USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 422 CYS SG : rot -155:sc= 0.495 USER MOD Set 1.2: A 425 CYS SG : rot -120:sc= 0.312 USER MOD Set 1.3: A 438 HIS : no HE2:sc= -2.02! K(o=-2.4!,f=-3.3) USER MOD Set 1.4: A 443 HIS : no HE2:sc= -1.24 K(o=-2.4,f=-4.8) USER MOD Set 2.1: A 392 CYS SG : rot -151:sc= -0.386 USER MOD Set 2.2: A 395 CYS SG : rot 142:sc= 0.461 USER MOD Set 2.3: A 408 HIS : no HE2:sc= 0.946 K(o=1.8,f=-2.7) USER MOD Set 2.4: A 412 HIS : no HD1:sc= 0.81 K(o=1.8,f=-7.3!) USER MOD Set 3.1: A 364 CYS SG : rot 70:sc= 0.195 USER MOD Set 3.2: A 367 CYS SG : rot -49:sc= 0.846 USER MOD Set 3.3: A 380 HIS : no HD1:sc= 0.346 K(o=1.4,f=-1.9) USER MOD Single : A 369 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 375 TYR OH : rot 180:sc= 0 USER MOD Single : A 376 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.27) USER MOD Single : A 378 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 381 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 388 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 390 TYR OH : rot 180:sc= 0 USER MOD Single : A 391 SER OG : rot 76:sc= 1.1 USER MOD Single : A 400 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 402 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 405 MET CE :methyl -137:sc= -2.18 (180deg=-4.03!) USER MOD Single : A 406 SER OG : rot 180:sc= 0 USER MOD Single : A 407 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 SER OG : rot 180:sc= 0 USER MOD Single : A 418 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 420 TYR OH : rot 180:sc= 0 USER MOD Single : A 423 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 424 SER OG : rot 180:sc= 0 USER MOD Single : A 427 LYS NZ :NH3+ -149:sc= 0.111 (180deg=0) USER MOD Single : A 430 SER OG : rot 180:sc= 0.109 USER MOD Single : A 434 HIS : no HD1:sc= -0.366 X(o=-0.37,f=-0.022) USER MOD Single : A 436 ASN : amide:sc= -0.219 X(o=-0.22,f=-0.0037) USER MOD Single : A 440 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 441 GLN : amide:sc=-0.00185 X(o=-0.0018,f=0) USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 362 -12.310 -22.023 -19.338 1.00 0.00 N ATOM 67 CA VAL A 362 -11.192 -21.268 -18.785 1.00 0.00 C ATOM 68 C VAL A 362 -11.672 -20.244 -17.762 1.00 0.00 C ATOM 69 O VAL A 362 -12.714 -19.615 -17.941 1.00 0.00 O ATOM 70 CB VAL A 362 -10.404 -20.541 -19.891 1.00 0.00 C ATOM 71 CG1 VAL A 362 -11.260 -19.462 -20.536 1.00 0.00 C ATOM 72 CG2 VAL A 362 -9.120 -19.950 -19.329 1.00 0.00 C ATOM 0 HA VAL A 362 -10.536 -21.988 -18.295 1.00 0.00 H new ATOM 0 HB VAL A 362 -10.137 -21.266 -20.660 1.00 0.00 H new ATOM 0 HG11 VAL A 362 -10.686 -18.960 -21.315 1.00 0.00 H new ATOM 0 HG12 VAL A 362 -12.148 -19.916 -20.975 1.00 0.00 H new ATOM 0 HG13 VAL A 362 -11.560 -18.736 -19.781 1.00 0.00 H new ATOM 0 HG21 VAL A 362 -8.576 -19.440 -20.124 1.00 0.00 H new ATOM 0 HG22 VAL A 362 -9.362 -19.238 -18.540 1.00 0.00 H new ATOM 0 HG23 VAL A 362 -8.501 -20.748 -18.920 1.00 0.00 H new ATOM 82 N ALA A 363 -10.904 -20.083 -16.689 1.00 0.00 N ATOM 83 CA ALA A 363 -11.250 -19.134 -15.639 1.00 0.00 C ATOM 84 C ALA A 363 -10.257 -17.977 -15.595 1.00 0.00 C ATOM 85 O ALA A 363 -9.044 -18.188 -15.554 1.00 0.00 O ATOM 86 CB ALA A 363 -11.305 -19.836 -14.290 1.00 0.00 C ATOM 0 H ALA A 363 -10.039 -20.597 -16.525 1.00 0.00 H new ATOM 0 HA ALA A 363 -12.235 -18.725 -15.864 1.00 0.00 H new ATOM 0 HB1 ALA A 363 -11.565 -19.115 -13.515 1.00 0.00 H new ATOM 0 HB2 ALA A 363 -12.058 -20.623 -14.320 1.00 0.00 H new ATOM 0 HB3 ALA A 363 -10.332 -20.273 -14.067 1.00 0.00 H new ATOM 92 N CYS A 364 -10.778 -16.755 -15.605 1.00 0.00 N ATOM 93 CA CYS A 364 -9.938 -15.564 -15.568 1.00 0.00 C ATOM 94 C CYS A 364 -9.085 -15.540 -14.303 1.00 0.00 C ATOM 95 O CYS A 364 -9.559 -15.873 -13.217 1.00 0.00 O ATOM 96 CB CYS A 364 -10.801 -14.303 -15.639 1.00 0.00 C ATOM 97 SG CYS A 364 -9.898 -12.813 -16.169 1.00 0.00 S ATOM 0 H CYS A 364 -11.779 -16.563 -15.638 1.00 0.00 H new ATOM 0 HA CYS A 364 -9.274 -15.590 -16.432 1.00 0.00 H new ATOM 0 HB2 CYS A 364 -11.627 -14.479 -16.329 1.00 0.00 H new ATOM 0 HB3 CYS A 364 -11.239 -14.120 -14.658 1.00 0.00 H new ATOM 0 HG CYS A 364 -9.584 -12.920 -17.426 1.00 0.00 H new ATOM 102 N GLU A 365 -7.826 -15.142 -14.452 1.00 0.00 N ATOM 103 CA GLU A 365 -6.907 -15.075 -13.322 1.00 0.00 C ATOM 104 C GLU A 365 -6.742 -13.636 -12.840 1.00 0.00 C ATOM 105 O GLU A 365 -5.696 -13.266 -12.307 1.00 0.00 O ATOM 106 CB GLU A 365 -5.545 -15.655 -13.708 1.00 0.00 C ATOM 107 CG GLU A 365 -4.749 -14.765 -14.649 1.00 0.00 C ATOM 108 CD GLU A 365 -3.763 -15.546 -15.495 1.00 0.00 C ATOM 109 OE1 GLU A 365 -4.189 -16.132 -16.512 1.00 0.00 O ATOM 110 OE2 GLU A 365 -2.566 -15.572 -15.141 1.00 0.00 O ATOM 0 H GLU A 365 -7.419 -14.861 -15.344 1.00 0.00 H new ATOM 0 HA GLU A 365 -7.328 -15.667 -12.509 1.00 0.00 H new ATOM 0 HB2 GLU A 365 -4.962 -15.825 -12.803 1.00 0.00 H new ATOM 0 HB3 GLU A 365 -5.694 -16.627 -14.179 1.00 0.00 H new ATOM 0 HG2 GLU A 365 -5.436 -14.227 -15.302 1.00 0.00 H new ATOM 0 HG3 GLU A 365 -4.210 -14.017 -14.067 1.00 0.00 H new ATOM 117 N ILE A 366 -7.781 -12.831 -13.032 1.00 0.00 N ATOM 118 CA ILE A 366 -7.752 -11.434 -12.617 1.00 0.00 C ATOM 119 C ILE A 366 -9.019 -11.061 -11.855 1.00 0.00 C ATOM 120 O ILE A 366 -8.966 -10.351 -10.850 1.00 0.00 O ATOM 121 CB ILE A 366 -7.596 -10.491 -13.825 1.00 0.00 C ATOM 122 CG1 ILE A 366 -6.329 -10.837 -14.609 1.00 0.00 C ATOM 123 CG2 ILE A 366 -7.561 -9.042 -13.364 1.00 0.00 C ATOM 124 CD1 ILE A 366 -6.589 -11.174 -16.061 1.00 0.00 C ATOM 0 H ILE A 366 -8.654 -13.122 -13.472 1.00 0.00 H new ATOM 0 HA ILE A 366 -6.889 -11.317 -11.962 1.00 0.00 H new ATOM 0 HB ILE A 366 -8.455 -10.622 -14.483 1.00 0.00 H new ATOM 0 HG12 ILE A 366 -5.639 -9.995 -14.558 1.00 0.00 H new ATOM 0 HG13 ILE A 366 -5.835 -11.683 -14.131 1.00 0.00 H new ATOM 0 HG21 ILE A 366 -7.450 -8.388 -14.229 1.00 0.00 H new ATOM 0 HG22 ILE A 366 -8.489 -8.803 -12.844 1.00 0.00 H new ATOM 0 HG23 ILE A 366 -6.719 -8.895 -12.688 1.00 0.00 H new ATOM 0 HD11 ILE A 366 -5.646 -11.409 -16.555 1.00 0.00 H new ATOM 0 HD12 ILE A 366 -7.254 -12.035 -16.121 1.00 0.00 H new ATOM 0 HD13 ILE A 366 -7.054 -10.321 -16.555 1.00 0.00 H new ATOM 136 N CYS A 367 -10.158 -11.544 -12.339 1.00 0.00 N ATOM 137 CA CYS A 367 -11.440 -11.263 -11.704 1.00 0.00 C ATOM 138 C CYS A 367 -12.087 -12.547 -11.193 1.00 0.00 C ATOM 139 O CYS A 367 -12.779 -12.544 -10.176 1.00 0.00 O ATOM 140 CB CYS A 367 -12.378 -10.563 -12.689 1.00 0.00 C ATOM 141 SG CYS A 367 -12.633 -11.471 -14.248 1.00 0.00 S ATOM 0 H CYS A 367 -10.219 -12.133 -13.170 1.00 0.00 H new ATOM 0 HA CYS A 367 -11.260 -10.605 -10.854 1.00 0.00 H new ATOM 0 HB2 CYS A 367 -13.344 -10.410 -12.208 1.00 0.00 H new ATOM 0 HB3 CYS A 367 -11.976 -9.576 -12.918 1.00 0.00 H new ATOM 0 HG CYS A 367 -11.482 -11.821 -14.740 1.00 0.00 H new ATOM 146 N GLY A 368 -11.857 -13.644 -11.908 1.00 0.00 N ATOM 147 CA GLY A 368 -12.424 -14.920 -11.512 1.00 0.00 C ATOM 148 C GLY A 368 -13.673 -15.268 -12.297 1.00 0.00 C ATOM 149 O GLY A 368 -14.559 -15.960 -11.795 1.00 0.00 O ATOM 0 H GLY A 368 -11.288 -13.672 -12.754 1.00 0.00 H new ATOM 0 HA2 GLY A 368 -11.680 -15.704 -11.653 1.00 0.00 H new ATOM 0 HA3 GLY A 368 -12.662 -14.894 -10.449 1.00 0.00 H new ATOM 153 N LYS A 369 -13.746 -14.787 -13.533 1.00 0.00 N ATOM 154 CA LYS A 369 -14.896 -15.050 -14.391 1.00 0.00 C ATOM 155 C LYS A 369 -14.613 -16.210 -15.340 1.00 0.00 C ATOM 156 O LYS A 369 -13.519 -16.316 -15.896 1.00 0.00 O ATOM 157 CB LYS A 369 -15.257 -13.797 -15.192 1.00 0.00 C ATOM 158 CG LYS A 369 -16.076 -12.788 -14.407 1.00 0.00 C ATOM 159 CD LYS A 369 -15.982 -11.399 -15.016 1.00 0.00 C ATOM 160 CE LYS A 369 -17.341 -10.901 -15.483 1.00 0.00 C ATOM 161 NZ LYS A 369 -18.133 -10.318 -14.364 1.00 0.00 N ATOM 0 H LYS A 369 -13.022 -14.212 -13.964 1.00 0.00 H new ATOM 0 HA LYS A 369 -15.738 -15.322 -13.755 1.00 0.00 H new ATOM 0 HB2 LYS A 369 -14.340 -13.319 -15.536 1.00 0.00 H new ATOM 0 HB3 LYS A 369 -15.815 -14.092 -16.081 1.00 0.00 H new ATOM 0 HG2 LYS A 369 -17.118 -13.105 -14.381 1.00 0.00 H new ATOM 0 HG3 LYS A 369 -15.726 -12.758 -13.375 1.00 0.00 H new ATOM 0 HD2 LYS A 369 -15.572 -10.706 -14.281 1.00 0.00 H new ATOM 0 HD3 LYS A 369 -15.291 -11.416 -15.859 1.00 0.00 H new ATOM 0 HE2 LYS A 369 -17.205 -10.150 -16.261 1.00 0.00 H new ATOM 0 HE3 LYS A 369 -17.896 -11.726 -15.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 369 -19.052 -9.990 -14.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 369 -18.285 -11.041 -13.