.00 0.00 H new ATOM 614 N GLU A 48 -9.667 -8.967 4.417 1.00 0.00 N ATOM 615 CA GLU A 48 -10.034 -10.065 5.329 1.00 0.00 C ATOM 616 C GLU A 48 -9.028 -10.240 6.470 1.00 0.00 C ATOM 617 O GLU A 48 -9.292 -9.851 7.609 1.00 0.00 O ATOM 618 CB GLU A 48 -10.144 -11.393 4.568 1.00 0.00 C ATOM 619 CG GLU A 48 -11.268 -11.462 3.550 1.00 0.00 C ATOM 620 CD GLU A 48 -12.623 -11.602 4.192 1.00 0.00 C ATOM 621 OE1 GLU A 48 -12.751 -12.423 5.120 1.00 0.00 O ATOM 622 OE2 GLU A 48 -13.564 -10.921 3.752 1.00 0.00 O ATOM 0 H GLU A 48 -9.756 -9.191 3.426 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.999 -9.794 5.757 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.200 -11.580 4.056 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.280 -12.198 5.291 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.252 -10.562 2.936 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.097 -12.307 2.882 1.00 0.00 H new ATOM 629 N ASP A 49 -7.882 -10.833 6.162 1.00 0.00 N ATOM 630 CA ASP A 49 -6.849 -11.052 7.167 1.00 0.00 C ATOM 631 C ASP A 49 -5.791 -9.966 7.051 1.00 0.00 C ATOM 632 O ASP A 49 -4.965 -9.771 7.941 1.00 0.00 O ATOM 633 CB ASP A 49 -6.217 -12.434 6.995 1.00 0.00 C ATOM 634 CG ASP A 49 -5.397 -12.842 8.194 1.00 0.00 C ATOM 635 OD1 ASP A 49 -5.957 -12.892 9.307 1.00 0.00 O ATOM 636 OD2 ASP A 49 -4.197 -13.123 8.025 1.00 0.00 O ATOM 0 H ASP A 49 -7.644 -11.170 5.229 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.301 -11.008 8.158 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.002 -13.171 6.826 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.584 -12.434 6.108 1.00 0.00 H new ATOM 641 N HIS A 50 -5.844 -9.255 5.939 1.00 0.00 N ATOM 642 CA HIS A 50 -4.919 -8.166 5.660 1.00 0.00 C ATOM 643 C HIS A 50 -5.514 -6.871 6.195 1.00 0.00 C ATOM 644 O HIS A 50 -5.944 -6.003 5.433 1.00 0.00 O ATOM 645 CB HIS A 50 -4.667 -8.049 4.144 1.00 0.00 C ATOM 646 CG HIS A 50 -5.162 -9.223 3.341 1.00 0.00 C ATOM 647 ND1 HIS A 50 -6.016 -9.283 2.292 1.00 0.00 N flip ATOM 648 CD2 HIS A 50 -4.805 -10.529 3.609 1.00 0.00 C flip ATOM 649 CE1 HIS A 50 -6.158 -10.607 1.953 1.00 0.00 C flip ATOM 650 NE2 HIS A 50 -5.416 -11.338 2.763 1.00 0.00 N flip ATOM 0 H HIS A 50 -6.530 -9.415 5.201 1.00 0.00 H new ATOM 0 HA HIS A 50 -3.964 -8.364 6.147 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -5.149 -7.143 3.776 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -3.597 -7.932 3.973 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -6.470 -8.491 1.837 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -4.129 -10.842 4.391 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -6.776 -10.987 1.154 1.00 0.00 H new ATOM 658 N CYS A 51 -5.590 -6.765 7.513 1.00 0.00 N ATOM 659 CA CYS A 51 -6.191 -5.599 8.135 1.00 0.00 C ATOM 660 C CYS A 51 -5.323 -5.041 9.260 1.00 0.00 C ATOM 661 O CYS A 51 -5.759 -4.970 10.405 1.00 0.00 O ATOM 662 CB CYS A 51 -7.567 -5.987 8.681 1.00 0.00 C ATOM 663 SG CYS A 51 -8.696 -4.589 8.951 1.00 0.00 S ATOM 0 H CYS A 51 -5.245 -7.468 8.167 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.285 -4.817 7.382 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -8.035 -6.686 7.987 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.433 -6.516 9.625 1.00 0.00 H new ATOM 668 N HIS A 52 -4.100 -4.633 8.942 1.00 0.00 N ATOM 669 CA HIS A 52 -3.217 -4.077 9.957 1.00 0.00 C ATOM 670 C HIS A 52 -2.585 -2.764 9.501 1.00 0.00 C ATOM 671 O HIS A 52 -1.594 -2.307 10.073 1.00 0.00 O ATOM 672 CB HIS A 52 -2.134 -5.083 10.363 1.00 0.00 C ATOM 673 CG HIS A 52 -1.365 -5.670 9.219 1.00 0.00 C ATOM 674 ND1 HIS A 52 -0.649 -4.910 8.320 1.00 0.00 N ATOM 675 CD2 HIS A 52 -1.196 -6.957 8.841 1.00 0.00 C ATOM 676 CE1 HIS A 52 -0.077 -5.702 7.438 1.00 0.00 C ATOM 677 NE2 HIS A 52 -0.395 -6.953 7.725 1.00 0.00 N ATOM 0 H HIS A 52 -3.703 -4.676 8.004 1.00 0.00 H new ATOM 0 HA HIS A 52 -3.832 -3.864 10.832 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.435 -4.591 11.039 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.601 -5.893 10.923 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.613 -7.827 9.326 1.00 0.00 H new ATOM 0 HE1 HIS A 52 0.548 -5.383 6.617 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -0.095 -7.778 7.205 1.00 0.00 H new ATOM 685 N GLY A 53 -3.168 -2.149 8.482 1.00 0.00 N ATOM 686 CA GLY A 53 -2.647 -0.891 7.986 1.00 0.00 C ATOM 687 C GLY A 53 -3.713 0.179 7.889 1.00 0.00 C ATOM 688 O GLY A 53 -4.551 0.309 8.779 1.00 0.00 O ATOM 0 H GLY A 53 -3.991 -2.498 7.990 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.850 -0.547 8.645 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.203 -1.047 7.003 1.00 0.00 H new ATOM 692 N VAL A 54 -3.687 0.939 6.798 1.00 0.00 N ATOM 693 CA VAL A 54 -4.658 2.011 6.569 1.00 0.00 C ATOM 694 C VAL A 54 -6.097 1.482 6.552 1.00 0.00 C ATOM 695 O VAL A 54 -7.051 2.245 6.681 1.00 0.00 O ATOM 696 CB VAL A 54 -4.380 2.738 5.233 1.00 0.00 C ATOM 697 CG1 VAL A 54 -3.012 3.403 5.251 1.00 0.00 C ATOM 698 CG2 VAL A 54 -4.491 1.772 4.060 1.00 0.00 C ATOM 0 H VAL A 54 -3.000 0.833 6.052 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.548 2.711 7.398 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.134 3.516 5.109 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.840 3.908 4.300 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.972 4.132 6.061 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.242 2.647 5.405 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.292 2.304 3.130 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.765 0.968 4.181 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.496 1.351 4.029 1.00 0.00 