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 369 -17.615 -9.515 -13.954 1.00 0.00 H new ATOM 175 N ILE A 370 -15.604 -17.075 -15.521 1.00 0.00 N ATOM 176 CA ILE A 370 -15.462 -18.225 -16.405 1.00 0.00 C ATOM 177 C ILE A 370 -15.873 -17.877 -17.831 1.00 0.00 C ATOM 178 O ILE A 370 -16.799 -17.094 -18.048 1.00 0.00 O ATOM 179 CB ILE A 370 -16.304 -19.419 -15.917 1.00 0.00 C ATOM 180 CG1 ILE A 370 -15.952 -19.759 -14.467 1.00 0.00 C ATOM 181 CG2 ILE A 370 -16.085 -20.625 -16.818 1.00 0.00 C ATOM 182 CD1 ILE A 370 -14.510 -20.171 -14.275 1.00 0.00 C ATOM 0 H ILE A 370 -16.515 -17.002 -15.067 1.00 0.00 H new ATOM 0 HA ILE A 370 -14.408 -18.504 -16.391 1.00 0.00 H new ATOM 0 HB ILE A 370 -17.358 -19.144 -15.961 1.00 0.00 H new ATOM 0 HG12 ILE A 370 -16.161 -18.893 -13.839 1.00 0.00 H new ATOM 0 HG13 ILE A 370 -16.600 -20.565 -14.124 1.00 0.00 H new ATOM 0 HG21 ILE A 370 -16.687 -21.461 -16.460 1.00 0.00 H new ATOM 0 HG22 ILE A 370 -16.380 -20.376 -17.837 1.00 0.00 H new ATOM 0 HG23 ILE A 370 -15.031 -20.904 -16.803 1.00 0.00 H new ATOM 0 HD11 ILE A 370 -14.333 -20.397 -13.223 1.00 0.00 H new ATOM 0 HD12 ILE A 370 -14.301 -21.056 -14.876 1.00 0.00 H new ATOM 0 HD13 ILE A 370 -13.855 -19.358 -14.587 1.00 0.00 H new ATOM 194 N PHE A 371 -15.181 -18.465 -18.802 1.00 0.00 N ATOM 195 CA PHE A 371 -15.475 -18.217 -20.208 1.00 0.00 C ATOM 196 C PHE A 371 -15.659 -19.530 -20.965 1.00 0.00 C ATOM 197 O PHE A 371 -14.909 -20.485 -20.763 1.00 0.00 O ATOM 198 CB PHE A 371 -14.353 -17.399 -20.850 1.00 0.00 C ATOM 199 CG PHE A 371 -14.249 -16.000 -20.313 1.00 0.00 C ATOM 200 CD1 PHE A 371 -13.711 -15.764 -19.058 1.00 0.00 C ATOM 201 CD2 PHE A 371 -14.687 -14.921 -21.063 1.00 0.00 C ATOM 202 CE1 PHE A 371 -13.615 -14.478 -18.561 1.00 0.00 C ATOM 203 CE2 PHE A 371 -14.593 -13.633 -20.572 1.00 0.00 C ATOM 204 CZ PHE A 371 -14.055 -13.411 -19.319 1.00 0.00 C ATOM 0 H PHE A 371 -14.413 -19.116 -18.640 1.00 0.00 H new ATOM 0 HA PHE A 371 -16.405 -17.651 -20.264 1.00 0.00 H new ATOM 0 HB2 PHE A 371 -13.404 -17.912 -20.692 1.00 0.00 H new ATOM 0 HB3 PHE A 371 -14.516 -17.355 -21.927 1.00 0.00 H new ATOM 0 HD1 PHE A 371 -13.363 -16.594 -18.462 1.00 0.00 H new ATOM 0 HD2 PHE A 371 -15.107 -15.089 -22.044 1.00 0.00 H new ATOM 0 HE1 PHE A 371 -13.196 -14.308 -17.580 1.00 0.00 H new ATOM 0 HE2 PHE A 371 -14.940 -12.801 -21.167 1.00 0.00 H new ATOM 0 HZ PHE A 371 -13.979 -12.405 -18.933 1.00 0.00 H new ATOM 214 N ARG A 372 -16.663 -19.569 -21.835 1.00 0.00 N ATOM 215 CA ARG A 372 -16.947 -20.764 -22.620 1.00 0.00 C ATOM 216 C ARG A 372 -15.825 -21.040 -23.616 1.00 0.00 C ATOM 217 O ARG A 372 -15.546 -22.192 -23.948 1.00 0.00 O ATOM 218 CB ARG A 372 -18.276 -20.608 -23.362 1.00 0.00 C ATOM 219 CG ARG A 372 -18.245 -19.546 -24.450 1.00 0.00 C ATOM 220 CD ARG A 372 -19.648 -19.145 -24.877 1.00 0.00 C ATOM 221 NE ARG A 372 -20.194 -20.051 -25.883 1.00 0.00 N ATOM 222 CZ ARG A 372 -19.761 -20.102 -27.138 1.00 0.00 C ATOM 223 NH1 ARG A 372 -18.781 -19.304 -27.538 1.00 0.00 N ATOM 224 NH2 ARG A 372 -20.309 -20.954 -27.996 1.00 0.00 N ATOM 0 H ARG A 372 -17.293 -18.787 -22.014 1.00 0.00 H new ATOM 0 HA ARG A 372 -17.017 -21.610 -21.936 1.00 0.00 H new ATOM 0 HB2 ARG A 372 -18.548 -21.565 -23.808 1.00 0.00 H new ATOM 0 HB3 ARG A 372 -19.056 -20.357 -22.643 1.00 0.00 H new ATOM 0 HG2 ARG A 372 -17.709 -18.669 -24.088 1.00 0.00 H new ATOM 0 HG3 ARG A 372 -17.695 -19.923 -25.312 1.00 0.00 H new ATOM 0 HD2 ARG A 372 -20.303 -19.134 -24.006 1.00 0.00 H new ATOM 0 HD3 ARG A 372 -19.630 -18.130 -25.275 1.00 0.00 H new ATOM 0 HE ARG A 372 -20.949 -20.679 -25.607 1.00 0.00 H new ATOM 0 HH11 ARG A 372 -18.357 -18.648 -26.882 1.00 0.00 H new ATOM 0 HH12 ARG A 372 -18.451 -19.346 -28.502 1.00 0.00 H new ATOM 0 HH21 ARG A 372 -21.063 -21.570 -27.692 1.00 0.00 H new ATOM 0 HH22 ARG A 372 -19.976 -20.993 -28.959 1.00 0.00 H new ATOM 238 N ASP A 373 -15.186 -19.976 -24.088 1.00 0.00 N ATOM 239 CA ASP A 373 -14.093 -20.103 -25.046 1.00 0.00 C ATOM 240 C ASP A 373 -12.933 -19.185 -24.672 1.00 0.00 C ATOM 241 O ASP A 373 -13.129 -18.139 -24.053 1.00 0.00 O ATOM 242 CB ASP A 373 -14.583 -19.776 -26.458 1.00 0.00 C ATOM 243 CG ASP A 373 -15.098 -20.999 -27.189 1.00 0.00 C ATOM 244 OD1 ASP A 373 -16.099 -21.589 -26.729 1.00 0.00 O ATOM 245 OD2 ASP A 373 -14.502 -21.367 -28.223 1.00 0.00 O ATOM 0 H ASP A 373 -15.405 -19.016 -23.823 1.00 0.00 H new ATOM 0 HA ASP A 373 -13.740 -21.134 -25.022 1.00 0.00 H new ATOM 0 HB2 ASP A 373 -15.376 -19.030 -26.401 1.00 0.00 H new ATOM 0 HB3 ASP A 373 -13.768 -19.332 -27.029 1.00 0.00 H new ATOM 250 N VAL A 374 -11.723 -19.585 -25.051 1.00 0.00 N ATOM 251 CA VAL A 374 -10.531 -18.799 -24.755 1.00 0.00 C ATOM 252 C VAL A 374 -10.474 -17.543 -25.616 1.00 0.00 C ATOM 253 O VAL A 374 -9.926 -16.520 -25.205 1.00 0.00 O ATOM 254 CB VAL A 374 -9.248 -19.621 -24.979 1.00 0.00 C ATOM 255 CG1 VAL A 374 -8.016 -18.779 -24.682 1.00 0.00 C ATOM 256 CG2 VAL A 374 -9.264 -20.878 -24.122 1.00 0.00 C ATOM 0 H VAL A 374 -11.543 -20.448 -25.563 1.00 0.00 H new ATOM 0 HA VAL A 374 -10.592 -18.513 -23.705 1.00 0.00 H new ATOM 0 HB VAL A 374 -9.209 -19.923 -26.026 1.00 0.00 H new ATOM 0 HG11 VAL A 374 -7.119 -19.376 -24.846 1.00 0.00 H new ATOM 0 HG12 VAL A 374 -8.000 -17.912 -25.342 1.00 0.00 H new ATOM 0 HG13 VAL A 374 -8.045 -18.445 -23.645 1.00 0.00 H new ATOM 0 HG21 VAL A 374 -8.350 -21.447 -24.293 1.00 0.00 H new ATOM 0 HG22 VAL A 374 -9.327 -20.600 -23.070 1.00 0.00 H new ATOM 0 HG23 VAL A 374 -10.127 -21.489 -24.388 1.00 0.00 H new ATOM 266 N TYR A 375 -11.043 -17.626 -26.813 1.00 0.00 N ATOM 267 CA TYR A 375 -11.055 -16.496 -27.735 1.00 0.00 C ATOM 268 C TYR A 375 -11.738 -15.286 -27.103 1.00 0.00 C ATOM 269 O TYR A 375 -11.316 -14.147 -27.303 1.00 0.00 O ATOM 270 CB TYR A 375 -11.768 -16.877 -29.033 1.00 0.00 C ATOM 271 CG TYR A 375 -10.827 -17.306 -30.137 1.00 0.00 C ATOM 272 CD1 TYR A 375 -9.774 -18.175 -29.881 1.00 0.00 C ATOM 273 CD2 TYR A 375 -10.992 -16.842 -31.436 1.00 0.00 C ATOM 274 CE1 TYR A 375 -8.912 -18.569 -30.886 1.00 0.00 C ATOM 275 CE2 TYR A 375 -10.136 -17.231 -32.448 1.00 0.00 C ATOM 276 CZ TYR A 375 -9.097 -18.094 -32.168 1.00 0.00 C ATOM 277 OH TYR A 375 -8.241 -18.484 -33.172 1.00 0.00 O ATOM 0 H TYR A 375 -11.502 -18.465 -27.168 1.00 0.00 H new ATOM 0 HA TYR A 375 -10.022 -16.232 -27.960 1.00 0.00 H new ATOM 0 HB2 TYR A 375 -12.468 -17.687 -28.829 1.00 0.00 H new ATOM 0 HB3 TYR A 375 -12.356 -16.026 -29.378 1.00 0.00 H new ATOM 0 HD1 TYR A 375 -9.627 -18.549 -28.879 1.00 0.00 H new ATOM 0 HD2 TYR A 375 -11.804 -16.165 -31.659 1.00 0.00 H new ATOM 0 HE1 TYR A 375 -8.098 -19.245 -30.669 1.00 0.00 H new ATOM 0 HE2 TYR A 375 -10.279 -16.862 -33.453 1.00 0.00 H new ATOM 0 HH TYR A 375 -8.510 -18.061 -34.014 1.00 0.00 H new ATOM 287 N HIS A 376 -12.795 -15.543 -26.340 1.00 0.00 N ATOM 288 CA HIS A 376 -13.537 -14.476 -25.677 1.00 0.00 C ATOM 289 C HIS A 376 -12.802 -13.998 -24.429 1.00 0.00 C ATOM 290 O HIS A 376 -12.950 -12.849 -24.010 1.00 0.00 O ATOM 291 CB HIS A 376 -14.940 -14.956 -25.305 1.00 0.00 C ATOM 292 CG HIS A 376 -15.991 -14.559 -26.296 1.00 0.00 C ATOM 293 ND1 HIS A 376 -16.130 -13.271 -26.770 1.00 0.00 N ATOM 294 CD2 HIS A 376 -16.956 -15.288 -26.902 1.00 0.00 C ATOM 295 CE1 HIS A 376 -17.136 -13.226 -27.625 1.00 0.00 C ATOM 296 NE2 HIS A 376 -17.654 -14.437 -27.723 1.00 0.00 N ATOM 0 H HIS A 376 -13.157 -16.480 -26.165 1.00 0.00 H new ATOM 0 HA HIS A 376 -13.620 -13.640 -26.371 1.00 0.00 H new ATOM 0 HB2 HIS A 376 -14.931 -16.042 -25.213 1.00 0.00 H new ATOM 0 HB3 HIS A 376 -15.205 -14.555 -24.327 1.00 0.00 H new ATOM 0 HD2 HIS A 376 -17.143 -16.343 -26.765 1.00 0.00 H new ATOM 0 HE1 HIS A 376 -17.477 -12.348 -28.154 1.00 0.00 H new ATOM 0 HE2 HIS A 376 -18.444 -14.698 -28.313 1.00 0.00 H new ATOM 304 N LEU A 377 -12.011 -14.887 -23.837 1.00 0.00 N ATOM 305 CA LEU A 377 -11.253 -14.556 -22.635 1.00 0.00 C ATOM 306 C LEU A 377 -10.106 -13.604 -22.959 1.00 0.00 C ATOM 307 O LEU A 377 -9.684 -12.815 -22.115 1.00 0.00 O ATOM 308 CB LEU A 377 -10.706 -15.829 -21.988 1.00 0.00 C ATOM 309 CG LEU A 377 -9.706 -15.627 -20.849 1.00 0.00 C ATOM 310 CD1 LEU A 377 -10.391 -15.009 -19.640 1.00 0.00 C ATOM 311 CD2 LEU A 377 -9.048 -16.947 -20.475 1.00 0.00 C ATOM 0 H LEU A 377 -11.878 -15.842 -24.170 1.00 0.00 H new ATOM 0 HA LEU A 377 -11.926 -14.060 -21.936 1.00 0.00 H new ATOM 0 HB2 LEU A 377 -11.547 -16.409 -21.608 1.00 0.00 H new ATOM 0 HB3 LEU A 377 -10.228 -16.429 -22.762 1.00 0.00 H new ATOM 0 HG LEU A 377 -8.930 -14.942 -21.191 1.00 0.00 H new ATOM 0 HD11 LEU A 377 -9.664 -14.873 -18.840 1.00 0.00 H new ATOM 0 HD12 LEU A 377 -10.813 -14.042 -19.915 1.00 0.00 H new ATOM 0 HD13 LEU A 377 -11.188 -15.668 -19.297 1.00 0.00 H new ATOM 0 HD21 LEU A 377 -8.340 -16.783 -19.663 1.00 0.00 H new ATOM 0 HD22 LEU A 377 -9.811 -17.656 -20.153 1.00 0.00 H new ATOM 0 HD23 LEU A 377 -8.521 -17.349 -21.340 1.00 0.00 H new ATOM 323 N ASN A 378 -9.608 -13.682 -24.189 1.00 0.00 N ATOM 324 CA ASN A 378 -8.511 -12.826 -24.625 1.00 0.00 C ATOM 325 C ASN A 378 -8.933 -11.360 -24.627 1.00 0.00 C ATOM 326 O ASN A 378 -8.300 -10.520 -23.986 1.00 0.00 O ATOM 327 CB ASN A 378 -8.042 -13.235 -26.023 1.00 0.00 C ATOM 328 