H new ATOM 708 N CYS A 55 -6.241 0.174 6.383 1.00 0.00 N ATOM 709 CA CYS A 55 -7.553 -0.455 6.339 1.00 0.00 C ATOM 710 C CYS A 55 -8.131 -0.624 7.745 1.00 0.00 C ATOM 711 O CYS A 55 -9.335 -0.470 7.951 1.00 0.00 O ATOM 712 CB CYS A 55 -7.449 -1.809 5.640 1.00 0.00 C ATOM 713 SG CYS A 55 -8.994 -2.378 4.875 1.00 0.00 S ATOM 0 H CYS A 55 -5.461 -0.474 6.274 1.00 0.00 H new ATOM 0 HA CYS A 55 -8.229 0.190 5.777 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -6.678 -1.750 4.872 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -7.121 -2.554 6.365 1.00 0.00 H new ATOM 718 N LYS A 56 -7.272 -0.923 8.720 1.00 0.00 N ATOM 719 CA LYS A 56 -7.728 -1.091 10.102 1.00 0.00 C ATOM 720 C LYS A 56 -7.891 0.267 10.776 1.00 0.00 C ATOM 721 O LYS A 56 -8.381 0.365 11.902 1.00 0.00 O ATOM 722 CB LYS A 56 -6.774 -1.995 10.899 1.00 0.00 C ATOM 723 CG LYS A 56 -5.374 -1.430 11.121 1.00 0.00 C ATOM 724 CD LYS A 56 -5.275 -0.664 12.432 1.00 0.00 C ATOM 725 CE LYS A 56 -5.506 -1.579 13.626 1.00 0.00 C ATOM 726 NZ LYS A 56 -5.406 -0.851 14.920 1.00 0.00 N ATOM 0 H LYS A 56 -6.270 -1.053 8.583 1.00 0.00 H new ATOM 0 HA LYS A 56 -8.701 -1.583 10.082 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.223 -2.202 11.871 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.685 -2.949 10.379 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.649 -2.244 11.120 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.113 -0.770 10.294 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.292 -0.200 12.511 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.009 0.142 12.441 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.491 -2.038 13.545 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.775 -2.388 13.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.570 -1.514 15.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.458 -0.434 15.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.120 -0.096 14.949 1.00 0.00 H new ATOM 740 N ASP A 57 -7.492 1.313 10.058 1.00 0.00 N ATOM 741 CA ASP A 57 -7.602 2.681 10.546 1.00 0.00 C ATOM 742 C ASP A 57 -9.074 3.064 10.677 1.00 0.00 C ATOM 743 O ASP A 57 -9.445 3.900 11.501 1.00 0.00 O ATOM 744 CB ASP A 57 -6.883 3.630 9.581 1.00 0.00 C ATOM 745 CG ASP A 57 -6.956 5.077 10.009 1.00 0.00 C ATOM 746 OD1 ASP A 57 -6.495 5.391 11.122 1.00 0.00 O ATOM 747 OD2 ASP A 57 -7.459 5.905 9.221 1.00 0.00 O ATOM 0 H ASP A 57 -7.085 1.235 9.126 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.134 2.758 11.527 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.837 3.333 9.501 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.320 3.529 8.588 1.00 0.00 H new ATOM 752 N LEU A 58 -9.905 2.427 9.860 1.00 0.00 N ATOM 753 CA LEU A 58 -11.341 2.671 9.869 1.00 0.00 C ATOM 754 C LEU A 58 -12.067 1.568 10.641 1.00 0.00 C ATOM 755 O LEU A 58 -13.210 1.747 11.066 1.00 0.00 O ATOM 756 CB LEU A 58 -11.865 2.728 8.434 1.00 0.00 C ATOM 757 CG LEU A 58 -11.135 3.702 7.506 1.00 0.00 C ATOM 758 CD1 LEU A 58 -11.621 3.542 6.077 1.00 0.00 C ATOM 759 CD2 LEU A 58 -11.335 5.135 7.968 1.00 0.00 C ATOM 0 H LEU A 58 -9.604 1.731 9.177 1.00 0.00 H new ATOM 0 HA LEU A 58 -11.530 3.625 10.362 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.805 1.728 8.003 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.920 3.000 8.461 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.070 3.471 7.542 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.091 4.243 5.432 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.431 2.523 5.740 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -12.691 3.745 6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.808 5.811 7.295 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -12.398 5.374 7.963 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -10.942 5.250 8.978 1.00 0.00 H new ATOM 771 N HIS A 59 -11.382 0.432 10.806 1.00 0.00 N ATOM 772 CA HIS A 59 -11.910 -0.743 11.517 1.00 0.00 C ATOM 773 C HIS A 59 -13.087 -1.361 10.758 1.00 0.00 C ATOM 774 O HIS A 59 -14.252 -1.159 11.111 1.00 0.00 O ATOM 775 CB HIS A 59 -12.314 -0.390 12.957 1.00 0.00 C ATOM 776 CG HIS A 59 -12.180 -1.538 13.915 1.00 0.00 C ATOM 777 ND1 HIS A 59 -13.022 -2.629 13.919 1.00 0.00 N ATOM 778 CD2 HIS A 59 -11.262 -1.774 14.882 1.00 0.00 C ATOM 779 CE1 HIS A 59 -12.631 -3.483 14.848 1.00 0.00 C ATOM 780 NE2 HIS A 59 -11.558 -2.992 15.447 1.00 0.00 N ATOM 0 H HIS A 59 -10.436 0.298 10.448 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.112 -1.484 11.567 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -11.697 0.438 13.306 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.347 -0.042 12.961 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -10.446 -1.124 15.159 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -13.107 -4.424 15.080 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -11.038 -3.441 16.201 1.00 0.00 H new ATOM 788 N LEU A 60 -12.764 -2.111 9.705 1.00 0.00 N ATOM 789 CA LEU A 60 -13.768 -2.766 8.870 1.00 0.00 C ATOM 790 C LEU A 60 -13.536 -4.274 8.799 1.00 0.00 C ATOM 791 O LEU A 60 -14.437 -5.035 8.441 1.00 0.00 O ATOM 792 CB LEU A 60 -13.732 -2.212 7.437 1.00 0.00 C ATOM 793 CG LEU A 60 -14.585 -0.971 7.147 1.00 0.00 C ATOM 794 CD1 LEU A 60 -14.118 0.220 7.949 1.00 0.00 C ATOM 795 CD2 LEU A 60 -14.541 -0.650 5.665 1.00 0.00 C ATOM 0 H LEU A 60 -11.803 -2.281 9.408 1.00 0.00 H new ATOM 0 HA LEU A 60 -14.737 -2.566 9.328 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.697 -1.976 7.191 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -14.047 -3.005 6.759 1.00 0.00 H new ATOM 0 HG LEU A 60 -15.611 -1.190 7.441 