CG ASN A 378 -6.549 -13.043 -26.211 1.00 0.00 C ATOM 329 OD1 ASN A 378 -5.757 -13.945 -25.937 1.00 0.00 O ATOM 330 ND2 ASN A 378 -6.159 -11.864 -26.680 1.00 0.00 N ATOM 0 H ASN A 378 -9.947 -14.329 -24.901 1.00 0.00 H new ATOM 0 HA ASN A 378 -7.687 -12.948 -23.922 1.00 0.00 H new ATOM 0 HB2 ASN A 378 -8.296 -14.281 -26.197 1.00 0.00 H new ATOM 0 HB3 ASN A 378 -8.578 -12.648 -26.769 1.00 0.00 H new ATOM 0 HD21 ASN A 378 -5.167 -11.676 -26.827 1.00 0.00 H new ATOM 0 HD22 ASN A 378 -6.851 -11.146 -26.893 1.00 0.00 H new ATOM 337 N ARG A 379 -10.006 -11.060 -25.351 1.00 0.00 N ATOM 338 CA ARG A 379 -10.513 -9.695 -25.437 1.00 0.00 C ATOM 339 C ARG A 379 -10.786 -9.128 -24.047 1.00 0.00 C ATOM 340 O ARG A 379 -10.614 -7.933 -23.807 1.00 0.00 O ATOM 341 CB ARG A 379 -11.791 -9.655 -26.276 1.00 0.00 C ATOM 342 CG ARG A 379 -11.607 -10.178 -27.691 1.00 0.00 C ATOM 343 CD ARG A 379 -12.491 -9.434 -28.680 1.00 0.00 C ATOM 344 NE ARG A 379 -12.032 -9.598 -30.056 1.00 0.00 N ATOM 345 CZ ARG A 379 -11.008 -8.928 -30.574 1.00 0.00 C ATOM 346 NH1 ARG A 379 -10.340 -8.055 -29.834 1.00 0.00 N ATOM 347 NH2 ARG A 379 -10.650 -9.133 -31.835 1.00 0.00 N ATOM 0 H ARG A 379 -10.541 -11.743 -25.887 1.00 0.00 H new ATOM 0 HA ARG A 379 -9.752 -9.081 -25.918 1.00 0.00 H new ATOM 0 HB2 ARG A 379 -12.561 -10.243 -25.778 1.00 0.00 H new ATOM 0 HB3 ARG A 379 -12.154 -8.628 -26.322 1.00 0.00 H new ATOM 0 HG2 ARG A 379 -10.563 -10.074 -27.985 1.00 0.00 H new ATOM 0 HG3 ARG A 379 -11.842 -11.242 -27.720 1.00 0.00 H new ATOM 0 HD2 ARG A 379 -13.515 -9.796 -28.594 1.00 0.00 H new ATOM 0 HD3 ARG A 379 -12.506 -8.374 -28.427 1.00 0.00 H new ATOM 0 HE ARG A 379 -12.524 -10.263 -30.652 1.00 0.00 H new ATOM 0 HH11 ARG A 379 -10.611 -7.896 -28.864 1.00 0.00 H new ATOM 0 HH12 ARG A 379 -9.554 -7.542 -30.235 1.00 0.00 H new ATOM 0 HH21 ARG A 379 -11.161 -9.805 -32.407 1.00 0.00 H new ATOM 0 HH22 ARG A 379 -9.864 -8.618 -32.232 1.00 0.00 H new ATOM 361 N HIS A 380 -11.214 -9.994 -23.134 1.00 0.00 N ATOM 362 CA HIS A 380 -11.511 -9.580 -21.767 1.00 0.00 C ATOM 363 C HIS A 380 -10.237 -9.177 -21.032 1.00 0.00 C ATOM 364 O HIS A 380 -10.166 -8.105 -20.431 1.00 0.00 O ATOM 365 CB HIS A 380 -12.215 -10.708 -21.012 1.00 0.00 C ATOM 366 CG HIS A 380 -12.409 -10.422 -19.554 1.00 0.00 C ATOM 367 ND1 HIS A 380 -13.400 -9.591 -19.076 1.00 0.00 N ATOM 368 CD2 HIS A 380 -11.734 -10.865 -18.468 1.00 0.00 C ATOM 369 CE1 HIS A 380 -13.324 -9.532 -17.758 1.00 0.00 C ATOM 370 NE2 HIS A 380 -12.322 -10.298 -17.364 1.00 0.00 N ATOM 0 H HIS A 380 -11.363 -10.987 -23.316 1.00 0.00 H new ATOM 0 HA HIS A 380 -12.172 -8.715 -21.811 1.00 0.00 H new ATOM 0 HB2 HIS A 380 -13.187 -10.890 -21.471 1.00 0.00 H new ATOM 0 HB3 HIS A 380 -11.635 -11.624 -21.120 1.00 0.00 H new ATOM 0 HD2 HIS A 380 -10.890 -11.539 -18.469 1.00 0.00 H new ATOM 0 HE1 HIS A 380 -13.971 -8.956 -17.113 1.00 0.00 H new ATOM 0 HE2 HIS A 380 -12.032 -10.444 -16.397 1.00 0.00 H new ATOM 378 N LYS A 381 -9.231 -10.044 -21.083 1.00 0.00 N ATOM 379 CA LYS A 381 -7.958 -9.779 -20.423 1.00 0.00 C ATOM 380 C LYS A 381 -7.390 -8.432 -20.856 1.00 0.00 C ATOM 381 O LYS A 381 -6.718 -7.751 -20.080 1.00 0.00 O ATOM 382 CB LYS A 381 -6.956 -10.892 -20.737 1.00 0.00 C ATOM 383 CG LYS A 381 -7.325 -12.234 -20.128 1.00 0.00 C ATOM 384 CD LYS A 381 -6.580 -13.375 -20.799 1.00 0.00 C ATOM 385 CE LYS A 381 -6.241 -14.478 -19.808 1.00 0.00 C ATOM 386 NZ LYS A 381 -5.130 -15.341 -20.297 1.00 0.00 N ATOM 0 H LYS A 381 -9.273 -10.937 -21.575 1.00 0.00 H new ATOM 0 HA LYS A 381 -8.134 -9.750 -19.348 1.00 0.00 H new ATOM 0 HB2 LYS A 381 -6.877 -11.003 -21.818 1.00 0.00 H new ATOM 0 HB3 LYS A 381 -5.972 -10.596 -20.374 1.00 0.00 H new ATOM 0 HG2 LYS A 381 -7.096 -12.226 -19.062 1.00 0.00 H new ATOM 0 HG3 LYS A 381 -8.399 -12.394 -20.222 1.00 0.00 H new ATOM 0 HD2 LYS A 381 -7.188 -13.784 -21.606 1.00 0.00 H new ATOM 0 HD3 LYS A 381 -5.663 -12.996 -21.251 1.00 0.00 H new ATOM 0 HE2 LYS A 381 -5.962 -14.034 -18.852 1.00 0.00 H new ATOM 0 HE3 LYS A 381 -7.125 -15.090 -19.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 -4.929 -16.080 -19.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 -5.405 -15.785 -21.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 -4.279 -14.762 -20.443 1.00 0.00 H new ATOM 400 N LEU A 382 -7.665 -8.052 -22.099 1.00 0.00 N ATOM 401 CA LEU A 382 -7.182 -6.784 -22.636 1.00 0.00 C ATOM 402 C LEU A 382 -7.904 -5.608 -21.986 1.00 0.00 C ATOM 403 O LEU A 382 -7.324 -4.538 -21.799 1.00 0.00 O ATOM 404 CB LEU A 382 -7.378 -6.742 -24.152 1.00 0.00 C ATOM 405 CG LEU A 382 -6.297 -7.429 -24.988 1.00 0.00 C ATOM 406 CD1 LEU A 382 -6.910 -8.097 -26.208 1.00 0.00 C ATOM 407 CD2 LEU A 382 -5.229 -6.428 -25.405 1.00 0.00 C ATOM 0 H LEU A 382 -8.220 -8.603 -22.754 1.00 0.00 H new ATOM 0 HA LEU A 382 -6.119 -6.704 -22.411 1.00 0.00 H new ATOM 0 HB2 LEU A 382 -8.338 -7.202 -24.387 1.00 0.00 H new ATOM 0 HB3 LEU A 382 -7.440 -5.699 -24.461 1.00 0.00 H new ATOM 0 HG LEU A 382 -5.826 -8.199 -24.377 1.00 0.00 H new ATOM 0 HD11 LEU A 382 -6.126 -8.580 -26.791 1.00 0.00 H new ATOM 0 HD12 LEU A 382 -7.637 -8.844 -25.887 1.00 0.00 H new ATOM 0 HD13 LEU A 382 -7.408 -7.347 -26.822 1.00 0.00 H new ATOM 0 HD21 LEU A 382 -4.468 -6.934 -25.999 1.00 0.00 H new ATOM 0 HD22 LEU A 382 -5.685 -5.636 -25.999 1.00 0.00 H new ATOM 0 HD23 LEU A 382 -4.768 -5.996 -24.517 1.00 0.00 H new ATOM 480 N LYS A 388 -3.650 4.413 -18.039 1.00 0.00 N ATOM 481 CA LYS A 388 -4.089 5.573 -17.273 1.00 0.00 C ATOM 482 C LYS A 388 -3.746 5.411 -15.796 1.00 0.00 C ATOM 483 O LYS A 388 -3.524 4.305 -15.303 1.00 0.00 O ATOM 484 CB LYS A 388 -5.597 5.777 -17.438 1.00 0.00 C ATOM 485 CG LYS A 388 -6.374 4.480 -17.587 1.00 0.00 C ATOM 486 CD LYS A 388 -7.874 4.722 -17.560 1.00 0.00 C ATOM 487 CE LYS A 388 -8.520 4.364 -18.890 1.00 0.00 C ATOM 488 NZ LYS A 388 -10.007 4.390 -18.808 1.00 0.00 N ATOM 0 HA LYS A 388 -3.566 6.449 -17.655 1.00 0.00 H new ATOM 0 HB2 LYS A 388 -5.978 6.322 -16.574 1.00 0.00 H new ATOM 0 HB3 LYS A 388 -5.777 6.401 -18.313 1.00 0.00 H new ATOM 0 HG2 LYS A 388 -6.099 3.996 -18.524 1.00 0.00 H new ATOM 0 HG3 LYS A 388 -6.100 3.796 -16.783 1.00 0.00 H new ATOM 0 HD2 LYS A 388 -8.325 4.130 -16.764 1.00 0.00 H new ATOM 0 HD3 LYS A 388 -8.071 5.769 -17.329 1.00 0.00 H new ATOM 0 HE2 LYS A 388 -8.186 5.064 -19.656 1.00 0.00 H new ATOM 0 HE3 LYS A 388 -8.190 3.372 -19.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 388 -10.410 4.141 -19.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 388 -10.327 3.704 -18.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 388 -10.323 5.343 -18.538 1.00 0.00 H new ATOM 502 N PRO A 389 -3.702 6.538 -15.070 1.00 0.00 N ATOM 503 CA PRO A 389 -3.964 7.861 -15.646 1.00 0.00 C ATOM 504 C PRO A 389 -2.856 8.310 -16.593 1.00 0.00 C ATOM 505 O PRO A 389 -3.123 8.896 -17.642 1.00 0.00 O ATOM 506 CB PRO A 389 -4.024 8.776 -14.420 1.00 0.00 C ATOM 507 CG PRO A 389 -3.204 8.081 -13.388 1.00 0.00 C ATOM 508 CD PRO A 389 -3.393 6.609 -13.632 1.00 0.00 C ATOM 0 HA PRO A 389 -4.873 7.872 -16.247 1.00 0.00 H new ATOM 0 HB2 PRO A 389 -3.624 9.765 -14.644 1.00 0.00 H new ATOM 0 HB3 PRO A 389 -5.050 8.917 -14.081 1.00 0.00 H new ATOM 0 HG2 PRO A 389 -2.153 8.359 -13.472 1.00 0.00 H new ATOM 0 HG3 PRO A 389 -3.527 8.355 -12.384 1.00 0.00 H new ATOM 0 HD2 PRO A 389 -2.495 6.042 -13.386 1.00 0.00 H new ATOM 0 HD3 PRO A 389 -4.203 6.202 -13.026 1.00 0.00 H new ATOM 516 N TYR A 390 -1.613 8.032 -16.216 1.00 0.00 N ATOM 517 CA TYR A 390 -0.464 8.410 -17.031 1.00 0.00 C ATOM 518 C TYR A 390 0.389 7.191 -17.368 1.00 0.00 C ATOM 519 O TYR A 390 1.231 6.770 -16.574 1.00 0.00 O ATOM 520 CB TYR A 390 0.383 9.454 -16.302 1.00 0.00 C ATOM 521 CG TYR A 390 -0.430 10.567 -15.681 1.00 0.00 C ATOM 522 CD1 TYR A 390 -0.872 11.641 -16.443 1.00 0.00 C ATOM 523 CD2 TYR A 390 -0.757 10.544 -14.330 1.00 0.00 C ATOM 524 CE1 TYR A 390 -1.614 12.660 -15.880 1.00 0.00 C ATOM 525 CE2 TYR A 390 -1.500 11.559 -13.758 1.00 0.00 C ATOM 526 CZ TYR A 390 -1.926 12.615 -14.537 1.00 0.00 C ATOM 527 OH TYR A 390 -2.666 13.627 -13.972 1.00 0.00 O ATOM 0 H TYR A 390 -1.375 7.546 -15.351 1.00 0.00 H new ATOM 0 HA TYR A 390 -0.836 8.839 -17.962 1.00 0.00 H new ATOM 0 HB2 TYR A 390 0.962 8.960 -15.522 1.00 0.00 H new ATOM 0 HB3 TYR A 390 1.097 9.885 -17.004 1.00 0.00 H new ATOM 0 HD1 TYR A 390 -0.631 11.680 -17.495 1.00 0.00 H new ATOM 0 HD2 TYR A 390 -0.425 9.719 -13.717 1.00 0.00 H new ATOM 0 HE1 TYR A 390 -1.948 13.488 -16.488 1.00 0.00 H new ATOM 0 HE2 TYR A 390 -1.746 11.526 -12.707 1.00 0.00 H new ATOM 0 HH TYR A 390 -2.799 13.442 -13.019 1.00 0.00 H new ATOM 537 N SER A 391 0.165 6.629 -18.551 1.00 0.00 N ATOM 538 CA SER A 391 0.911 5.456 -18.994 1.00 0.00 C ATOM 539 C SER A 391 1.806 5.798 -20.182 1.00 0.00 C ATOM 540 O SER A 391 1.553 6.760 -20.908 1.00 0.00 O ATOM 541 CB SER A 391 -0.050 4.328 -19.373 