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.744 1.082 7.719 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.190 -0.007 9.013 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.082 0.446 7.695 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -15.149 0.232 5.466 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -13.511 -0.457 5.365 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.931 -1.495 5.098 1.00 0.00 H new ATOM 807 N CYS A 61 -12.314 -4.693 9.095 1.00 0.00 N ATOM 808 CA CYS A 61 -11.943 -6.100 9.019 1.00 0.00 C ATOM 809 C CYS A 61 -11.281 -6.574 10.308 1.00 0.00 C ATOM 810 O CYS A 61 -11.090 -5.743 11.216 1.00 0.00 O ATOM 811 CB CYS A 61 -10.998 -6.289 7.834 1.00 0.00 C ATOM 812 SG CYS A 61 -10.041 -4.779 7.445 1.00 0.00 S ATOM 813 OXT CYS A 61 -10.963 -7.775 10.401 1.00 0.00 O ATOM 0 H CYS A 61 -11.558 -4.075 9.392 1.00 0.00 H new ATOM 0 HA CYS A 61 -12.843 -6.699 8.882 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -10.309 -7.105 8.051 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.575 -6.584 6.958 1.00 0.00 H new ATOM 1003 N CYS B 74 17.361 -9.260 4.553 1.00 0.00 N ATOM 1004 CA CYS B 74 16.278 -8.550 5.241 1.00 0.00 C ATOM 1005 C CYS B 74 15.201 -9.485 5.776 1.00 0.00 C ATOM 1006 O CYS B 74 14.054 -9.080 5.965 1.00 0.00 O ATOM 1007 CB CYS B 74 15.661 -7.437 4.388 1.00 0.00 C ATOM 1008 SG CYS B 74 15.040 -7.934 2.756 1.00 0.00 S ATOM 0 HA CYS B 74 16.751 -8.076 6.101 1.00 0.00 H new ATOM 0 HB2 CYS B 74 14.838 -6.992 4.947 1.00 0.00 H new ATOM 0 HB3 CYS B 74 16.410 -6.657 4.248 1.00 0.00 H new ATOM 1013 N ALA B 75 15.571 -10.725 6.064 1.00 0.00 N ATOM 1014 CA ALA B 75 14.630 -11.672 6.616 1.00 0.00 C ATOM 1015 C ALA B 75 14.666 -11.579 8.130 1.00 0.00 C ATOM 1016 O ALA B 75 15.352 -10.709 8.670 1.00 0.00 O ATOM 1017 CB ALA B 75 14.939 -13.086 6.151 1.00 0.00 C ATOM 0 H ALA B 75 16.512 -11.091 5.923 1.00 0.00 H new ATOM 0 HA ALA B 75 13.628 -11.429 6.263 1.00 0.00 H new ATOM 0 HB1 ALA B 75 14.215 -13.777 6.582 1.00 0.00 H new ATOM 0 HB2 ALA B 75 14.882 -13.132 5.063 1.00 0.00 H new ATOM 0 HB3 ALA B 75 15.942 -13.364 6.474 1.00 0.00 H new ATOM 1023 N ALA B 76 13.915 -12.459 8.805 1.00 0.00 N ATOM 1024 CA ALA B 76 13.825 -12.479 10.276 1.00 0.00 C ATOM 1025 C ALA B 76 13.028 -11.277 10.780 1.00 0.00 C ATOM 1026 O ALA B 76 12.089 -11.422 11.562 1.00 0.00 O ATOM 1027 CB ALA B 76 15.203 -12.533 10.930 1.00 0.00 C ATOM 0 H ALA B 76 13.352 -13.178 8.350 1.00 0.00 H new ATOM 0 HA ALA B 76 13.298 -13.390 10.561 1.00 0.00 H new ATOM 0 HB1 ALA B 76 15.091 -12.546 12.014 1.00 0.00 H new ATOM 0 HB2 ALA B 76 15.724 -13.435 10.608 1.00 0.00 H new ATOM 0 HB3 ALA B 76 15.780 -11.656 10.636 1.00 0.00 H new ATOM 1033 N ALA B 77 13.395 -10.097 10.306 1.00 0.00 N ATOM 1034 CA ALA B 77 12.715 -8.872 10.676 1.00 0.00 C ATOM 1035 C ALA B 77 11.392 -8.764 9.933 1.00 0.00 C ATOM 1036 O ALA B 77 10.350 -8.536 10.538 1.00 0.00 O ATOM 1037 CB ALA B 77 13.594 -7.661 10.384 1.00 0.00 C ATOM 0 H ALA B 77 14.170 -9.964 9.656 1.00 0.00 H new ATOM 0 HA ALA B 77 12.513 -8.895 11.747 1.00 0.00 H new ATOM 0 HB1 ALA B 77 13.066 -6.751 10.669 1.00 0.00 H new ATOM 0 HB2 ALA B 77 14.519 -7.737 10.955 1.00 0.00 H new ATOM 0 HB3 ALA B 77 13.826 -7.628 9.319 1.00 0.00 H new ATOM 1043 N ILE B 78 11.431 -8.944 8.616 1.00 0.00 N ATOM 1044 CA ILE B 78 10.218 -8.870 7.826 1.00 0.00 C ATOM 1045 C ILE B 78 9.451 -10.177 7.924 1.00 0.00 C ATOM 1046 O ILE B 78 8.231 -10.190 8.076 1.00 0.00 O ATOM 1047 CB ILE B 78 10.503 -8.490 6.344 1.00 0.00 C ATOM 1048 CG1 ILE B 78 9.230 -7.922 5.722 1.00 0.00 C ATOM 1049 CG2 ILE B 78 11.049 -9.636 5.493 1.00 0.00 C ATOM 1050 CD1 ILE B 78 8.761 -6.653 6.387 1.00 0.00 C ATOM 0 H ILE B 78 12.279 -9.139 8.084 1.00 0.00 H new ATOM 0 HA ILE B 78 9.601 -8.070 8.236 1.00 0.00 H new ATOM 0 HB ILE B 78 11.296 -7.742 6.358 1.00 0.00 H new ATOM 0 HG12 ILE B 78 9.406 -7.727 4.664 1.00 0.00 H new ATOM 0 HG13 ILE B 78 8.439 -8.670 5.781 1.00 0.00 H new ATOM 0 HG21 ILE B 78 11.219 -9.284 4.475 1.00 0.00 H new ATOM 0 HG22 ILE B 78 11.989 -9.988 5.917 1.00 0.00 H new ATOM 0 HG23 ILE B 78 10.328 -10.454 5.479 1.00 0.00 H new ATOM 0 HD11 ILE B 78 7.853 -6.301 5.899 1.00 0.00 H new ATOM 0 HD12 ILE B 78 8.555 -6.848 7.439 1.00 0.00 H new ATOM 0 HD13 ILE B 78 9.536 -5.891 6.305 1.00 0.00 H new ATOM 1062 N ALA B 79 10.192 -11.269 7.856 1.00 0.00 N ATOM 1063 CA ALA B 79 9.615 -12.610 7.946 1.00 0.00 C ATOM 1064 C ALA B 79 9.008 -12.870 9.323 1.00 0.00 C ATOM 1065 O ALA B 79 8.046 -13.628 9.453 1.00 0.00 O ATOM 1066 CB ALA B 79 10.659 -13.670 7.616 1.00 0.00 C ATOM 0 H ALA B 79 11.205 -11.258 7.738 1.00 0.00 H new ATOM 0 HA ALA B 79 8.812 -12.670 7.212 1.00 0.00 H new ATOM 0 HB1 ALA B 79 10.208 -14.660 7.689 1.00 0.00 H new ATOM 0 HB2 ALA B 79 11.029 -13.514 6.603 1.00 0.00 H new ATOM 0 HB3 ALA B 79 11.488 -13.596 8.320 1.00 0.00 H new ATOM 1072 N GLY B 80 9.564 -12.233 10.345 1.00 0.00 N ATOM 1073 CA GLY B 80 9.051 -12.401 11.693 1.00 0.00 C ATOM 1074 C GLY B 80 7.858 -11.509 11.949 1.00 0.00 C ATOM 1075 O GLY B 80 6.943 -11.879 12.688 1.00 0.00 O ATOM 0 H GLY B 80 10.362 -11.602 10.266 1.00 0.00 H new ATOM 0 HA2 GLY B 80 8.768 -13.442 11.848 1.00 0.00 H new ATOM 0 HA3 GLY B 80 9.837 -12.174 12.413 1.00 0.00 H new ATOM 1079 N ALA B 81 7.864 -10.331 11.327 1.00 0.00 N ATOM 1080 CA ALA B 81 6.771 -9.380 11.478 1.00 0.00 C ATOM 1081 C ALA B 81 5.505 -9.895 10.803 1.00 0.00 C ATOM 1082 O ALA B 81 4.398 -9.454 11.117 1.00 0.00 O ATOM 1083 CB ALA B 81 7.163 -8.020 10.922 1.00 0.00 C ATOM 0 H ALA B 81 8.615 -10.015 10.714 1.00 0.00 H new ATOM 0 HA ALA B 81 6.564 -9.268 12.542 1.00 0.00 H new ATOM 0 HB1 ALA B 81 6.333 -7.324 11.044 1.00 0.00 H new ATOM 0 HB2 ALA B 81 8.034 -7.644 11.459 1.00 0.00 H new ATOM 0 HB3 ALA B 81 7.403 -8.115 9.863 1.00 0.00 H new ATOM 1089 N VAL B 82 5.680 -10.848 9.887 1.00 0.00 N ATOM 1090 CA VAL B 82 4.574 -11.457 9.179 1.00 0.00 C ATOM 1091 C VAL B 82 3.636 -12.144 10.166 1.00 0.00 C ATOM 1092 O VAL B 82 2.432 -11.895 10.172 1.00 0.00 O ATOM 1093 CB VAL B 82 5.097 -12.486 8.151 1.00 0.00 C ATOM 1094 CG1 VAL B 82 3.957 -13.253 7.528 1.00 0.00 C ATOM 1095 CG2 VAL B 82 5.914 -11.799 7.068 1.00 0.00 C ATOM 0 H VAL B 82 6.595 -11.213 9.621 1.00 0.00 H new ATOM 0 HA VAL B 82 4.027 -10.676 8.650 1.00 0.00 H new ATOM 0 HB VAL B 82 5.739 -13.189 8.682 1.00 0.00 H new ATOM 0 HG11 VAL B 82 4.351 -13.970 6.808 1.00 0.00 H new ATOM 0 HG12 VAL B 82 3.408 -13.784 8.306 1.00 0.00 H new ATOM 0 HG13 VAL B 82 3.287 -12.560 7.019 1.00 0.00 H new ATOM 0 HG21 VAL B 82 6.272 -12.542 6.356 1.00 0.00 H new ATOM 0 HG22 VAL B 82 5.291 -11.070 6.550 1.00 0.00 H new ATOM 0 HG23 VAL B 82 6.765 -11.292 7.521 1.00 0.00 H new ATOM 1105 N ALA B 83 4.206 -12.997 11.006 1.00 0.00 N ATOM 1106 CA ALA B 83 3.438 -13.715 12.010 1.00 0.00 C ATOM 1107 C ALA B 83 3.053 -12.797 13.162 1.00 0.00 C ATOM 1108 O ALA B 83 1.967 -12.920 13.730 1.00 0.00 O ATOM 1109 CB ALA B 83 4.235 -14.898 12.530 1.00 0.00 C ATOM 0 H ALA B 83 5.204 -13.208 11.010 1.00 0.00 H new ATOM 0 HA ALA B 83 2.523 -14.078 11.543 1.00 0.00 H new ATOM 0 HB1 ALA B 83 3.650 -15.429 13.281 1.00 0.00 H new ATOM 0 HB2 ALA B 83 4.464 -15.573 11.705 1.00 0.00 H new ATOM 0 HB3 ALA B 83 5.164 -14.543 12.977 1.00 0.00 H new ATOM 1115 N ALA B 84 3.959 -11.884 13.506 1.00 0.00 N ATOM 1116 CA ALA B 84 3.736 -10.942 14.600 1.00 0.00 C ATOM 1117 C ALA B 84 2.516 -10.060 14.355 1.00 0.00 C ATOM 1118 O ALA B 84 1.727 -9.818 15.267 1.00 0.00 O ATOM 1119 CB ALA B 84 4.969 -10.077 14.813 1.00 0.00 C ATOM 0 H ALA B 84 4.860 -11.777 13.039 1.00 0.00 H new ATOM 0 HA ALA B 84 3.545 -11.528 15.499 1.00 0.00 H new ATOM 0 HB1 ALA B 84 4.788 -9.380 15.631 1.00 0.00 H new ATOM 0 HB2 ALA B 84 5.821 -10.711 15.059 1.00 0.00 H new ATOM 0 HB3 ALA B 84 5.184 -9.519 13.902 1.00 0.00 H new ATOM 1125 N CYS B 85 2.365 -9.569 13.132 1.00 0.00 N ATOM 1126 CA CYS B 85 1.236 -8.704 12.808 1.00 0.00 C ATOM 1127 C CYS B 85 0.047 -9.512 12.301 1.00 0.00 C ATOM 1128 O CYS B 85 -1.050 -8.978 12.142 1.00 0.00 O ATOM 1129 CB CYS B 85 1.636 -7.651 11.775 1.00 0.00 C ATOM 1130 SG CYS B 85 0.660 -6.117 11.898 1.00 0.00 S ATOM 0 H CYS B 85 3.001 -9.751 12.356 1.00 0.00 H new ATOM 0 HA CYS B 85 0.938 -8.197 13.726 1.00 0.00 H new ATOM 0 HB2 CYS B 85 2.692 -7.413 11.899 1.00 0.00 H new ATOM 0 HB3 CYS B 85 1.519 -8.069 10.775 1.00 0.00 H new ATOM 1135 N GLY B 86 0.262 -10.799 12.058 1.00 0.00 N ATOM 1136 CA GLY B 86 -0.812 -11.653 11.583 1.00 0.00 C ATOM 1137 C GLY B 86 -1.156 -11.415 10.126 1.00 0.00 C ATOM 1138 O GLY B 86 -2.326 -11.261 9.777 1.00 0.00 O ATOM 0 H GLY B 86 1.160 -11.267 12.181 1.00 0.00 H new ATOM 0 HA2 GLY B 86 -0.526 -12.696 11.718 1.00 0.00 H new ATOM 0 HA3 GLY B 86 -1.700 -11.485 12.193 1.00 0.00 H new ATOM 1142 N GLY B 87 -0.141 -11.382 9.277 1.00 0.00 N ATOM 1143 CA GLY B 87 -0.362 -11.162 7.859 1.00 0.00 C ATOM 1144 C GLY B 87 0.733 -10.324 7.245 1.00 0.00 C ATOM 1145 O GLY B 87 1.153 -9.322 7.829 1.00 0.00 O ATOM 0 H GLY B 87 0.836 -11.504 9.543 1.00 0.00 H new ATOM 0 HA2 GLY B 87 -0.416 -12.122 7.346 1.00 0.00 H new ATOM 0 HA3 GLY B 87 -1.323 -10.668 7.713 1.00 0.00 H new ATOM 1149 N ILE B 88 1.208 -10.721 6.074 1.00 0.00 N ATOM 1150 CA ILE B 88 2.264 -9.980 5.411 1.00 0.00 C ATOM 1151 C ILE B 88 1.688 -9.095 4.301 1.00 0.00 C ATOM 1152 O ILE B 88 1.262 -9.573 3.247 1.00 0.00 O ATOM 1153 CB ILE B 88 3.387 -10.929 4.881 1.00 0.00 C ATOM 1154 CG1 ILE B 88 4.535 -10.151 4.224 1.00 0.00 C ATOM 1155 CG2 ILE B 88 2.841 -11.964 3.909 1.00 0.00 C ATOM 1156 CD1 ILE B 88 4.303 -9.811 2.765 1.00 0.00 C ATOM 0 H ILE B 88 0.881 -11.545 5.569 1.00 0.00 H new ATOM 0 HA ILE B 88 2.731 -9.325 6.146 1.00 0.00 H new ATOM 0 HB ILE B 88 3.782 -11.449 5.754 1.00 0.00 H new ATOM 0 HG12 ILE B 88 4.697 -9.227 4.779 1.00 0.00 H new ATOM 0 HG13 ILE B 88 5.450 -10.737 4.307 1.00 0.00 H new ATOM 0 HG21 ILE B 88 3.654 -12.604 3.564 1.00 0.00 H new ATOM 0 HG22 ILE B 88 2.088 -12.572 4.410 1.00 0.00 H new ATOM 0 HG23 ILE B 88 2.390 -11.459 3.055 1.00 0.00 H new ATOM 0 HD11 ILE B 88 5.162 -9.262 2.378 1.00 0.00 H new ATOM 0 HD12 ILE B 88 4.173 -10.730 2.194 1.00 0.00 H new ATOM 0 HD13 ILE B 88 3.408 -9.196 2.673 1.00 0.00 H new ATOM 1168 N ASP B 89 1.684 -7.794 4.552 1.00 0.00 N ATOM 1169 CA ASP B 89 1.184 -6.823 3.590 1.00 0.00 C ATOM 1170 C ASP B 89 2.300 -5.856 3.252 1.00 0.00 C ATOM 1171 O ASP B 89 3.045 -6.055 2.295 1.00 0.00 O ATOM 1172 CB ASP B 89 -0.004 -6.028 4.153 1.00 0.00 C ATOM 1173 CG ASP B 89 -1.211 -6.876 4.489 1.00 0.00 C ATOM 1174 OD1 ASP B 89 -1.177 -8.099 4.255 1.00 0.00 O ATOM 1175 OD2 ASP B 89 -2.193 -6.310 5.001 1.00 0.00 O ATOM 0 H ASP B 89 2.025 -7.384 5.422 1.00 0.00 H new ATOM 0 HA ASP B 89 0.846 -7.361 2.704 1.00 0.00 H new ATOM 0 HB2 ASP B 89 0.318 -5.501 5.051 1.00 0.00 H new ATOM 0 HB3 ASP B 89 -0.297 -5.270 3.427 1.00 0.00 H new ATOM 1180 N LEU B 90 2.408 -4.819 4.081 1.00 0.00 N ATOM 1181 CA LEU B 90 3.422 -3.783 3.941 1.00 0.00 C ATOM 1182 C LEU B 90 3.254 -2.730 5.040 1.00 0.00 C ATOM 1183 O LEU B 90 4.210 -2.421 5.726 1.00 0.00 O ATOM 1184 CB LEU B 90 3.370 -3.118 2.557 1.00 0.00 C ATOM 1185 CG LEU B 90 4.335 -1.941 2.354 1.00 0.00 C ATOM 1186 CD1 LEU B 90 5.780 -2.376 2.531 1.00 0.00 C ATOM 1187 CD2 LEU B 90 4.149 -1.340 0.977 1.00 0.00 C ATOM 0 H LEU B 90 