1.00 0.00 C ATOM 542 OG SER A 391 0.559 3.420 -20.275 1.00 0.00 O ATOM 0 H SER A 391 -0.527 6.966 -19.220 1.00 0.00 H new ATOM 0 HA SER A 391 1.542 5.124 -18.170 1.00 0.00 H new ATOM 0 HB2 SER A 391 -0.365 3.797 -18.475 1.00 0.00 H new ATOM 0 HB3 SER A 391 -0.948 4.748 -19.826 1.00 0.00 H new ATOM 0 HG SER A 391 1.192 2.851 -19.789 1.00 0.00 H new ATOM 548 N CYS A 392 2.853 5.003 -20.373 1.00 0.00 N ATOM 549 CA CYS A 392 3.787 5.219 -21.471 1.00 0.00 C ATOM 550 C CYS A 392 3.252 4.618 -22.767 1.00 0.00 C ATOM 551 O CYS A 392 2.847 3.456 -22.821 1.00 0.00 O ATOM 552 CB CYS A 392 5.149 4.608 -21.137 1.00 0.00 C ATOM 553 SG CYS A 392 6.489 5.121 -22.260 1.00 0.00 S ATOM 0 H CYS A 392 3.076 4.203 -19.781 1.00 0.00 H new ATOM 0 HA CYS A 392 3.902 6.294 -21.610 1.00 0.00 H new ATOM 0 HB2 CYS A 392 5.419 4.883 -20.117 1.00 0.00 H new ATOM 0 HB3 CYS A 392 5.064 3.522 -21.162 1.00 0.00 H new ATOM 0 HG CYS A 392 7.384 4.181 -22.325 1.00 0.00 H new ATOM 558 N PRO A 393 3.249 5.426 -23.838 1.00 0.00 N ATOM 559 CA PRO A 393 2.767 4.996 -25.153 1.00 0.00 C ATOM 560 C PRO A 393 3.693 3.975 -25.805 1.00 0.00 C ATOM 561 O PRO A 393 3.290 3.243 -26.709 1.00 0.00 O ATOM 562 CB PRO A 393 2.745 6.293 -25.965 1.00 0.00 C ATOM 563 CG PRO A 393 3.757 7.168 -25.309 1.00 0.00 C ATOM 564 CD PRO A 393 3.716 6.823 -23.846 1.00 0.00 C ATOM 0 HA PRO A 393 1.798 4.501 -25.089 1.00 0.00 H new ATOM 0 HB2 PRO A 393 2.997 6.110 -27.010 1.00 0.00 H new ATOM 0 HB3 PRO A 393 1.756 6.752 -25.951 1.00 0.00 H new ATOM 0 HG2 PRO A 393 4.750 6.995 -25.723 1.00 0.00 H new ATOM 0 HG3 PRO A 393 3.525 8.221 -25.468 1.00 0.00 H new ATOM 0 HD2 PRO A 393 4.698 6.921 -23.382 1.00 0.00 H new ATOM 0 HD3 PRO A 393 3.038 7.477 -23.298 1.00 0.00 H new ATOM 572 N VAL A 394 4.938 3.930 -25.339 1.00 0.00 N ATOM 573 CA VAL A 394 5.922 2.998 -25.876 1.00 0.00 C ATOM 574 C VAL A 394 5.925 1.691 -25.091 1.00 0.00 C ATOM 575 O VAL A 394 5.596 0.632 -25.626 1.00 0.00 O ATOM 576 CB VAL A 394 7.339 3.602 -25.852 1.00 0.00 C ATOM 577 CG1 VAL A 394 8.351 2.610 -26.403 1.00 0.00 C ATOM 578 CG2 VAL A 394 7.375 4.905 -26.637 1.00 0.00 C ATOM 0 H VAL A 394 5.288 4.528 -24.591 1.00 0.00 H new ATOM 0 HA VAL A 394 5.638 2.798 -26.909 1.00 0.00 H new ATOM 0 HB VAL A 394 7.606 3.820 -24.818 1.00 0.00 H new ATOM 0 HG11 VAL A 394 9.346 3.054 -26.378 1.00 0.00 H new ATOM 0 HG12 VAL A 394 8.342 1.705 -25.795 1.00 0.00 H new ATOM 0 HG13 VAL A 394 8.091 2.359 -27.431 1.00 0.00 H new ATOM 0 HG21 VAL A 394 8.383 5.318 -26.610 1.00 0.00 H new ATOM 0 HG22 VAL A 394 7.089 4.715 -27.671 1.00 0.00 H new ATOM 0 HG23 VAL A 394 6.679 5.617 -26.193 1.00 0.00 H new ATOM 588 N CYS A 395 6.299 1.772 -23.818 1.00 0.00 N ATOM 589 CA CYS A 395 6.346 0.597 -22.958 1.00 0.00 C ATOM 590 C CYS A 395 4.940 0.080 -22.666 1.00 0.00 C ATOM 591 O CYS A 395 4.552 -0.992 -23.130 1.00 0.00 O ATOM 592 CB CYS A 395 7.061 0.926 -21.646 1.00 0.00 C ATOM 593 SG CYS A 395 8.636 1.816 -21.863 1.00 0.00 S ATOM 0 H CYS A 395 6.574 2.641 -23.360 1.00 0.00 H new ATOM 0 HA CYS A 395 6.901 -0.182 -23.481 1.00 0.00 H new ATOM 0 HB2 CYS A 395 6.398 1.528 -21.024 1.00 0.00 H new ATOM 0 HB3 CYS A 395 7.251 -0.001 -21.105 1.00 0.00 H new ATOM 0 HG CYS A 395 8.761 2.711 -20.929 1.00 0.00 H new ATOM 598 N GLY A 396 4.180 0.850 -21.893 1.00 0.00 N ATOM 599 CA GLY A 396 2.826 0.454 -21.553 1.00 0.00 C ATOM 600 C GLY A 396 2.556 0.531 -20.064 1.00 0.00 C ATOM 601 O GLY A 396 1.410 0.423 -19.626 1.00 0.00 O ATOM 0 H GLY A 396 4.478 1.741 -21.496 1.00 0.00 H new ATOM 0 HA2 GLY A 396 2.120 1.095 -22.081 1.00 0.00 H new ATOM 0 HA3 GLY A 396 2.651 -0.565 -21.899 1.00 0.00 H new ATOM 605 N LEU A 397 3.614 0.716 -19.282 1.00 0.00 N ATOM 606 CA LEU A 397 3.487 0.805 -17.831 1.00 0.00 C ATOM 607 C LEU A 397 2.458 1.861 -17.439 1.00 0.00 C ATOM 608 O LEU A 397 2.070 2.697 -18.254 1.00 0.00 O ATOM 609 CB LEU A 397 4.840 1.137 -17.200 1.00 0.00 C ATOM 610 CG LEU A 397 5.660 -0.055 -16.705 1.00 0.00 C ATOM 611 CD1 LEU A 397 7.038 -0.060 -17.349 1.00 0.00 C ATOM 612 CD2 LEU A 397 5.779 -0.028 -15.188 1.00 0.00 C ATOM 0 H LEU A 397 4.569 0.807 -19.628 1.00 0.00 H new ATOM 0 HA LEU A 397 3.148 -0.162 -17.461 1.00 0.00 H new ATOM 0 HB2 LEU A 397 5.435 1.683 -17.932 1.00 0.00 H new ATOM 0 HB3 LEU A 397 4.671 1.810 -16.360 1.00 0.00 H new ATOM 0 HG LEU A 397 5.143 -0.971 -16.993 1.00 0.00 H new ATOM 0 HD11 LEU A 397 7.607 -0.915 -16.985 1.00 0.00 H new ATOM 0 HD12 LEU A 397 6.933 -0.129 -18.432 1.00 0.00 H new ATOM 0 HD13 LEU A 397 7.563 0.860 -17.093 1.00 0.00 H new ATOM 0 HD21 LEU A 397 6.366 -0.884 -14.854 1.00 0.00 H new ATOM 0 HD22 LEU A 397 6.272 0.893 -14.878 1.00 0.00 H new ATOM 0 HD23 LEU A 397 4.785 -0.074 -14.744 1.00 0.00 H new ATOM 624 N ARG A 398 2.021 1.816 -16.184 1.00 0.00 N ATOM 625 CA ARG A 398 1.038 2.769 -15.683 1.00 0.00 C ATOM 626 C ARG A 398 1.608 3.578 -14.521 1.00 0.00 C ATOM 627 O ARG A 398 2.201 3.022 -13.596 1.00 0.00 O ATOM 628 CB ARG A 398 -0.230 2.039 -15.237 1.00 0.00 C ATOM 629 CG ARG A 398 -1.072 1.521 -16.391 1.00 0.00 C ATOM 630 CD ARG A 398 -1.136 0.001 -16.396 1.00 0.00 C ATOM 631 NE ARG A 398 -1.079 -0.544 -17.750 1.00 0.00 N ATOM 632 CZ ARG A 398 -0.855 -1.826 -18.017 1.00 0.00 C ATOM 633 NH1 ARG A 398 -0.668 -2.690 -17.028 1.00 0.00 N ATOM 634 NH2 ARG A 398 -0.818 -2.246 -19.275 1.00 0.00 N ATOM 0 H ARG A 398 2.332 1.130 -15.496 1.00 0.00 H new ATOM 0 HA ARG A 398 0.788 3.455 -16.493 1.00 0.00 H new ATOM 0 HB2 ARG A 398 0.049 1.202 -14.597 1.00 0.00 H new ATOM 0 HB3 ARG A 398 -0.834 2.715 -14.632 1.00 0.00 H new ATOM 0 HG2 ARG A 398 -2.080 1.928 -16.319 1.00 0.00 H new ATOM 0 HG3 ARG A 398 -0.653 1.872 -17.334 1.00 0.00 H new ATOM 0 HD2 ARG A 398 -0.309 -0.399 -15.809 1.00 0.00 H new ATOM 0 HD3 ARG A 398 -2.057 -0.325 -15.912 1.00 0.00 H new ATOM 0 HE ARG A 398 -1.219 0.094 -18.533 1.00 0.00 H new ATOM 0 HH11 ARG A 398 -0.696 -2.371 -16.060 1.00 0.00 H new ATOM 0 HH12 ARG A 398 -0.496 -3.674 -17.236 1.00 0.00 H new ATOM 0 HH21 ARG A 398 -0.962 -1.584 -20.038 1.00 0.00 H new ATOM 0 HH22 ARG A 398 -0.646 -3.230 -19.479 1.00 0.00 H new ATOM 648 N PHE A 399 1.424 4.893 -14.576 1.00 0.00 N ATOM 649 CA PHE A 399 1.921 5.778 -13.529 1.00 0.00 C ATOM 650 C PHE A 399 0.805 6.676 -13.002 1.00 0.00 C ATOM 651 O PHE A 399 -0.014 7.183 -13.768 1.00 0.00 O ATOM 652 CB PHE A 399 3.072 6.634 -14.060 1.00 0.00 C ATOM 653 CG PHE A 399 4.144 5.838 -14.748 1.00 0.00 C ATOM 654 CD1 PHE A 399 5.080 5.130 -14.011 1.00 0.00 C ATOM 655 CD2 PHE A 399 4.215 5.796 -16.131 1.00 0.00 C ATOM 656 CE1 PHE A 399 6.068 4.397 -14.641 1.00 0.00 C ATOM 657 CE2 PHE A 399 5.201 5.064 -16.766 1.00 0.00 C ATOM 658 CZ PHE A 399 6.127 4.363 -16.020 1.00 0.00 C ATOM 0 H PHE A 399 0.935 5.369 -15.334 1.00 0.00 H new ATOM 0 HA PHE A 399 2.285 5.161 -12.708 1.00 0.00 H new ATOM 0 HB2 PHE A 399 2.674 7.371 -14.757 1.00 0.00 H new ATOM 0 HB3 PHE A 399 3.516 7.186 -13.231 1.00 0.00 H new ATOM 0 HD1 PHE A 399 5.037 5.151 -12.932 1.00 0.00 H new ATOM 0 HD2 PHE A 399 3.492 6.341 -16.720 1.00 0.00 H new ATOM 0 HE1 PHE A 399 6.793 3.851 -14.055 1.00 0.00 H new ATOM 0 HE2 PHE A 399 5.247 5.041 -17.845 1.00 0.00 H new ATOM 0 HZ PHE A 399 6.897 3.789 -16.514 1.00 0.00 H new ATOM 668 N LYS A 400 0.780 6.869 -11.688 1.00 0.00 N ATOM 669 CA LYS A 400 -0.232 7.705 -11.055 1.00 0.00 C ATOM 670 C LYS A 400 0.335 9.077 -10.707 1.00 0.00 C ATOM 671 O LYS A 400 -0.119 9.727 -9.765 1.00 0.00 O ATOM 672 CB LYS A 400 -0.768 7.027 -9.792 1.00 0.00 C ATOM 673 CG LYS A 400 -2.282 6.912 -9.759 1.00 0.00 C ATOM 674 CD LYS A 400 -2.732 5.461 -9.796 1.00 0.00 C ATOM 675 CE LYS A 400 -3.091 4.954 -8.408 1.00 0.00 C ATOM 676 NZ LYS A 400 -2.470 3.630 -8.123 1.00 0.00 N ATOM 0 H LYS A 400 1.451 6.457 -11.040 1.00 0.00 H new ATOM 0 HA LYS A 400 -1.050 7.839 -11.763 1.00 0.00 H new ATOM 0 HB2 LYS A 400 -0.335 6.030 -9.713 1.00 0.00 H new ATOM 0 HB3 LYS A 400 -0.436 7.589 -8.919 1.00 0.00 H new ATOM 0 HG2 LYS A 400 -2.664 7.390 -8.857 1.00 0.00 H new ATOM 0 HG3 LYS A 400 -2.707 7.447 -10.608 1.00 0.00 H new ATOM 0 HD2 LYS A 400 -3.595 5.363 -10.455 1.00 0.00 H new ATOM 0 HD3 LYS A 400 -1.938 4.843 -10.216 1.00 0.00 H new ATOM 0 HE2 LYS A 400 -2.763 5.677 -7.661 1.00 0.00 H new ATOM 0 HE3 LYS A 400 -4.174 4.874 -8.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 400 -2.739 3.319 -7.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 400 -2.802 2.933 -8.