1.786 -4.676 4.876 1.00 0.00 H new ATOM 0 HA LEU B 90 4.398 -4.258 4.042 1.00 0.00 H new ATOM 0 HB2 LEU B 90 3.583 -3.874 1.801 1.00 0.00 H new ATOM 0 HB3 LEU B 90 2.353 -2.767 2.380 1.00 0.00 H new ATOM 0 HG LEU B 90 4.106 -1.190 3.110 1.00 0.00 H new ATOM 0 HD11 LEU B 90 6.439 -1.520 2.381 1.00 0.00 H new ATOM 0 HD12 LEU B 90 5.921 -2.770 3.537 1.00 0.00 H new ATOM 0 HD13 LEU B 90 6.019 -3.150 1.802 1.00 0.00 H new ATOM 0 HD21 LEU B 90 4.840 -0.507 0.847 1.00 0.00 H new ATOM 0 HD22 LEU B 90 4.348 -2.098 0.219 1.00 0.00 H new ATOM 0 HD23 LEU B 90 3.125 -0.982 0.872 1.00 0.00 H new ATOM 1199 N PRO B 91 2.035 -2.153 5.218 1.00 0.00 N ATOM 1200 CA PRO B 91 1.768 -1.123 6.235 1.00 0.00 C ATOM 1201 C PRO B 91 2.389 -1.400 7.607 1.00 0.00 C ATOM 1202 O PRO B 91 3.311 -0.704 8.031 1.00 0.00 O ATOM 1203 CB PRO B 91 0.234 -1.106 6.348 1.00 0.00 C ATOM 1204 CG PRO B 91 -0.264 -2.197 5.453 1.00 0.00 C ATOM 1205 CD PRO B 91 0.816 -2.429 4.445 1.00 0.00 C ATOM 0 HA PRO B 91 2.215 -0.176 5.932 1.00 0.00 H new ATOM 0 HB2 PRO B 91 -0.082 -1.273 7.378 1.00 0.00 H new ATOM 0 HB3 PRO B 91 -0.168 -0.139 6.044 1.00 0.00 H new ATOM 0 HG2 PRO B 91 -0.469 -3.104 6.021 1.00 0.00 H new ATOM 0 HG3 PRO B 91 -1.196 -1.908 4.967 1.00 0.00 H new ATOM 0 HD2 PRO B 91 0.801 -3.449 4.061 1.00 0.00 H new ATOM 0 HD3 PRO B 91 0.720 -1.764 3.587 1.00 0.00 H new ATOM 1213 N CYS B 92 1.861 -2.388 8.312 1.00 0.00 N ATOM 1214 CA CYS B 92 2.347 -2.715 9.649 1.00 0.00 C ATOM 1215 C CYS B 92 3.711 -3.396 9.637 1.00 0.00 C ATOM 1216 O CYS B 92 4.543 -3.152 10.512 1.00 0.00 O ATOM 1217 CB CYS B 92 1.327 -3.595 10.373 1.00 0.00 C ATOM 1218 SG CYS B 92 2.019 -4.621 11.711 1.00 0.00 S ATOM 0 H CYS B 92 1.097 -2.978 7.984 1.00 0.00 H new ATOM 0 HA CYS B 92 2.471 -1.772 10.181 1.00 0.00 H new ATOM 0 HB2 CYS B 92 0.548 -2.957 10.789 1.00 0.00 H new ATOM 0 HB3 CYS B 92 0.848 -4.248 9.643 1.00 0.00 H new ATOM 1223 N VAL B 93 3.925 -4.269 8.668 1.00 0.00 N ATOM 1224 CA VAL B 93 5.162 -5.017 8.559 1.00 0.00 C ATOM 1225 C VAL B 93 6.371 -4.118 8.241 1.00 0.00 C ATOM 1226 O VAL B 93 7.511 -4.479 8.530 1.00 0.00 O ATOM 1227 CB VAL B 93 5.012 -6.091 7.462 1.00 0.00 C ATOM 1228 CG1 VAL B 93 5.828 -7.316 7.799 1.00 0.00 C ATOM 1229 CG2 VAL B 93 3.551 -6.471 7.262 1.00 0.00 C ATOM 0 H VAL B 93 3.246 -4.478 7.936 1.00 0.00 H new ATOM 0 HA VAL B 93 5.352 -5.481 9.527 1.00 0.00 H new ATOM 0 HB VAL B 93 5.386 -5.668 6.530 1.00 0.00 H new ATOM 0 HG11 VAL B 93 5.708 -8.061 7.012 1.00 0.00 H new ATOM 0 HG12 VAL B 93 6.880 -7.041 7.881 1.00 0.00 H new ATOM 0 HG13 VAL B 93 5.486 -7.731 8.747 1.00 0.00 H new ATOM 0 HG21 VAL B 93 3.476 -7.230 6.483 1.00 0.00 H new ATOM 0 HG22 VAL B 93 3.147 -6.867 8.194 1.00 0.00 H new ATOM 0 HG23 VAL B 93 2.983 -5.589 6.966 1.00 0.00 H new ATOM 1239 N LEU B 94 6.116 -2.965 7.631 1.00 0.00 N ATOM 1240 CA LEU B 94 7.179 -2.029 7.247 1.00 0.00 C ATOM 1241 C LEU B 94 7.861 -1.396 8.459 1.00 0.00 C ATOM 1242 O LEU B 94 9.080 -1.232 8.480 1.00 0.00 O ATOM 1243 CB LEU B 94 6.591 -0.927 6.354 1.00 0.00 C ATOM 1244 CG LEU B 94 7.567 -0.207 5.419 1.00 0.00 C ATOM 1245 CD1 LEU B 94 8.343 0.869 6.159 1.00 0.00 C ATOM 1246 CD2 LEU B 94 8.511 -1.210 4.769 1.00 0.00 C ATOM 0 H LEU B 94 5.177 -2.650 7.388 1.00 0.00 H new ATOM 0 HA LEU B 94 7.936 -2.595 6.705 1.00 0.00 H new ATOM 0 HB2 LEU B 94 5.800 -1.367 5.747 1.00 0.00 H new ATOM 0 HB3 LEU B 94 6.123 -0.182 6.997 1.00 0.00 H new ATOM 0 HG LEU B 94 6.991 0.284 4.635 1.00 0.00 H new ATOM 0 HD11 LEU B 94 9.028 1.363 5.470 1.00 0.00 H new ATOM 0 HD12 LEU B 94 7.648 1.602 6.568 1.00 0.00 H new ATOM 0 HD13 LEU B 94 8.911 0.415 6.971 1.00 0.00 H new ATOM 0 HD21 LEU B 94 9.200 -0.685 4.107 1.00 0.00 H new ATOM 0 HD22 LEU B 94 9.077 -1.731 5.542 1.00 0.00 H new ATOM 0 HD23 LEU B 94 7.933 -1.933 4.193 1.00 0.00 H new ATOM 1258 N ALA B 95 7.067 -1.016 9.454 1.00 0.00 N ATOM 1259 CA ALA B 95 7.589 -0.363 10.657 1.00 0.00 C ATOM 1260 C ALA B 95 8.553 -1.245 11.458 1.00 0.00 C ATOM 1261 O ALA B 95 9.191 -0.767 12.395 1.00 0.00 O ATOM 1262 CB ALA B 95 6.439 0.089 11.546 1.00 0.00 C ATOM 0 H ALA B 95 6.056 -1.148 9.454 1.00 0.00 H new ATOM 0 HA ALA B 95 8.163 0.499 10.317 1.00 0.00 H new ATOM 0 HB1 ALA B 95 6.837 0.573 12.438 1.00 0.00 H new ATOM 0 HB2 ALA B 95 5.812 0.794 11.000 1.00 0.00 H new ATOM 0 HB3 ALA B 95 5.843 -0.776 11.838 1.00 0.00 H new ATOM 1268 N ALA B 96 8.659 -2.522 11.108 1.00 0.00 N ATOM 1269 CA ALA B 96 9.544 -3.432 11.830 1.00 0.00 C ATOM 1270 C ALA B 96 10.970 -3.428 11.278 1.00 0.00 C ATOM 1271 O ALA B 96 11.934 -3.539 12.036 1.00 0.00 O ATOM 1272 CB ALA B 96 8.980 -4.843 11.803 1.00 0.00 C ATOM 0 H ALA B 96 8.148 -2.949 10.335 1.00 0.00 H new ATOM 0 HA ALA B 96 9.596 -3.075 12.859 1.00 0.00 H new ATOM 0 HB1 ALA B 96 9.648 -5.512 12.344 1.00 0.00 H new ATOM 0 HB2 ALA B 96 7.998 -4.851 12.275 1.00 0.00 H new ATOM 0 HB3 ALA B 96 8.889 -5.179 10.770 1.00 0.00 H new ATOM 1278 N LEU B 97 11.110 -3.321 9.963 1.00 0.00 N ATOM 1279 CA LEU B 97 12.435 -3.338 9.344 1.00 0.00 C ATOM 1280 C LEU B 97 12.776 -2.011 8.671 1.00 0.00 C ATOM 1281 O LEU B 97 13.673 -1.958 7.826 1.00 0.00 O ATOM 1282 CB LEU B 97 12.520 -4.465 8.303 1.00 0.00 C ATOM 1283 CG LEU B 97 11.944 -4.136 6.913 1.00 0.00 C ATOM 1284 CD1 LEU B 97 12.176 -5.285 5.952 1.00 0.00 C ATOM 1285 CD2 LEU B 97 10.460 -3.808 6.978 1.00 0.00 C ATOM 0 H LEU B 97 10.334 -3.222 9.308 1.00 0.00 H new ATOM 0 HA LEU B 97 13.156 -3.508 10.143 1.00 0.00 H new ATOM 0 HB2 LEU B 97 13.566 -4.747 8.185 1.00 0.00 H new ATOM 0 HB3 LEU B 97 11.997 -5.337 8.695 1.00 0.00 H new ATOM 0 HG LEU B 97 12.468 -3.252 6.549 1.00 0.00 H new ATOM 0 HD11 LEU B 97 11.762 -5.032 4.976 1.00 0.00 H new ATOM 0 HD12 LEU B 97 13.246 -5.468 5.855 1.00 0.00 H new ATOM 0 HD13 LEU B 97 11.687 -6.182 6.333 1.00 0.00 H new ATOM 0 HD21 LEU B 97 10.093 -3.582 5.977 1.00 0.00 H new ATOM 0 HD22 LEU B 97 9.916 -4.663 7.379 1.00 0.00 H new ATOM 0 HD23 LEU B 97 10.306 -2.944 7.624 1.00 0.00 H new ATOM 1297 N LYS B 98 12.059 -0.953 9.017 1.00 0.00 N ATOM 1298 CA LYS B 98 12.299 0.344 8.401 1.00 0.00 C ATOM 1299 C LYS B 98 13.627 0.944 8.863 1.00 0.00 C ATOM 1300 O LYS B 98 14.637 0.808 8.170 1.00 0.00 O ATOM 1301 CB LYS B 98 11.140 1.306 8.684 1.00 0.00 C ATOM 1302 CG LYS B 98 11.013 2.413 7.647 1.00 0.00 C ATOM 1303 CD LYS B 98 11.445 3.775 8.174 1.00 0.00 C ATOM 1304 CE LYS B 98 10.462 4.338 9.190 1.00 0.00 C ATOM 1305 NZ LYS B 98 10.712 5.779 9.441 1.00 0.00 N ATOM 0 H LYS B 98 11.314 -0.965 9.713 1.00 0.00 H new ATOM 0 HA LYS B 98 12.361 0.191 7.324 1.00 0.00 H new ATOM 0 HB2 LYS B 98 10.208 0.742 8.719 1.00 0.00 H new ATOM 0 HB3 LYS B 98 11.279 1.753 9.668 1.00 0.00 H new ATOM 0 HG2 LYS B 98 11.617 2.158 6.776 1.00 0.00 H new ATOM 0 HG3 LYS B 98 9.978 2.471 7.311 1.00 0.00 H new ATOM 0 HD2 LYS B 98 12.430 3.689 8.633 1.00 0.00 H new ATOM 0 HD3 LYS B 98 11.542 4.471 7.341 1.00 0.00 H new ATOM 0 HE2 LYS B 98 9.443 4.201 8.828 1.00 0.00 H new ATOM 0 HE3 LYS B 98 10.545 3.784 10.125 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 10.026 6.134 10.138 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 11.676 5.905 9.809 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 10.609 6.309 8.552 1.00 0.00 H new ATOM 1361 N CYS B 103 17.013 -0.691 4.203 1.00 0.00 N ATOM 1362 CA CYS B 103 16.627 -1.870 4.971 1.00 0.00 C ATOM 1363 C CYS B 103 15.367 -2.512 4.408 1.00 0.00 C ATOM 1364 O CYS B 103 15.284 -3.735 4.286 1.00 0.00 O ATOM 1365 CB CYS B 103 16.426 -1.512 6.447 1.00 0.00 C ATOM 1366 SG CYS B 103 17.954 -1.008 7.303 1.00 0.00 S ATOM 0 HA CYS B 103 17.438 -2.594 4.893 1.00 0.00 H new ATOM 0 HB2 CYS B 103 15.698 -0.703 6.518 1.00 0.00 H new ATOM 0 HB3 CYS B 103 15.999 -2.372 6.964 1.00 0.00 H new ATOM 0 HG CYS B 103 17.683 -0.723 8.542 1.00 0.00 H new ATOM 1371 N ALA B 104 14.385 -1.690 4.061 1.00 0.00 N ATOM 1372 CA ALA B 104 13.133 -2.193 3.509 1.00 0.00 C ATOM 1373 C ALA B 104 13.146 -2.150 1.986 1.00 0.00 C ATOM 1374 O ALA B 104 12.151 -2.479 1.341 1.00 0.00 O ATOM 1375 CB ALA B 104 11.961 -1.390 4.050 1.00 0.00 C ATOM 0 H ALA B 104 14.430 -0.675 4.151 1.00 0.00 H new ATOM 0 HA ALA B 104 13.022 -3.233 3.815 1.00 0.00 H new ATOM 0 HB1 ALA B 104 11.032 -1.775 3.630 1.00 0.00 H new ATOM 0 HB2 ALA B 104 11.932 -1.476 5.136 1.00 0.00 H new ATOM 0 HB3 ALA B 104 12.078 -0.343 3.772 1.00 0.00 H new ATOM 1381 N SER B 105 14.276 -1.731 1.425 1.00 0.00 N ATOM 1382 CA SER B 105 14.443 -1.620 -0.023 1.00 0.00 C ATOM 1383 C SER B 105 14.121 -2.929 -0.741 1.00 0.00 C ATOM 1384 O SER B 105 13.470 -2.921 -1.783 1.00 0.00 O ATOM 1385 CB SER B 105 15.876 -1.200 -0.343 1.00 0.00 C ATOM 1386 OG SER B 105 16.298 -0.155 0.519 1.00 0.00 O ATOM 0 H SER B 105 15.101 -1.459 1.959 1.00 0.00 H new ATOM 0 HA SER B 105 13.741 -0.866 -0.379 1.00 0.00 H new ATOM 0 HB2 SER B 105 16.543 -2.056 -0.238 1.00 0.00 H new ATOM 0 HB3 SER B 105 15.941 -0.871 -1.380 1.00 0.00 H new ATOM 0 HG SER B 105 17.219 0.099 0.299 1.00 0.00 H new ATOM 1392 N CYS B 106 14.585 -4.045 -0.182 1.00 0.00 N ATOM 1393 CA CYS B 106 14.348 -5.366 -0.773 1.00 0.00 C ATOM 1394 C CYS B 106 12.863 -5.619 -0.977 1.00 0.00 C ATOM 1395 O CYS B 106 12.403 -5.818 -2.097 1.00 0.00 O ATOM 1396 CB CYS B 106 14.918 -6.455 0.131 1.00 0.00 C ATOM 1397 SG CYS B 106 14.614 -6.154 1.895 1.00 0.00 S ATOM 0 H CYS B 106 15.128 -4.063 0.681 1.00 0.00 H new ATOM 0 HA CYS B 106 14.845 -5.389 -1.743 1.00 0.00 H new ATOM 0 HB2 CYS B 106 14.482 -7.414 -0.147 1.00 0.00 H new ATOM 0 HB3 CYS B 106 15.992 -6.532 -0.038 1.00 0.00 H new ATOM 1402 N PHE B 107 12.131 -5.618 0.125 1.00 0.00 N ATOM 1403 CA PHE B 107 10.699 -5.850 0.115 1.00 0.00 C ATOM 1404 C PHE B 107 9.975 -4.824 -0.758 1.00 0.00 C ATOM 1405 O PHE B 107 9.227 -5.191 -1.657 1.00 0.00 O ATOM 1406 CB PHE B 107 10.199 -5.787 1.561 1.00 0.00 C ATOM 1407 CG PHE B 107 8.746 -6.119 1.781 1.00 0.00 C ATOM 1408 CD1 PHE B 107 7.861 -6.322 0.733 1.00 0.00 C ATOM 1409 CD2 PHE B 107 8.275 -6.224 3.069 1.00 0.00 C ATOM 1410 CE1 PHE B 107 6.535 -6.616 0.977 1.00 0.00 C ATOM 1411 CE2 PHE B 107 6.959 -6.516 3.323 1.00 0.00 C ATOM 1412 CZ PHE B 107 6.083 -6.714 2.276 1.00 0.00 C ATOM 0 H PHE B 107 12.517 -5.455 1.055 1.00 0.00 H new ATOM 0 HA PHE B 107 10.489 -6.830 -0.313 1.00 0.00 H new ATOM 0 HB2 PHE B 107 10.800 -6.470 2.161 1.00 0.00 H new ATOM 0 HB3 PHE B 107 10.382 -4.782 1.943 1.00 0.00 H new ATOM 0 HD1 PHE B 107 8.213 -6.249 -0.285 1.00 0.00 H new ATOM 0 HD2 PHE B 107 8.954 -6.074 3.896 1.00 0.00 H new ATOM 0 HE1 PHE B 107 5.853 -6.769 0.153 1.00 0.00 H new ATOM 0 HE2 PHE B 107 6.609 -6.591 4.342 1.00 0.00 H new ATOM 0 HZ PHE B 107 5.047 -6.945 2.473 1.00 0.00 H new ATOM 1422 N CYS B 108 10.180 -3.548 -0.475 1.00 0.00 N ATOM 1423 CA CYS B 108 9.510 -2.478 -1.217 1.00 0.00 C ATOM 1424 C CYS B 108 10.104 -2.227 -2.595 1.00 0.00 C ATOM 1425 O CYS B 108 9.947 -1.139 -3.129 1.00 0.00 O ATOM 1426 CB CYS B 108 9.598 -1.180 -0.438 1.00 0.00 C ATOM 1427 SG CYS B 108 9.210 -1.333 1.325 1.00 0.00 S ATOM 0 H CYS B 108 10.804 -3.222 0.263 1.00 0.00 H new ATOM 0 HA CYS B 108 8.479 -2.808 -1.347 1.00 0.00 H new ATOM 0 HB2 CYS B 108 10.605 -0.777 -0.542 1.00 0.00 H new ATOM 0 HB3 CYS B 108 8.917 -0.456 -0.885 1.00 0.00 H new ATOM 1432 N GLU B 109 10.783 -3.198 -3.168 1.00 0.00 N ATOM 1433 CA GLU B 109 11.389 -3.016 -4.480 1.00 0.00 C ATOM 1434 C GLU B 109 10.327 -2.772 -5.548 1.00 0.00 C ATOM 1435 O GLU B 109 10.339 -1.747 -6.236 1.00 0.00 O ATOM 1436 CB GLU B 109 12.211 -4.251 -4.836 1.00 0.00 C ATOM 1437 CG GLU B 109 13.039 -4.118 -6.106 1.00 0.00 C ATOM 1438 CD GLU B 109 14.087 -3.031 -6.033 1.00 0.00 C ATOM 1439 OE1 GLU B 109 13.715 -1.843 -6.032 1.00 0.00 O ATOM 1440 OE2 GLU B 109 15.287 -3.368 -5.980 1.00 0.00 O ATOM 0 H GLU B 109 10.932 -4.118 -2.753 1.00 0.00 H new ATOM 0 HA GLU B 109 12.037 -2.140 -4.443 1.00 0.00 H new ATOM 0 HB2 GLU B 109 12.879 -4.478 -4.005 1.00 0.00 H new ATOM 0 HB3 GLU B 109 11.537 -5.101 -4.945 1.00 0.00 H new ATOM 0 HG2 GLU B 109 13.528 -5.070 -6.312 1.00 0.00 H new ATOM 0 HG3 GLU B 109 12.373 -3.914 -6.944 1.00 0.00 H new ATOM 1447 N ASP B 110 9.412 -3.720 -5.687 1.00 0.00 N ATOM 1448 CA ASP B 110 8.343 -3.611 -6.669 1.00 0.00 C ATOM 1449 C ASP B 110 7.103 -3.007 -6.024 1.00 0.00 C ATOM 1450 O ASP B 110 6.233 -2.457 -6.701 1.00 0.00 O ATOM 1451 CB ASP B 110 8.024 -4.989 -7.253 1.00 0.00 C ATOM 1452 CG ASP B 110 7.217 -4.901 -8.524 1.00 0.00 C ATOM 1453 OD1 ASP B 110 7.695 -4.262 -9.483 1.00 0.00 O ATOM 1454 OD2 ASP B 110 6.114 -5.475 -8.570 1.00 0.00 O ATOM 0 H ASP B 110 9.388 -4.575 -5.131 1.00 0.00 H new ATOM 0 HA ASP B 110 8.669 -2.957 -7.478 1.00 0.00 H new ATOM 0 HB2 ASP B 110 8.954 -5.520 -7.453 1.00 0.00 H new ATOM 0 HB3 ASP B 110 7.474 -5.575 -6.516 1.00 0.00 H new ATOM 1459 N HIS B 111 7.045 -3.113 -4.705 1.00 0.00 N ATOM 1460 CA HIS B 111 5.928 -2.586 -3.924 1.00 0.00 C ATOM 1461 C HIS B 111 6.250 -1.164 -3.464 1.00 0.00 C ATOM 1462 O HIS B 111 6.849 -0.969 -2.402 1.00 0.00 O ATOM 1463 CB HIS B 111 5.681 -3.483 -2.704 1.00 0.00 C ATOM 1464 CG HIS B 111 5.714 -4.954 -3.009 1.00 0.00 C ATOM 1465 ND1 HIS B 111 6.663 -5.887 -2.753 1.00 0.00 N flip ATOM 1466 CD2 HIS B 111 4.701 -5.616 -3.664 1.00 0.00 C flip ATOM 1467 CE1 HIS B 111 6.207 -7.086 -3.247 1.00 0.00 C flip ATOM 1468 NE2 HIS B 111 5.020 -6.893 -3.794 1.00 0.00 N flip ATOM 0 H HIS B 111 7.767 -3.565 -4.144 1.00 0.00 H new ATOM 0 HA HIS B 111 5.031 -2.569 -4.543 1.00 0.00 H new ATOM 0 HB2 HIS B 111 6.433 -3.263 -1.946 1.00 0.00 H new ATOM 0 HB3 HIS B 111 4.711 -3.234 -2.273 1.00 0.00 H new ATOM 0 HD1 HIS B 111 7.553 -5.729 -2.280 1.00 0.00 H new ATOM 0 HD2 HIS B 111 3.787 -5.163 -4.017 1.00 0.00 H new ATOM 0 HE1 HIS B 111 6.732 -8.029 -3.196 1.00 0.00 H new ATOM 1476 N CYS B 112 5.892 -0.170 -4.270 1.00 0.00 N ATOM 1477 CA CYS B 112 6.202 1.217 -3.925 1.00 0.00 C ATOM 1478 C CYS B 112 4.981 2.130 -3.859 1.00 0.00 C ATOM 1479 O CYS B 112 5.030 3.247 -4.372 1.00 0.00 O ATOM 1480 CB CYS B 112 7.197 1.804 -4.928 1.00 0.00 C ATOM 1481 SG CYS B 112 8.875 1.111 -4.817 1.00 0.00 S ATOM 0 H CYS B 112 5.395 -0.292 -5.152 1.00 0.00 H new ATOM 0 HA CYS B 112 6.629 1.177 -2.923 1.00 0.00 H new ATOM 0 HB2 CYS B 112 6.816 1.641 -5.936 1.00 0.00 H new ATOM 0 HB3 CYS B 112 7.252 2.882 -4.778 1.00 0.00 H new ATOM 1486 N HIS B 113 3.903 1.708 -3.205 1.00 0.00 N ATOM 1487 CA HIS B 113 2.747 2.579 -3.090 1.00 0.00 C ATOM 1488 C HIS B 113 2.099 2.482 -1.711 1.00 0.00 C ATOM 1489 O HIS B 113 1.071 3.102 -1.452 1.00 0.00 O ATOM 1490 CB HIS B 113 1.739 2.354 -4.223 1.00 0.00 C ATOM 1491 CG HIS B 113 0.954 1.082 -4.175 1.00 0.00 C ATOM 1492 ND1 HIS B 113 -0.085 0.865 -3.297 1.00 0.00 N ATOM 1493 CD2 HIS B 113 1.016 -0.015 -4.956 1.00 0.00 C ATOM 1494 CE1 HIS B 113 -0.629 -0.308 -3.543 1.00 0.00 C ATOM 1495 NE2 HIS B 113 0.022 -0.865 -4.548 1.00 0.00 N ATOM 0 H HIS B 113 3.809 0.795 -2.760 1.00 0.00 H new ATOM 0 HA HIS B 113 3.108 3.602 -3.197 1.00 0.00 H new ATOM 0 HB2 HIS B 113 1.037 3.188 -4.226 1.00 0.00 H new ATOM 0 HB3 HIS B 113 2.277 2.387 -5.170 1.00 0.00 H new ATOM 0 HD2 HIS B 113 1.720 -0.191 -5.756 1.00 0.00 H new ATOM 0 HE1 HIS B 113 -1.465 -0.741 -3.014 1.00 0.00 H new ATOM 0 HE2 HIS B 113 -0.182 -1.778 -4.954 1.00 0.00 H new ATOM 1503 N GLY B 114 2.736 1.741 -0.812 1.00 0.00 N ATOM 1504 CA GLY B 114 2.225 1.624 0.541 1.00 0.00 C ATOM 1505 C GLY B 114 2.939 2.574 1.487 1.00 0.00 C ATOM 1506 O GLY B 114 3.442 3.607 1.058 1.00 0.00 O ATOM 0 H GLY B 114 3.594 1.221 -0.995 1.00 0.00 H new ATOM 0 HA2 GLY B 114 1.156 1.837 0.547 1.00 0.00 H new ATOM 0 HA3 GLY B 114 2.348 0.599 0.891 1.00 0.00 H new ATOM 1510 N VAL B 115 3.007 2.225 2.771 1.00 0.00 N ATOM 1511 CA VAL B 115 3.686 3.069 3.763 1.00 0.00 C ATOM 1512 C VAL B 115 5.187 3.146 3.505 1.00 0.00 C ATOM 1513 O VAL B 115 5.900 3.901 4.159 1.00 0.00 O ATOM 1514 CB VAL B 115 3.459 2.554 5.199 1.00 0.00 C ATOM 1515 CG1 VAL B 115 1.985 2.580 5.560 1.00 0.00 C ATOM 1516 CG2 VAL B 115 4.021 1.154 5.361 1.00 0.00 C ATOM 0 H VAL B 115 2.604 1.369 3.151 1.00 0.00 H new ATOM 0 HA VAL B 115 3.251 4.064 3.663 1.00 0.00 H new ATOM 0 HB VAL B 115 3.987 3.220 5.882 1.00 0.00 H new ATOM 0 HG11 VAL B 115 1.853 2.212 6.577 1.00 0.00 H new ATOM 0 HG12 VAL B 115 1.612 3.602 5.493 1.00 0.00 H new ATOM 0 HG13 VAL B 115 1.430 1.945 4.870 1.00 0.00 H new ATOM 0 HG21 VAL B 115 3.851 0.809 6.381 1.00 0.00 H new ATOM 0 HG22 VAL B 115 3.525 0.480 4.663 1.00 0.00 H new ATOM 0 HG23 VAL B 115 5.092 1.166 5.156 1.00 0.00 H new ATOM 1526 N CYS B 116 5.669 2.376 2.542 1.00 0.00 N ATOM 1527 CA CYS B 116 7.079 2.401 2.224 1.00 0.00 C ATOM 1528 C CYS B 116 7.372 3.613 1.358 1.00 0.00 C ATOM 1529 O CYS B 116 8.483 4.140 1.354 1.00 0.00 O ATOM 1530 CB CYS B 116 7.502 1.123 1.517 1.00 0.00 C ATOM 1531 SG CYS B 116 9.191 0.597 1.923 1.00 0.00 S ATOM 0 H CYS B 116 5.110 1.736 1.977 1.00 0.00 H new ATOM 0 HA CYS B 116 7.651 2.468 3.149 1.00 0.00 H new ATOM 0 HB2 CYS B 116 6.808 0.325 1.780 1.00 0.00 H new