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 400 -1.435 3.712 -8.182 1.00 0.00 H new ATOM 690 N ARG A 401 1.330 9.513 -11.473 1.00 0.00 N ATOM 691 CA ARG A 401 1.959 10.808 -11.245 1.00 0.00 C ATOM 692 C ARG A 401 2.505 11.385 -12.548 1.00 0.00 C ATOM 693 O ARG A 401 2.985 10.650 -13.412 1.00 0.00 O ATOM 694 CB ARG A 401 3.088 10.678 -10.220 1.00 0.00 C ATOM 695 CG ARG A 401 3.972 9.461 -10.440 1.00 0.00 C ATOM 696 CD ARG A 401 3.453 8.251 -9.679 1.00 0.00 C ATOM 697 NE ARG A 401 4.516 7.571 -8.943 1.00 0.00 N ATOM 698 CZ ARG A 401 5.360 6.709 -9.499 1.00 0.00 C ATOM 699 NH1 ARG A 401 5.266 6.424 -10.790 1.00 0.00 N ATOM 700 NH2 ARG A 401 6.300 6.131 -8.763 1.00 0.00 N ATOM 0 H ARG A 401 1.718 8.988 -12.257 1.00 0.00 H new ATOM 0 HA ARG A 401 1.201 11.488 -10.856 1.00 0.00 H new ATOM 0 HB2 ARG A 401 3.705 11.576 -10.255 1.00 0.00 H new ATOM 0 HB3 ARG A 401 2.656 10.627 -9.221 1.00 0.00 H new ATOM 0 HG2 ARG A 401 4.018 9.231 -11.504 1.00 0.00 H new ATOM 0 HG3 ARG A 401 4.989 9.686 -10.119 1.00 0.00 H new ATOM 0 HD2 ARG A 401 2.675 8.566 -8.984 1.00 0.00 H new ATOM 0 HD3 ARG A 401 2.992 7.553 -10.378 1.00 0.00 H new ATOM 0 HE ARG A 401 4.616 7.769 -7.947 1.00 0.00 H new ATOM 0 HH11 ARG A 401 4.544 6.867 -11.359 1.00 0.00 H new ATOM 0 HH12 ARG A 401 5.915 5.762 -11.215 1.00 0.00 H new ATOM 0 HH21 ARG A 401 6.375 6.348 -7.769 1.00 0.00 H new ATOM 0 HH22 ARG A 401 6.948 5.469 -9.191 1.00 0.00 H new ATOM 714 N LYS A 402 2.429 12.704 -12.683 1.00 0.00 N ATOM 715 CA LYS A 402 2.915 13.381 -13.879 1.00 0.00 C ATOM 716 C LYS A 402 4.387 13.753 -13.733 1.00 0.00 C ATOM 717 O LYS A 402 5.028 14.178 -14.695 1.00 0.00 O ATOM 718 CB LYS A 402 2.086 14.638 -14.153 1.00 0.00 C ATOM 719 CG LYS A 402 1.064 14.463 -15.263 1.00 0.00 C ATOM 720 CD LYS A 402 1.498 15.170 -16.536 1.00 0.00 C ATOM 721 CE LYS A 402 0.747 14.644 -17.749 1.00 0.00 C ATOM 722 NZ LYS A 402 1.367 15.098 -19.025 1.00 0.00 N ATOM 0 H LYS A 402 2.035 13.326 -11.978 1.00 0.00 H new ATOM 0 HA LYS A 402 2.812 12.695 -14.720 1.00 0.00 H new ATOM 0 HB2 LYS A 402 1.570 14.929 -13.238 1.00 0.00 H new ATOM 0 HB3 LYS A 402 2.757 15.456 -14.414 1.00 0.00 H new ATOM 0 HG2 LYS A 402 0.923 13.401 -15.465 1.00 0.00 H new ATOM 0 HG3 LYS A 402 0.101 14.856 -14.938 1.00 0.00 H new ATOM 0 HD2 LYS A 402 1.324 16.241 -16.436 1.00 0.00 H new ATOM 0 HD3 LYS A 402 2.569 15.033 -16.682 1.00 0.00 H new ATOM 0 HE2 LYS A 402 0.730 13.554 -17.721 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -0.289 14.980 -17.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 0.826 14.719 -19.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 1.361 16.137 -19.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 2.348 14.756 -19.076 1.00 0.00 H new ATOM 736 N ASP A 403 4.918 13.588 -12.527 1.00 0.00 N ATOM 737 CA ASP A 403 6.315 13.904 -12.256 1.00 0.00 C ATOM 738 C ASP A 403 7.223 12.751 -12.671 1.00 0.00 C ATOM 739 O ASP A 403 8.407 12.947 -12.946 1.00 0.00 O ATOM 740 CB ASP A 403 6.512 14.215 -10.771 1.00 0.00 C ATOM 741 CG ASP A 403 7.921 14.680 -10.459 1.00 0.00 C ATOM 742 OD1 ASP A 403 8.516 15.380 -11.304 1.00 0.00 O ATOM 743 OD2 ASP A 403 8.427 14.344 -9.368 1.00 0.00 O ATOM 0 H ASP A 403 4.401 13.237 -11.721 1.00 0.00 H new ATOM 0 HA ASP A 403 6.583 14.783 -12.842 1.00 0.00 H new ATOM 0 HB2 ASP A 403 5.803 14.985 -10.467 1.00 0.00 H new ATOM 0 HB3 ASP A 403 6.288 13.325 -10.183 1.00 0.00 H new ATOM 748 N ARG A 404 6.661 11.547 -12.714 1.00 0.00 N ATOM 749 CA ARG A 404 7.420 10.362 -13.093 1.00 0.00 C ATOM 750 C ARG A 404 7.299 10.095 -14.591 1.00 0.00 C ATOM 751 O ARG A 404 8.299 10.058 -15.307 1.00 0.00 O ATOM 752 CB ARG A 404 6.932 9.144 -12.306 1.00 0.00 C ATOM 753 CG ARG A 404 7.533 9.038 -10.914 1.00 0.00 C ATOM 754 CD ARG A 404 8.617 7.973 -10.854 1.00 0.00 C ATOM 755 NE ARG A 404 8.927 7.584 -9.481 1.00 0.00 N ATOM 756 CZ ARG A 404 9.565 8.371 -8.621 1.00 0.00 C ATOM 757 NH1 ARG A 404 9.958 9.582 -8.991 1.00 0.00 N ATOM 758 NH2 ARG A 404 9.811 7.946 -7.389 1.00 0.00 N ATOM 0 H ARG A 404 5.682 11.367 -12.491 1.00 0.00 H new ATOM 0 HA ARG A 404 8.469 10.542 -12.857 1.00 0.00 H new ATOM 0 HB2 ARG A 404 5.846 9.188 -12.221 1.00 0.00 H new ATOM 0 HB3 ARG A 404 7.172 8.240 -12.866 1.00 0.00 H new ATOM 0 HG2 ARG A 404 7.952 10.001 -10.623 1.00 0.00 H new ATOM 0 HG3 ARG A 404 6.749 8.801 -10.195 1.00 0.00 H new ATOM 0 HD2 ARG A 404 8.295 7.096 -11.415 1.00 0.00 H new ATOM 0 HD3 ARG A 404 9.520 8.347 -11.337 1.00 0.00 H new ATOM 0 HE ARG A 404 8.638 6.658 -9.165 1.00 0.00 H new ATOM 0 HH11 ARG A 404 9.771 9.912 -9.938 1.00 0.00 H new ATOM 0 HH12 ARG A 404 10.447 10.184 -8.329 1.00 0.00 H new ATOM 0 HH21 ARG A 404 9.510 7.015 -7.101 1.00 0.00 H new ATOM 0 HH22 ARG A 404 10.301 8.550 -6.729 1.00 0.00 H new ATOM 772 N MET A 405 6.068 9.910 -15.056 1.00 0.00 N ATOM 773 CA MET A 405 5.817 9.647 -16.468 1.00 0.00 C ATOM 774 C MET A 405 6.492 10.697 -17.345 1.00 0.00 C ATOM 775 O MET A 405 6.967 10.394 -18.440 1.00 0.00 O ATOM 776 CB MET A 405 4.313 9.626 -16.745 1.00 0.00 C ATOM 777 CG MET A 405 3.619 10.943 -16.439 1.00 0.00 C ATOM 778 SD MET A 405 3.456 11.997 -17.892 1.00 0.00 S ATOM 779 CE MET A 405 2.438 10.966 -18.945 1.00 0.00 C ATOM 0 H MET A 405 5.229 9.937 -14.476 1.00 0.00 H new ATOM 0 HA MET A 405 6.238 8.671 -16.710 1.00 0.00 H new ATOM 0 HB2 MET A 405 4.149 9.373 -17.792 1.00 0.00 H new ATOM 0 HB3 MET A 405 3.854 8.836 -16.151 1.00 0.00 H new ATOM 0 HG2 MET A 405 2.630 10.741 -16.029 1.00 0.00 H new ATOM 0 HG3 MET A 405 4.180 11.475 -15.671 1.00 0.00 H new ATOM 0 HE1 MET A 405 2.821 10.998 -19.965 1.00 0.00 H new ATOM 0 HE2 MET A 405 2.461 9.939 -18.581 1.00 0.00 H new ATOM 0 HE3 MET A 405 1.412 11.333 -18.931 1.00 0.00 H new ATOM 789 N SER A 406 6.532 11.933 -16.857 1.00 0.00 N ATOM 790 CA SER A 406 7.145 13.029 -17.598 1.00 0.00 C ATOM 791 C SER A 406 8.627 12.759 -17.838 1.00 0.00 C ATOM 792 O SER A 406 9.182 13.147 -18.867 1.00 0.00 O ATOM 793 CB SER A 406 6.971 14.346 -16.840 1.00 0.00 C ATOM 794 OG SER A 406 7.934 15.301 -17.249 1.00 0.00 O ATOM 0 H SER A 406 6.147 12.200 -15.951 1.00 0.00 H new ATOM 0 HA SER A 406 6.646 13.106 -18.564 1.00 0.00 H new ATOM 0 HB2 SER A 406 5.969 14.739 -17.012 1.00 0.00 H new ATOM 0 HB3 SER A 406 7.064 14.168 -15.769 1.00 0.00 H new ATOM 0 HG SER A 406 7.800 16.134 -16.751 1.00 0.00 H new ATOM 800 N TYR A 407 9.263 12.093 -16.881 1.00 0.00 N ATOM 801 CA TYR A 407 10.682 11.774 -16.986 1.00 0.00 C ATOM 802 C TYR A 407 10.886 10.410 -17.638 1.00 0.00 C ATOM 803 O TYR A 407 11.960 10.115 -18.165 1.00 0.00 O ATOM 804 CB TYR A 407 11.334 11.792 -15.602 1.00 0.00 C ATOM 805 CG TYR A 407 12.785 11.367 -15.611 1.00 0.00 C ATOM 806 CD1 TYR A 407 13.743 12.109 -16.292 1.00 0.00 C ATOM 807 CD2 TYR A 407 13.198 10.223 -14.939 1.00 0.00 C ATOM 808 CE1 TYR A 407 15.069 11.724 -16.303 1.00 0.00 C ATOM 809 CE2 TYR A 407 14.523 9.832 -14.944 1.00 0.00 C ATOM 810 CZ TYR A 407 15.455 10.585 -15.627 1.00 0.00 C ATOM 811 OH TYR A 407 16.775 10.198 -15.635 1.00 0.00 O ATOM 0 H TYR A 407 8.819 11.764 -16.024 1.00 0.00 H new ATOM 0 HA TYR A 407 11.153 12.531 -17.613 1.00 0.00 H new ATOM 0 HB2 TYR A 407 11.261 12.798 -15.188 1.00 0.00 H new ATOM 0 HB3 TYR A 407 10.775 11.133 -14.938 1.00 0.00 H new ATOM 0 HD1 TYR A 407 13.445 13.002 -16.822 1.00 0.00 H new ATOM 0 HD2 TYR A 407 12.471 9.630 -14.404 1.00 0.00 H new ATOM 0 HE1 TYR A 407 15.800 12.312 -16.838 1.00 0.00 H new ATOM 0 HE2 TYR A 407 14.828 8.941 -14.415 1.00 0.00 H new ATOM 0 HH TYR A 407 16.878 9.376 -15.111 1.00 0.00 H new ATOM 821 N HIS A 408 9.848 9.581 -17.600 1.00 0.00 N ATOM 822 CA HIS A 408 9.911 8.248 -18.188 1.00 0.00 C ATOM 823 C HIS A 408 9.692 8.309 -19.697 1.00 0.00 C ATOM 824 O HIS A 408 10.342 7.593 -20.458 1.00 0.00 O ATOM 825 CB HIS A 408 8.868 7.333 -17.545 1.00 0.00 C ATOM 826 CG HIS A 408 8.753 5.996 -18.209 1.00 0.00 C ATOM 827 ND1 HIS A 408 9.494 4.898 -17.823 1.00 0.00 N ATOM 828 CD2 HIS A 408 7.978 5.581 -19.238 1.00 0.00 C ATOM 829 CE1 HIS A 408 9.179 3.867 -18.587 1.00 0.00 C ATOM 830 NE2 HIS A 408 8.261 4.255 -19.454 1.00 0.00 N ATOM 0 H HIS A 408 8.953 9.809 -17.168 1.00 0.00 H new ATOM 0 HA HIS A 408 10.904 7.841 -17.999 1.00 0.00 H new ATOM 0 HB2 HIS A 408 9.122 7.187 -16.495 1.00 0.00 H new ATOM 0 HB3 HIS A 408 7.897 7.828 -17.572 1.00 0.00 H new ATOM 0 HD1 HIS A 408 10.178 4.884 -17.066 1.00 0.00 H new ATOM 0 HD2 HIS A 408 7.268 6.182 -19.787 1.00 0.00 H new ATOM 0 HE1 HIS A 408 9.601 2.875 -18.515 1.00 0.00 H new ATOM 838 N VAL A 409 8.770 9.167 -20.121 1.00 0.00 N ATOM 839 CA VAL A 409 8.464 9.321 -21.539 1.00 0.00 C ATOM 840 C VAL A 409 9.633 9.951 -22.287 1.00 0.00 C ATOM 841 O VAL A 409 10.080 9.432 -23.311 1.00 0.00 O ATOM 842 CB VAL A 409 7.207 10.186 -21.751 1.00 0.00 C ATOM 843 CG1 VAL A 409 6.929 10.369 -23.235 1.00 0.00 C ATOM 844 CG2 VAL A 409 6.010 9.566 -21.048 1.00 0.00 C ATOM 0 H VAL A 409 8.222 9.766 -19.504 1.00 0.00 H new ATOM 0 HA VAL A 409 8.279 8.322 -21.934 1.00 0.00 H new ATOM 0 HB VAL A 409 7.386 11.169 -21.316 1.00 0.00 H new ATOM 0 HG11 VAL A 409 6.038 10.983 -23.365 1.00 0.00 H new ATOM 0 HG12 VAL A 409 7.780 10.861 -23.707 1.00 0.00 H new ATOM 0 HG13 VAL A 409 6.770 9.395 -23.698 1.00 0.00 H new ATOM 0 HG21 VAL A 409 5.131 10.190 -21.208 1.00 0.00 H new ATOM 0 HG22 VAL A 409 5.827 8.570 -21.452 1.00 0.00 H new ATOM 0 HG23 VAL A 409 6.213 9.493 -19.980 1.00 0.00 H