ATOM 0 HB3 CYS B 116 7.425 1.270 0.440 1.00 0.00 H new ATOM 1536 N LYS B 117 6.351 4.078 0.646 1.00 0.00 N ATOM 1537 CA LYS B 117 6.507 5.259 -0.189 1.00 0.00 C ATOM 1538 C LYS B 117 6.035 6.498 0.554 1.00 0.00 C ATOM 1539 O LYS B 117 6.042 7.585 -0.014 1.00 0.00 O ATOM 1540 CB LYS B 117 5.783 5.128 -1.545 1.00 0.00 C ATOM 1541 CG LYS B 117 4.271 4.909 -1.474 1.00 0.00 C ATOM 1542 CD LYS B 117 3.496 6.167 -1.095 1.00 0.00 C ATOM 1543 CE LYS B 117 3.616 7.262 -2.146 1.00 0.00 C ATOM 1544 NZ LYS B 117 2.767 6.995 -3.341 1.00 0.00 N ATOM 0 H LYS B 117 5.420 3.661 0.631 1.00 0.00 H new ATOM 0 HA LYS B 117 7.570 5.357 -0.409 1.00 0.00 H new ATOM 0 HB2 LYS B 117 5.973 6.030 -2.126 1.00 0.00 H new ATOM 0 HB3 LYS B 117 6.226 4.297 -2.093 1.00 0.00 H new ATOM 0 HG2 LYS B 117 3.917 4.550 -2.440 1.00 0.00 H new ATOM 0 HG3 LYS B 117 4.058 4.126 -0.746 1.00 0.00 H new ATOM 0 HD2 LYS B 117 2.445 5.915 -0.956 1.00 0.00 H new ATOM 0 HD3 LYS B 117 3.863 6.542 -0.140 1.00 0.00 H new ATOM 0 HE2 LYS B 117 3.330 8.217 -1.706 1.00 0.00 H new ATOM 0 HE3 LYS B 117 4.657 7.353 -2.456 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 2.882 7.767 -4.028 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 3.056 6.097 -3.778 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 1.770 6.935 -3.052 1.00 0.00 H new ATOM 1558 N ASP B 118 5.640 6.322 1.829 1.00 0.00 N ATOM 1559 CA ASP B 118 5.179 7.435 2.671 1.00 0.00 C ATOM 1560 C ASP B 118 6.134 8.610 2.495 1.00 0.00 C ATOM 1561 O ASP B 118 5.719 9.751 2.274 1.00 0.00 O ATOM 1562 CB ASP B 118 5.079 6.979 4.135 1.00 0.00 C ATOM 1563 CG ASP B 118 5.050 8.123 5.122 1.00 0.00 C ATOM 1564 OD1 ASP B 118 4.104 8.933 5.066 1.00 0.00 O ATOM 1565 OD2 ASP B 118 5.965 8.200 5.967 1.00 0.00 O ATOM 0 H ASP B 118 5.632 5.416 2.297 1.00 0.00 H new ATOM 0 HA ASP B 118 4.182 7.758 2.370 1.00 0.00 H new ATOM 0 HB2 ASP B 118 4.178 6.379 4.260 1.00 0.00 H new ATOM 0 HB3 ASP B 118 5.926 6.333 4.365 1.00 0.00 H new ATOM 1570 N LEU B 119 7.415 8.280 2.474 1.00 0.00 N ATOM 1571 CA LEU B 119 8.458 9.245 2.194 1.00 0.00 C ATOM 1572 C LEU B 119 8.956 8.936 0.787 1.00 0.00 C ATOM 1573 O LEU B 119 8.750 9.721 -0.137 1.00 0.00 O ATOM 1574 CB LEU B 119 9.604 9.139 3.203 1.00 0.00 C ATOM 1575 CG LEU B 119 9.214 9.365 4.665 1.00 0.00 C ATOM 1576 CD1 LEU B 119 10.427 9.207 5.565 1.00 0.00 C ATOM 1577 CD2 LEU B 119 8.590 10.741 4.848 1.00 0.00 C ATOM 0 H LEU B 119 7.758 7.336 2.651 1.00 0.00 H new ATOM 0 HA LEU B 119 8.073 10.262 2.270 1.00 0.00 H new ATOM 0 HB2 LEU B 119 10.054 8.150 3.113 1.00 0.00 H new ATOM 0 HB3 LEU B 119 10.372 9.864 2.933 1.00 0.00 H new ATOM 0 HG LEU B 119 8.474 8.615 4.944 1.00 0.00 H new ATOM 0 HD11 LEU B 119 10.134 9.371 6.602 1.00 0.00 H new ATOM 0 HD12 LEU B 119 10.832 8.201 5.457 1.00 0.00 H new ATOM 0 HD13 LEU B 119 11.187 9.936 5.283 1.00 0.00 H new ATOM 0 HD21 LEU B 119 8.320 10.882 5.895 1.00 0.00 H new ATOM 0 HD22 LEU B 119 9.306 11.508 4.552 1.00 0.00 H new ATOM 0 HD23 LEU B 119 7.697 10.821 4.229 1.00 0.00 H new ATOM 1589 N HIS B 120 9.550 7.734 0.665 1.00 0.00 N ATOM 1590 CA HIS B 120 10.072 7.150 -0.586 1.00 0.00 C ATOM 1591 C HIS B 120 11.318 6.339 -0.268 1.00 0.00 C ATOM 1592 O HIS B 120 12.425 6.880 -0.223 1.00 0.00 O ATOM 1593 CB HIS B 120 10.400 8.183 -1.669 1.00 0.00 C ATOM 1594 CG HIS B 120 10.239 7.629 -3.049 1.00 0.00 C ATOM 1595 ND1 HIS B 120 10.972 6.564 -3.516 1.00 0.00 N ATOM 1596 CD2 HIS B 120 9.386 7.962 -4.047 1.00 0.00 C ATOM 1597 CE1 HIS B 120 10.580 6.260 -4.738 1.00 0.00 C ATOM 1598 NE2 HIS B 120 9.615 7.092 -5.089 1.00 0.00 N ATOM 0 H HIS B 120 9.685 7.118 1.467 1.00 0.00 H new ATOM 0 HA HIS B 120 9.279 6.524 -0.994 1.00 0.00 H new ATOM 0 HB2 HIS B 120 9.750 9.050 -1.550 1.00 0.00 H new ATOM 0 HB3 HIS B 120 11.424 8.532 -1.537 1.00 0.00 H new ATOM 0 HD2 HIS B 120 8.661 8.762 -4.029 1.00 0.00 H new ATOM 0 HE1 HIS B 120 10.980 5.465 -5.349 1.00 0.00 H new ATOM 0 HE2 HIS B 120 9.122 7.090 -5.982 1.00 0.00 H new ATOM 1606 N LEU B 121 11.133 5.048 -0.005 1.00 0.00 N ATOM 1607 CA LEU B 121 12.246 4.182 0.357 1.00 0.00 C ATOM 1608 C LEU B 121 12.523 3.082 -0.676 1.00 0.00 C ATOM 1609 O LEU B 121 12.985 1.999 -0.314 1.00 0.00 O ATOM 1610 CB LEU B 121 11.980 3.544 1.721 1.00 0.00 C ATOM 1611 CG LEU B 121 11.672 4.529 2.853 1.00 0.00 C ATOM 1612 CD1 LEU B 121 11.313 3.791 4.128 1.00 0.00 C ATOM 1613 CD2 LEU B 121 12.855 5.447 3.104 1.00 0.00 C ATOM 0 H LEU B 121 10.226 4.582 -0.036 1.00 0.00 H new ATOM 0 HA LEU B 121 13.134 4.814 0.392 1.00 0.00 H new ATOM 0 HB2 LEU B 121 11.142 2.853 1.624 1.00 0.00 H new ATOM 0 HB3 LEU B 121 12.850 2.952 2.003 1.00 0.00 H new ATOM 0 HG LEU B 121 10.818 5.132 2.546 1.00 0.00 H new ATOM 0 HD11 LEU B 121 11.098 4.511 4.917 1.00 0.00 H new ATOM 0 HD12 LEU B 121 10.434 3.171 3.954 1.00 0.00 H new ATOM 0 HD13 LEU B 121 12.148 3.160 4.430 1.00 0.00 H new ATOM 0 HD21 LEU B 121 12.614 6.138 3.912 1.00 0.00 H new ATOM 0 HD22 LEU B 121 13.725 4.852 3.383 1.00 0.00 H new ATOM 0 HD23 LEU B 121 13.077 6.011 2.198 1.00 0.00 H new ATOM 1625 N CYS B 122 12.270 3.356 -1.951 1.00 0.00 N ATOM 1626 CA CYS B 122 12.534 2.372 -3.003 1.00 0.00 C ATOM 1627 C CYS B 122 12.791 3.056 -4.335 1.00 0.00 C ATOM 1628 O CYS B 122 13.009 4.279 -4.339 1.00 0.00 O ATOM 1629 CB CYS B 122 11.389 1.369 -3.159 1.00 0.00 C ATOM 1630 SG CYS B 122 9.725 2.108 -3.261 1.00 0.00 S ATOM 1631 OXT CYS B 122 12.785 2.357 -5.369 1.00 0.00 O ATOM 0 H CYS B 122 11.886 4.241 -2.282 1.00 0.00 H new ATOM 0 HA CYS B 122 13.425 1.824 -2.697 1.00 0.00 H new ATOM 0 HB2 CYS B 122 11.563 0.778 -4.058 1.00 0.00 H new ATOM 0 HB3 CYS B 122 11.413 0.679 -2.315 1.00 0.00 H new