new ATOM 854 N ARG A 410 10.125 11.072 -21.770 1.00 0.00 N ATOM 855 CA ARG A 410 11.243 11.773 -22.390 1.00 0.00 C ATOM 856 C ARG A 410 12.464 10.864 -22.496 1.00 0.00 C ATOM 857 O ARG A 410 13.218 10.932 -23.466 1.00 0.00 O ATOM 858 CB ARG A 410 11.595 13.026 -21.586 1.00 0.00 C ATOM 859 CG ARG A 410 10.415 13.958 -21.362 1.00 0.00 C ATOM 860 CD ARG A 410 10.143 14.816 -22.587 1.00 0.00 C ATOM 861 NE ARG A 410 10.808 16.114 -22.505 1.00 0.00 N ATOM 862 CZ ARG A 410 10.457 17.167 -23.234 1.00 0.00 C ATOM 863 NH1 ARG A 410 9.451 17.078 -24.093 1.00 0.00 N ATOM 864 NH2 ARG A 410 11.111 18.314 -23.103 1.00 0.00 N ATOM 0 H ARG A 410 9.767 11.514 -20.923 1.00 0.00 H new ATOM 0 HA ARG A 410 10.942 12.067 -23.396 1.00 0.00 H new ATOM 0 HB2 ARG A 410 11.998 12.725 -20.619 1.00 0.00 H new ATOM 0 HB3 ARG A 410 12.384 13.571 -22.105 1.00 0.00 H new ATOM 0 HG2 ARG A 410 9.528 13.372 -21.122 1.00 0.00 H new ATOM 0 HG3 ARG A 410 10.615 14.600 -20.504 1.00 0.00 H new ATOM 0 HD2 ARG A 410 10.482 14.291 -23.480 1.00 0.00 H new ATOM 0 HD3 ARG A 410 9.069 14.965 -22.694 1.00 0.00 H new ATOM 0 HE ARG A 410 11.585 16.217 -21.852 1.00 0.00 H new ATOM 0 HH11 ARG A 410 8.944 16.199 -24.195 1.00 0.00 H new ATOM 0 HH12 ARG A 410 9.184 17.889 -24.651 1.00 0.00 H new ATOM 0 HH21 ARG A 410 11.884 18.388 -22.442 1.00 0.00 H new ATOM 0 HH22 ARG A 410 10.841 19.122 -23.663 1.00 0.00 H new ATOM 878 N SER A 411 12.652 10.014 -21.491 1.00 0.00 N ATOM 879 CA SER A 411 13.783 9.095 -21.470 1.00 0.00 C ATOM 880 C SER A 411 13.861 8.298 -22.768 1.00 0.00 C ATOM 881 O SER A 411 14.944 7.908 -23.207 1.00 0.00 O ATOM 882 CB SER A 411 13.669 8.141 -20.279 1.00 0.00 C ATOM 883 OG SER A 411 14.947 7.697 -19.857 1.00 0.00 O ATOM 0 H SER A 411 12.036 9.943 -20.681 1.00 0.00 H new ATOM 0 HA SER A 411 14.695 9.683 -21.371 1.00 0.00 H new ATOM 0 HB2 SER A 411 13.164 8.643 -19.454 1.00 0.00 H new ATOM 0 HB3 SER A 411 13.055 7.283 -20.554 1.00 0.00 H new ATOM 0 HG SER A 411 14.847 7.090 -19.094 1.00 0.00 H new ATOM 889 N HIS A 412 12.705 8.060 -23.379 1.00 0.00 N ATOM 890 CA HIS A 412 12.641 7.310 -24.629 1.00 0.00 C ATOM 891 C HIS A 412 12.781 8.242 -25.829 1.00 0.00 C ATOM 892 O HIS A 412 13.565 7.980 -26.742 1.00 0.00 O ATOM 893 CB HIS A 412 11.323 6.539 -24.719 1.00 0.00 C ATOM 894 CG HIS A 412 11.020 5.728 -23.497 1.00 0.00 C ATOM 895 ND1 HIS A 412 11.918 4.843 -22.939 1.00 0.00 N ATOM 896 CD2 HIS A 412 9.910 5.672 -22.724 1.00 0.00 C ATOM 897 CE1 HIS A 412 11.374 4.277 -21.877 1.00 0.00 C ATOM 898 NE2 HIS A 412 10.155 4.763 -21.724 1.00 0.00 N ATOM 0 H HIS A 412 11.800 8.375 -23.029 1.00 0.00 H new ATOM 0 HA HIS A 412 13.469 6.602 -24.642 1.00 0.00 H new ATOM 0 HB2 HIS A 412 10.509 7.245 -24.888 1.00 0.00 H new ATOM 0 HB3 HIS A 412 11.357 5.878 -25.585 1.00 0.00 H new ATOM 0 HD2 HIS A 412 9.001 6.237 -22.867 1.00 0.00 H new ATOM 0 HE1 HIS A 412 11.845 3.542 -21.242 1.00 0.00 H new ATOM 0 HE2 HIS A 412 9.502 4.505 -20.984 1.00 0.00 H new ATOM 959 N LYS A 418 6.528 20.646 -31.766 1.00 0.00 N ATOM 960 CA LYS A 418 6.192 21.781 -32.617 1.00 0.00 C ATOM 961 C LYS A 418 6.428 21.447 -34.087 1.00 0.00 C ATOM 962 O LYS A 418 7.158 20.515 -34.427 1.00 0.00 O ATOM 963 CB LYS A 418 7.022 23.004 -32.222 1.00 0.00 C ATOM 964 CG LYS A 418 6.388 23.840 -31.124 1.00 0.00 C ATOM 965 CD LYS A 418 6.111 23.010 -29.881 1.00 0.00 C ATOM 966 CE LYS A 418 5.470 23.847 -28.784 1.00 0.00 C ATOM 967 NZ LYS A 418 4.399 23.098 -28.070 1.00 0.00 N ATOM 0 HA LYS A 418 5.135 22.007 -32.479 1.00 0.00 H new ATOM 0 HB2 LYS A 418 8.007 22.673 -31.892 1.00 0.00 H new ATOM 0 HB3 LYS A 418 7.174 23.629 -33.102 1.00 0.00 H new ATOM 0 HG2 LYS A 418 7.048 24.669 -30.869 1.00 0.00 H new ATOM 0 HG3 LYS A 418 5.457 24.274 -31.488 1.00 0.00 H new ATOM 0 HD2 LYS A 418 5.454 22.178 -30.136 1.00 0.00 H new ATOM 0 HD3 LYS A 418 7.043 22.580 -29.514 1.00 0.00 H new ATOM 0 HE2 LYS A 418 6.234 24.157 -28.071 1.00 0.00 H new ATOM 0 HE3 LYS A 418 5.051 24.755 -29.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 418 3.987 23.702 -27.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 418 3.658 22.824 -28.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 418 4.803 22.245 -27.634 1.00 0.00 H new ATOM 981 N PRO A 419 5.797 22.224 -34.980 1.00 0.00 N ATOM 982 CA PRO A 419 5.925 22.031 -36.427 1.00 0.00 C ATOM 983 C PRO A 419 7.313 22.398 -36.941 1.00 0.00 C ATOM 984 O PRO A 419 7.922 21.647 -37.703 1.00 0.00 O ATOM 985 CB PRO A 419 4.873 22.979 -37.006 1.00 0.00 C ATOM 986 CG PRO A 419 4.702 24.034 -35.968 1.00 0.00 C ATOM 987 CD PRO A 419 4.912 23.352 -34.645 1.00 0.00 C ATOM 0 HA PRO A 419 5.783 20.989 -36.713 1.00 0.00 H new ATOM 0 HB2 PRO A 419 5.203 23.405 -37.953 1.00 0.00 H new ATOM 0 HB3 PRO A 419 3.935 22.459 -37.200 1.00 0.00 H new ATOM 0 HG2 PRO A 419 5.421 24.841 -36.110 1.00 0.00 H new ATOM 0 HG3 PRO A 419 3.709 24.479 -36.024 1.00 0.00 H new ATOM 0 HD2 PRO A 419 5.371 24.020 -33.917 1.00 0.00 H new ATOM 0 HD3 PRO A 419 3.970 23.010 -34.215 1.00 0.00 H new ATOM 995 N TYR A 420 7.808 23.556 -36.518 1.00 0.00 N ATOM 996 CA TYR A 420 9.124 24.023 -36.937 1.00 0.00 C ATOM 997 C TYR A 420 10.118 23.960 -35.782 1.00 0.00 C ATOM 998 O TYR A 420 9.805 24.353 -34.657 1.00 0.00 O ATOM 999 CB TYR A 420 9.034 25.454 -37.470 1.00 0.00 C ATOM 1000 CG TYR A 420 8.025 25.624 -38.583 1.00 0.00 C ATOM 1001 CD1 TYR A 420 8.219 25.022 -39.821 1.00 0.00 C ATOM 1002 CD2 TYR A 420 6.878 26.385 -38.397 1.00 0.00 C ATOM 1003 CE1 TYR A 420 7.300 25.175 -40.841 1.00 0.00 C ATOM 1004 CE2 TYR A 420 5.953 26.542 -39.411 1.00 0.00 C ATOM 1005 CZ TYR A 420 6.169 25.936 -40.631 1.00 0.00 C ATOM 1006 OH TYR A 420 5.250 26.089 -41.644 1.00 0.00 O ATOM 0 H TYR A 420 7.318 24.188 -35.885 1.00 0.00 H new ATOM 0 HA TYR A 420 9.478 23.367 -37.733 1.00 0.00 H new ATOM 0 HB2 TYR A 420 8.773 26.122 -36.650 1.00 0.00 H new ATOM 0 HB3 TYR A 420 10.016 25.761 -37.831 1.00 0.00 H new ATOM 0 HD1 TYR A 420 9.103 24.425 -39.988 1.00 0.00 H new ATOM 0 HD2 TYR A 420 6.706 26.862 -37.443 1.00 0.00 H new ATOM 0 HE1 TYR A 420 7.466 24.701 -41.797 1.00 0.00 H new ATOM 0 HE2 TYR A 420 5.066 27.136 -39.249 1.00 0.00 H new ATOM 0 HH TYR A 420 4.511 26.653 -41.333 1.00 0.00 H new ATOM 1016 N ILE A 421 11.317 23.464 -36.068 1.00 0.00 N ATOM 1017 CA ILE A 421 12.358 23.350 -35.054 1.00 0.00 C ATOM 1018 C ILE A 421 13.665 23.971 -35.536 1.00 0.00 C ATOM 1019 O ILE A 421 13.980 23.935 -36.726 1.00 0.00 O ATOM 1020 CB ILE A 421 12.612 21.881 -34.669 1.00 0.00 C ATOM 1021 CG1 ILE A 421 12.893 21.045 -35.920 1.00 0.00 C ATOM 1022 CG2 ILE A 421 11.421 21.319 -33.907 1.00 0.00 C ATOM 1023 CD1 ILE A 421 11.645 20.485 -36.566 1.00 0.00 C ATOM 0 H ILE A 421 11.592 23.135 -36.993 1.00 0.00 H new ATOM 0 HA ILE A 421 12.003 23.890 -34.176 1.00 0.00 H new ATOM 0 HB ILE A 421 13.487 21.837 -34.020 1.00 0.00 H new ATOM 0 HG12 ILE A 421 13.423 21.660 -36.647 1.00 0.00 H new ATOM 0 HG13 ILE A 421 13.556 20.221 -35.655 1.00 0.00 H new ATOM 0 HG21 ILE A 421 11.616 20.280 -33.642 1.00 0.00 H new ATOM 0 HG22 ILE A 421 11.262 21.901 -32.999 1.00 0.00 H new ATOM 0 HG23 ILE A 421 10.530 21.373 -34.533 1.00 0.00 H new ATOM 0 HD11 ILE A 421 11.920 19.904 -37.446 1.00 0.00 H new ATOM 0 HD12 ILE A 421 11.124 19.843 -35.856 1.00 0.00 H new ATOM 0 HD13 ILE A 421 10.990 21.304 -36.862 1.00 0.00 H new ATOM 1035 N CYS A 422 14.422 24.540 -34.604 1.00 0.00 N ATOM 1036 CA CYS A 422 15.696 25.168 -34.932 1.00 0.00 C ATOM 1037 C CYS A 422 16.580 24.218 -35.735 1.00 0.00 C ATOM 1038 O CYS A 422 16.388 23.003 -35.707 1.00 0.00 O ATOM 1039 CB CYS A 422 16.420 25.598 -33.655 1.00 0.00 C ATOM 1040 SG CYS A 422 17.712 26.855 -33.920 1.00 0.00 S ATOM 0 H CYS A 422 14.175 24.579 -33.615 1.00 0.00 H new ATOM 0 HA CYS A 422 15.492 26.049 -35.541 1.00 0.00 H new ATOM 0 HB2 CYS A 422 15.687 25.989 -32.949 1.00 0.00 H new ATOM 0 HB3 CYS A 422 16.872 24.720 -33.193 1.00 0.00 H new ATOM 0 HG CYS A 422 18.595 26.776 -32.970 1.00 0.00 H new ATOM 1045 N GLN A 423 17.549 24.782 -36.450 1.00 0.00 N ATOM 1046 CA GLN A 423 18.462 23.985 -37.261 1.00 0.00 C ATOM 1047 C GLN A 423 19.721 23.632 -36.475 1.00 0.00 C ATOM 1048 O GLN A 423 20.563 22.866 -36.944 1.00 0.00 O ATOM 1049 CB GLN A 423 18.838 24.742 -38.536 1.00 0.00 C ATOM 1050 CG GLN A 423 19.620 26.019 -38.277 1.00 0.00 C ATOM 1051 CD GLN A 423 20.178 26.629 -39.548 1.00 0.00 C ATOM 1052 OE1 GLN A 423 19.522 26.628 -40.590 1.00 0.00 O ATOM 1053 NE2 GLN A 423 21.394 27.156 -39.468 1.00 0.00 N ATOM 0 H GLN A 423 17.722 25.787 -36.484 1.00 0.00 H new ATOM 0 HA GLN A 423 17.954 23.060 -37.533 1.00 0.00 H new ATOM 0 HB2 GLN A 423 19.429 24.087 -39.176 1.00 0.00 H new ATOM 0 HB3 GLN A 423 17.929 24.988 -39.084 1.00 0.00 H new ATOM 0 HG2 GLN A 423 18.972 26.744 -37.785 1.00 0.00 H new ATOM 0 HG3 GLN A 423 20.439 25.806 -37.590 1.00 0.00 H new ATOM 0 HE21 GLN A 423 21.902 27.135 -38.584 1.00 0.00 H new ATOM 0 HE22 GLN A 423 21.820 27.582 -40.291 1.00 0.00 H new ATOM 1062 N SER A 424 19.843 24.196 -35.278 1.00 0.00 N ATOM 1063 CA SER A 424 21.001 23.944 -34.429 1.00 0.00 C ATOM 1064 C SER A 424 20.615 23.096 -33.220 1.00 0.00 C ATOM 1065 O SER A 424 20.907 21.901 -33.167 1.00 0.00 O ATOM 1066 CB SER A 424 21.617 25.265 -33.964 1.00 0.00 C ATOM 1067 OG SER A 424 22.756 25.597 -34.737 1.00 0.00 O ATOM 0 H SER A 424 19.154 24.831 -34.874 1.00 0.00 H new ATOM 0 HA SER A 424 21.737 23.395 -35.016 1.00 0.00 H new ATOM 0 HB2 SER A 424 20.877 26.062 -34.041 1.00 0.00 H new ATOM 0 HB3 SER A 424 21.896 25.189 -32.913 1.00 0.00 H new ATOM 0 HG SER A 424 23.130 26.446 -34.421 1.00 0.00 H new ATOM 1073 N CYS A 425 19.957 23.724 -32.251 1.00 0.00 N ATOM 1074 CA CYS A 425 19.530 23.030 -31.042 1.00 0.00 C ATOM 1075 C CYS A 425 18.296 22.174 -31.313 1.00 0.00 C ATOM 1076 O CYS A 425 17.960 21.286 -30.531 1.00 0.00 O ATOM 1077 CB CYS A 425 19.231 24.037 -29.930 1.00 0.00 C ATOM 1078 SG CYS A 425 17.936 25.247 -30.351 1.00 0.00 S ATOM 0 H CYS A 425 19.708 24.713 -32.280 1.00 0.00 H new ATOM 0 HA CYS A 425 20.341 22.376 -30.723 1.00 0.00 H new ATOM 0 HB2 CYS A 425 18.929 23.494 -29.035 1.00 0.00 H new ATOM 0 HB3 CYS A 425 20.148 24.573 -29.684 1.00 0.00 H new ATOM 0 HG CYS A 425 18.430 26.448 -30.296 1.00 0.00 H new ATOM 1083 N GLY A 426 17.626 22.448 -32.429 1.00 0.00 N ATOM 1084 CA GLY A 426 16.437 21.695 -32.784 1.00 0.00 C ATOM 1085 C GLY A 426 15.458 21.579 -31.632 1.00 0.00 C ATOM 1086 O GLY A 426 15.104 20.476 -31.216 1.00 0.00 O ATOM 0 H GLY A 426 17.885 23.178 -33.093 1.00 0.00 H new ATOM 0 HA2 GLY A 426 15.944 22.177 -33.628 1.00 0.00 H new ATOM 0 HA3 GLY A 426 16.727 20.697 -33.112 1.00 0.00 H new ATOM 1090 N LYS A 427 15.020 22.722 -31.114 1.00 0.00 N ATOM 1091 CA LYS A 427 14.076 22.746 -30.002 1.00 0.00 C ATOM 1092 C LYS A 427 12.642 22.617 -30.504 1.00 0.00 C ATOM 1093 O LYS A 427 12.029 21.556 -30.397 1.00 0.00 O ATOM 1094 CB LYS A 427 14.233 24.040 -29.201 1.00 0.00 C ATOM 1095 CG LYS A 427 13.244 24.171 -28.056 1.00 0.00 C ATOM 1096 CD LYS A 427 13.495 25.429 -27.243 1.00 0.00 C ATOM 1097 CE LYS A 427 12.233 26.268 -27.108 1.00 0.00 C ATOM 1098 NZ LYS A 427 12.540 27.674 -26.728 1.00 0.00 N ATOM 0 H LYS A 427 15.304 23.644 -31.446 1.00 0.00 H new ATOM 0 HA LYS A 427 14.294 21.897 -29.354 1.00 0.00 H new ATOM 0 HB2 LYS A 427 15.246 24.090 -28.802 1.00 0.00 H new ATOM 0 HB3 LYS A 427 14.113 24.890 -29.873 1.00 0.00 H new ATOM 0 HG2 LYS A 427 12.228 24.189 -28.452 1.00 0.00 H new ATOM 0 HG3 LYS A 427 13.318 23.297 -27.408 1.00 0.00 H new ATOM 0 HD2 LYS A 427 13.859 25.156 -26.253 1.00 0.00 H new ATOM 0 HD3 LYS A 427 14.277 26.021 -27.719 1.00 0.00 H new ATOM 0 HE2 LYS A 427 11.687 26.258 -28.052 1.00 0.00 H new ATOM 0 HE3 LYS A 427 11.580 25.823 -26.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 427 11.760 28.057 -26.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 427 13.420 27.700 -26.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 427 12.655 28.249 -27.587 1.00 0.00 H new ATOM 1112 N GLY A 428 12.112 23.706 -31.054 1.00 0.00 N ATOM 1113 CA GLY A 428 10.753 23.693 -31.565 1.00 0.00 C ATOM 1114 C GLY A 428 9.948 24.891 -31.103 1.00 0.00 C ATOM 1115 O GLY A 428 9.897 25.192 -29.910 1.00 0.00 O ATOM 0 H GLY A 428 12.599 24.596 -31.155 1.00 0.00 H new ATOM 0 HA2 GLY A 428 10.778 23.674 -32.655 1.00 0.00 H new ATOM 0 HA3 GLY A 428 10.255 22.779 -31.242 1.00 0.00 H new ATOM 1119 N PHE A 429 9.318 25.579 -32.050 1.00 0.00 N ATOM 1120 CA PHE A 429 8.514 26.753 -31.734 1.00 0.00 C ATOM 1121 C PHE A 429 7.126 26.646 -32.359 1.00 0.00 C ATOM 1122 O PHE A 429 6.978 26.197 -33.495 1.00 0.00 O ATOM 1123 CB PHE A 429 9.210 28.023 -32.228 1.00 0.00 C ATOM 1124 CG PHE A 429 10.463 28.353 -31.468 1.00 0.00 C ATOM 1125 CD1 PHE A 429 11.642 27.668 -31.718 1.00 0.00 C ATOM 1126 CD2 PHE A 429 10.463 29.349 -30.505 1.00 0.00 C ATOM 1127 CE1 PHE A 429 12.796 27.970 -31.020 1.00 0.00 C ATOM 1128 CE2 PHE A 429 11.614 29.655 -29.804 1.00 0.00 C ATOM 1129 CZ PHE A 429 12.782 28.965 -30.062 1.00 0.00 C ATOM 0 H PHE A 429 9.349 25.343 -33.042 1.00 0.00 H new ATOM 0 HA PHE A 429 8.403 26.805 -30.651 1.00 0.00 H new ATOM 0 HB2 PHE A 429 9.455 27.907 -33.284 1.00 0.00 H new ATOM 0 HB3 PHE A 429 8.517 28.861 -32.152 1.00 0.00 H new ATOM 0 HD1 PHE A 429 11.659 26.890 -32.467 1.00 0.00 H new ATOM 0 HD2 PHE A 429 9.553 29.893 -30.300 1.00 0.00 H new ATOM 0 HE1 PHE A 429 13.708 27.428 -31.223 1.00 0.00 H new ATOM 0 HE2 PHE A 429 11.600 30.433 -29.055 1.00 0.00 H new ATOM 0 HZ PHE A 429 13.683 29.203 -29.516 1.00 0.00 H new ATOM 1139 N SER A 430 6.111 27.060 -31.606 1.00 0.00 N ATOM 1140 CA SER A 430 4.734 27.006 -32.083 1.00 0.00 C ATOM 1141 C SER A 430 4.605 27.680 -33.446 1.00 0.00 C ATOM 1142 O SER A 430 4.098 27.087 -34.398 1.00 0.00 O ATOM 1143 CB SER A 430 3.797 27.678 -31.078 1.00 0.00 C ATOM 1144 OG SER A 430 4.529 28.394 -30.098 1.00 0.00 O ATOM 0 H SER A 430 6.217 27.436 -30.664 1.00 0.00 H new ATOM 0 HA SER A 430 4.452 25.958 -32.187 1.00 0.00 H new ATOM 0 HB2 SER A 430 3.124 28.357 -31.601 1.00 0.00 H new ATOM 0 HB3 SER A 430 3.176 26.924 -30.594 1.00 0.00 H new ATOM 0 HG SER A 430 3.907 28.816 -29.469 1.00 0.00 H new ATOM 1150 N ARG A 431 5.066 28.924 -33.530 1.00 0.00 N ATOM 1151 CA ARG A 431 5.001 29.680 -34.774 1.00 0.00 C ATOM 1152 C ARG A 431 6.377 29.771 -35.427 1.00 0.00 C ATOM 1153 O ARG A 431 7.410 29.576 -34.786 1.00 0.00 O ATOM 1154 CB ARG A 431 4.455 31.085 -34.514 1.00 0.00 C ATOM 1155 CG ARG A 431 2.984 31.241 -34.863 1.00 0.00 C ATOM 1156 CD ARG A 431 2.089 30.726 -33.746 1.00 0.00 C ATOM 1157 NE ARG A 431 0.779 31.372 -33.752 1.00 0.00 N ATOM 1158 CZ ARG A 431 -0.052 31.359 -32.716 1.00 0.00 C ATOM 1159 NH1 ARG A 431 0.290 30.737 -31.596 1.00 0.00 N ATOM 1160 NH2 ARG A 431 -1.227 31.970 -32.798 1.00 0.00 N ATOM 0 H ARG A 431 5.488 29.429 -32.751 1.00 0.00 H new ATOM 0 HA ARG A 431 4.329 29.156 -35.453 1.00 0.00 H new ATOM 0 HB2 ARG A 431 4.598 31.332 -33.462 1.00 0.00 H new ATOM 0 HB3 ARG A 431 5.035 31.804 -35.093 1.00 0.00 H new ATOM 0 HG2 ARG A 431 2.763 32.291 -35.053 1.00 0.00 H new ATOM 0 HG3 ARG A 431 2.768 30.699 -35.783 1.00 0.00 H new ATOM 0 HD2 ARG A 431 1.962 29.648 -33.851 1.00 0.00 H new ATOM 0 HD3 ARG A 431 2.574 30.898 -32.785 1.00 0.00 H new ATOM 0 HE ARG A 431 0.486 31.860 -34.598 1.00 0.00 H new ATOM 0 HH11 ARG A 431 1.193 30.267 -31.529 1.00 0.00 H new ATOM 0 HH12 ARG A 431 -0.350 30.728 -30.802 1.00 0.00 H new ATOM 0 HH21 ARG A 431 -1.493 32.450 -33.657 1.00 0.00 H new ATOM 0 HH22 ARG A 431 -1.864 31.959 -32.002 1.00 0.00 H new ATOM 1174 N PRO A 432 6.394 30.075 -36.734 1.00 0.00 N ATOM 1175 CA PRO A 432 7.636 30.199 -37.502 1.00 0.00 C ATOM 1176 C PRO A 432 8.443 31.430 -37.106 1.00 0.00 C ATOM 1177 O PRO A 432 9.650 31.347 -36.879 1.00 0.00 O ATOM 1178 CB PRO A 432 7.148 30.322 -38.948 1.00 0.00 C ATOM 1179 CG PRO A 432 5.770 30.878 -38.837 1.00 0.00 C ATOM 1180 CD PRO A 432 5.201 30.321 -37.561 1.00 0.00 C ATOM 0 HA PRO A 432 8.305 29.355 -37.333 1.00 0.00 H new ATOM 0 HB2 PRO A 432 7.794 30.979 -39.529 1.00 0.00 H new ATOM 0 HB3 PRO A 432 7.145 29.354 -39.449 1.00 0.00 H new ATOM 0 HG2 PRO A 432 5.789 31.968 -38.813 1.00 0.00 H new ATOM 0 HG3 PRO A 432 5.162 30.589 -39.694 1.00 0.00 H new ATOM 0 HD2 PRO A 432 4.520 31.025 -37.084 1.00 0.00 H new ATOM 0 HD3 PRO A 432 4.639 29.404 -37.738 1.00 0.00 H new ATOM 1188 N ASP A 433 7.768 32.572 -37.024 1.00 0.00 N ATOM 1189 CA ASP A 433 8.423 33.822 -36.654 1.00 0.00 C ATOM 1190 C ASP A 433 9.176 33.670 -35.336 1.00 0.00 C ATOM 1191 O ASP A 433 10.218 34.292 -35.129 1.00 0.00 O ATOM 1192 CB ASP A 433 7.394 34.947 -36.541 1.00 0.00 C ATOM 1193 CG ASP A 433 7.542 35.979 -37.642 1.00 0.00 C ATOM 1194 OD1 ASP A 433 8.676 36.455 -37.861 1.00 0.00 O ATOM 1195 OD2 ASP A 433 6.524 36.311 -38.285 1.00 0.00 O ATOM 0 H ASP A 433 6.769 32.658 -37.209 1.00 0.00 H new ATOM 0 HA ASP A 433 9.140 34.074 -37.435 1.00 0.00 H new ATOM 0 HB2 ASP A 433 6.391 34.523 -36.577 1.00 0.00 H new ATOM 0 HB3 ASP A 433 7.499 35.436 -35.572 1.00 0.00 H new ATOM 1200 N HIS A 434 8.640 32.841 -34.446 1.00 0.00 N ATOM 1201 CA HIS A 434 9.262 32.608 -33.147 1.00 0.00 C ATOM 1202 C HIS A 434 10.630 31.952 -33.309 1.00 0.00 C ATOM 1203 O HIS A 434 11.536 32.176 -32.505 1.00 0.00 O ATOM 1204 CB HIS A 434 8.362 31.729 -32.277 1.00 0.00 C ATOM 1205 CG HIS A 434 7.083 32.396 -31.874 1.00 0.00 C ATOM 1206 ND1 HIS A 434 6.440 32.134 -30.683 1.00 0.00 N ATOM 1207 CD2 HIS A 434 6.327 33.322 -32.512 1.00 0.00 C ATOM 1208 CE1 HIS A 434 5.344 32.867 -30.606 1.00 0.00 C ATOM 1209 NE2 HIS A 434 5.253 33.597 -31.703 1.00 0.00 N ATOM 0 H HIS A 434 7.777 32.320 -34.600 1.00 0.00 H new ATOM 0 HA HIS A 434 9.397 33.573 -32.658 1.00 0.00 H new ATOM 0 HB2 HIS A 434 8.129 30.813 -32.819 1.00 0.00 H new ATOM 0 HB3 HIS A 434 8.909 31.438 -31.380 1.00 0.00 H new ATOM 0 HD2 HIS A 434 6.531 33.762 -33.477 1.00 0.00 H new ATOM 0 HE1 HIS A 434 4.642 32.869 -29.786 1.00 0.00 H new ATOM 0 HE2 HIS A 434 4.506 34.258 -31.915 1.00 0.00 H new ATOM 1217 N LEU A 435 10.772 31.141 -34.351 1.00 0.00 N ATOM 1218 CA LEU A 435 12.029 30.452 -34.618 1.00 0.00 C ATOM 1219 C LEU A 435 13.053 31.403 -35.229 1.00 0.00 C ATOM 1220 O LEU A 435 14.245 31.320 -34.935 1.00 0.00 O ATOM 1221 CB LEU A 435 11.795 29.267 -35.556 1.00 0.00 C ATOM 1222 CG LEU A 435 13.028 28.433 -35.906 1.00 0.00 C ATOM 1223 CD1 LEU A 435 13.583 27.753 -34.664 1.00 0.00 C ATOM 1224 CD2 LEU A 435 12.690 27.403 -36.974 1.00 0.00 C ATOM 0 H LEU A 435 10.032 30.944 -35.025 1.00 0.00 H new ATOM 0 HA LEU A 435 12.421 30.085 -33.669 1.00 0.00 H new ATOM 0 HB2 LEU A 435 11.054 28.610 -35.101 1.00 0.00 H new ATOM 0 HB3 LEU A 435 11.361 29.643 -36.482 1.00 0.00 H new ATOM 0 HG LEU A 435 13.793 29.100 -36.302 1.00 0.00 H new ATOM 0 HD11 LEU A 435 14.460 27.164 -34.933 1.00 0.00 H new ATOM 0 HD12 LEU A 435 13.864 28.509 -33.930 1.00 0.00 H new ATOM 0 HD13 LEU A 435 12.823 27.098 -34.237 1.00 0.00 H new ATOM 0 HD21 LEU A 435 13.579 26.819 -37.210 1.00 0.00 H new ATOM 0 HD22 LEU A 435 11.908 26.740 -36.605 1.00 0.00 H new ATOM 0 HD23 LEU A 435 12.341 27.912 -37.872 1.00 0.00 H new ATOM 1236 N ASN A 436 12.579 32.309 -36.078 1.00 0.00 N ATOM 1237 CA ASN A 436 13.453 33.278 -36.729 1.00 0.00 C ATOM 1238 C ASN A 436 14.162 34.150 -35.697 1.00 0.00 C ATOM 1239 O ASN A 436 15.323 34.518 -35.872 1.00 0.00 O ATOM 1240 CB ASN A 436 12.649 34.157 -37.689 1.00 0.00 C ATOM 1241 CG ASN A 436 13.408 35.402 -38.106 1.00 0.00 C ATOM 1242 OD1 ASN A 436 14.162 35.387 -39.079 1.00 0.00 O ATOM 1243 ND2 ASN A 436 13.211 36.489 -37.369 1.00 0.00 N ATOM 0 H ASN A 436 11.594 32.392 -36.331 1.00 0.00 H new ATOM 0 HA ASN A 436 14.206 32.729 -37.294 1.00 0.00 H new ATOM 0 HB2 ASN A 436 12.390 33.579 -38.576 1.00 0.00 H new ATOM 0 HB3 ASN A 436 11.713 34.448 -37.213 1.00 0.00 H new ATOM 0 HD21 ASN A 436 13.694 37.357 -37.601 1.00 0.00 H new ATOM 0 HD22 ASN A 436 12.577 36.456 -36.571 1.00 0.00 H new ATOM 1250 N GLY A 437 13.455 34.477 -34.619 1.00 0.00 N ATOM 1251 CA GLY A 437 14.033 35.302 -33.575 1.00 0.00 C ATOM 1252 C GLY A 437 15.050 34.551 -32.739 1.00 0.00 C ATOM 1253 O GLY A 437 16.036 35.129 -32.280 1.00 0.00 O ATOM 0 H GLY A 437 12.492 34.185 -34.451 1.00 0.00 H new ATOM 0 HA2 GLY A 437 14.510 36.172 -34.026 1.00 0.00 H new ATOM 0 HA3 GLY A 437 13.238 35.673 -32.928 1.00 0.00 H new ATOM 1257 N HIS A 438 14.810 33.259 -32.537 1.00 0.00 N ATOM 1258 CA HIS A 438 15.713 32.428 -31.749 1.00 0.00 C ATOM 1259 C HIS A 438 17.064 32.284 -32.443 1.00 0.00 C ATOM 1260 O HIS A 438 18.113 32.458 -31.822 1.00 0.00 O ATOM 1261 CB HIS A 438 15.097 31.048 -31.516 1.00 0.00 C ATOM 1262 CG HIS A 438 16.063 30.046 -30.962 1.00 0.00 C ATOM 1263 ND1 HIS A 438 16.127 29.722 -29.624 1.00 0.00 N ATOM 1264 CD2 HIS A 438 17.006 29.294 -31.575 1.00 0.00 C ATOM 1265 CE1 HIS A 438 17.069 28.815 -29.437 1.00 0.00 C ATOM 1266 NE2 HIS A 438 17.618 28.538 -30.606 1.00 0.00 N ATOM 0 H HIS A 438 13.998 32.765 -32.908 1.00 0.00 H new ATOM 0 HA HIS A 438 15.869 32.916 -30.787 1.00 0.00 H new ATOM 0 HB2 HIS A 438 14.255 31.146 -30.831 1.00 0.00 H new ATOM 0 HB3 HIS A 438 14.698 30.673 -32.459 1.00 0.00 H new ATOM 0 HD1 HIS A 438 15.539 30.120 -28.892 1.00 0.00 H new ATOM 0 HD2 HIS A 438 17.235 29.289 -32.630 1.00 0.00 H new ATOM 0 HE1 HIS A 438 17.343 28.375 -28.490 1.00 0.00 H new ATOM 1274 N ILE A 439 17.030 31.964 -33.732 1.00 0.00 N ATOM 1275 CA ILE A 439 18.252 31.797 -34.509 1.00 0.00 C ATOM 1276 C ILE A 439 19.168 33.006 -34.360 1.00 0.00 C ATOM 1277 O ILE A 439 20.392 32.873 -34.334 1.00 0.00 O ATOM 1278 CB ILE A 439 17.944 31.582 -36.003 1.00 0.00 C ATOM 1279 CG1 ILE A 439 17.051 30.354 -36.190 1.00 0.00 C ATOM 1280 CG2 ILE A 439 19.235 31.430 -36.793 1.00 0.00 C ATOM 1281 CD1 ILE A 439 16.358 30.310 -37.534 1.00 0.00 C ATOM 0 H ILE A 439 16.170 31.815 -34.260 1.00 0.00 H new ATOM 0 HA ILE A 439 18.755 30.913 -34.119 1.00 0.00 H new ATOM 0 HB ILE A 439 17.412 32.456 -36.379 1.00 0.00 H new ATOM 0 HG12 ILE A 439 17.655 29.454 -36.072 1.00 0.00 H new ATOM 0 HG13 ILE A 439 16.299 30.338 -35.402 1.00 0.00 H new ATOM 0 HG21 ILE A 439 19.001 31.279 -37.847 1.00 0.00 H new ATOM 0 HG22 ILE A 439 19.838 32.331 -36.681 1.00 0.00 H new ATOM 0 HG23 ILE A 439 19.792 30.571 -36.418 1.00 0.00 H new ATOM 0 HD11 ILE A 439 15.742 29.413 -37.597 1.00 0.00 H new ATOM 0 HD12 ILE A 439 15.727 31.192 -37.647 1.00 0.00 H new ATOM 0 HD13 ILE A 439 17.105 30.294 -38.328 1.00 0.00 H new ATOM 1293 N LYS A 440 18.568 34.188 -34.260 1.00 0.00 N ATOM 1294 CA LYS A 440 19.329 35.423 -34.109 1.00 0.00 C ATOM 1295 C LYS A 440 19.531 35.760 -32.636 1.00 0.00 C ATOM 1296 O LYS A 440 20.392 36.568 -32.288 1.00 0.00 O ATOM 1297 CB LYS A 440 18.611 36.576 -34.814 1.00 0.00 C ATOM 1298 CG LYS A 440 19.546 37.681 -35.277 1.00 0.00 C ATOM 1299 CD LYS A 440 18.963 38.447 -36.453 1.00 0.00 C ATOM 1300 CE LYS A 440 19.526 39.857 -36.533 1.00 0.00 C ATOM 1301 NZ LYS A 440 18.464 40.864 -36.808 1.00 0.00 N ATOM 0 H LYS A 440 17.556 34.316 -34.281 1.00 0.00 H new ATOM 0 HA LYS A 440 20.307 35.277 -34.567 1.00 0.00 H new ATOM 0 HB2 LYS A 440 18.070 36.184 -35.675 1.00 0.00 H new ATOM 0 HB3 LYS A 440 17.869 36.999 -34.137 1.00 0.00 H new ATOM 0 HG2 LYS A 440 19.736 38.368 -34.452 1.00 0.00 H new ATOM 0 HG3 LYS A 440 20.506 37.251 -35.561 1.00 0.00 H new ATOM 0 HD2 LYS A 440 19.180 37.914 -37.379 1.00 0.00 H new ATOM 0 HD3 LYS A 440 17.878 38.492 -36.358 1.00 0.00 H new ATOM 0 HE2 LYS A 440 20.025 40.102 -35.596 1.00 0.00 H new ATOM 0 HE3 LYS A 440 20.281 39.902 -37.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 440 18.889 41.812 -36.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 440 18.004 40.645 -37.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 440 17.756 40.839 -36.046 1.00 0.00 H new ATOM 1315 N GLN A 441 18.734 35.136 -31.775 1.00 0.00 N ATOM 1316 CA GLN A 441 18.828 35.370 -30.339 1.00 0.00 C ATOM 1317 C GLN A 441 19.927 34.514 -29.718 1.00 0.00 C ATOM 1318 O GLN A 441 20.940 35.031 -29.247 1.00 0.00 O ATOM 1319 CB GLN A 441 17.489 35.072 -29.663 1.00 0.00 C ATOM 1320 CG GLN A 441 17.469 35.401 -28.179 1.00 0.00 C ATOM 1321 CD GLN A 441 16.470 34.561 -27.408 1.00 0.00 C ATOM 1322 OE1 GLN A 441 16.810 33.939 -26.402 1.00 0.00 O ATOM 1323 NE2 GLN A 441 15.227 34.540 -27.878 1.00 0.00 N ATOM 0 H GLN A 441 18.016 34.465 -32.047 1.00 0.00 H new ATOM 0 HA GLN A 441 19.079 36.419 -30.184 1.00 0.00 H new ATOM 0 HB2 GLN A 441 16.705 35.640 -30.163 1.00 0.00 H new ATOM 0 HB3 GLN A 441 17.252 34.016 -29.796 1.00 0.00 H new ATOM 0 HG2 GLN A 441 18.465 35.247 -27.763 1.00 0.00 H new ATOM 0 HG3 GLN A 441 17.229 36.456 -28.048 1.00 0.00 H new ATOM 0 HE21 GLN A 441 14.990 35.071 -28.716 1.00 0.00 H new ATOM 0 HE22 GLN A 441 14.511 33.993 -27.401 1.00 0.00 H new ATOM 1332 N VAL A 442 19.719 33.201 -29.720 1.00 0.00 N ATOM 1333 CA VAL A 442 20.692 32.272 -29.158 1.00 0.00 C ATOM 1334 C VAL A 442 21.897 32.114 -30.079 1.00 0.00 C ATOM 1335 O VAL A 442 23.021 32.458 -29.713 1.00 0.00 O ATOM 1336 CB VAL A 442 20.066 30.888 -28.906 1.00 0.00 C ATOM 1337 CG1 VAL A 442 21.105 29.924 -28.353 1.00 0.00 C ATOM 1338 CG2 VAL A 442 18.879 31.004 -27.963 1.00 0.00 C ATOM 0 H VAL A 442 18.885 32.757 -30.105 1.00 0.00 H new ATOM 0 HA VAL A 442 21.019 32.693 -28.207 1.00 0.00 H new ATOM 0 HB VAL A 442 19.708 30.492 -29.856 1.00 0.00 H new ATOM 0 HG11 VAL A 442 20.644 28.951 -28.181 1.00 0.00 H new ATOM 0 HG12 VAL A 442 21.920 29.818 -29.069 1.00 0.00 H new ATOM 0 HG13 VAL A 442 21.496 30.311 -27.412 1.00 0.00 H new ATOM 0 HG21 VAL A 442 18.449 30.016 -27.796 1.00 0.00 H new ATOM 0 HG22 VAL A 442 19.209 31.421 -27.012 1.00 0.00 H new ATOM 0 HG23 VAL A 442 18.126 31.658 -28.404 1.00 0.00 H new ATOM 1348 N HIS A 443 21.654 31.590 -31.276 1.00 0.00 N ATOM 1349 CA HIS A 443 22.720 31.387 -32.252 1.00 0.00 C ATOM 1350 C HIS A 443 23.077 32.697 -32.947 1.00 0.00 C ATOM 1351 O HIS A 443 22.979 32.810 -34.169 1.00 0.00 O ATOM 1352 CB HIS A 443 22.299 30.344 -33.288 1.00 0.00 C ATOM 1353 CG HIS A 443 21.681 29.119 -32.688 1.00 0.00 C ATOM 1354 ND1 HIS A 443 22.355 28.281 -31.826 1.00 0.00 N ATOM 1355 CD2 HIS A 443 20.442 28.593 -32.829 1.00 0.00 C ATOM 1356 CE1 HIS A 443 21.559 27.291 -31.464 1.00 0.00 C ATOM 1357 NE2 HIS A 443 20.391 27.457 -32.059 1.00 0.00 N ATOM 0 H HIS A 443 20.730 31.298 -31.594 1.00 0.00 H new ATOM 0 HA HIS A 443 23.601 31.026 -31.722 1.00 0.00 H new ATOM 0 HB2 HIS A 443 21.589 30.797 -33.980 1.00 0.00 H new ATOM 0 HB3 HIS A 443 23.171 30.052 -33.872 1.00 0.00 H new ATOM 0 HD1 HIS A 443 23.319 28.406 -31.516 1.00 0.00 H new ATOM 0 HD2 HIS A 443 19.642 28.992 -33.435 1.00 0.00 H new ATOM 0 HE1 HIS A 443 21.819 26.483 -30.796 1.00 0.00 H new