USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 284 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 421 CYS SG : rot 165:sc= -1.34 USER MOD Set 1.2: A 427 CYS SG : rot 172:sc= -1.66 USER MOD Set 1.3: A 434 HIS : no HE2:sc= -2.75 K(o=-6.2,f=-8.5) USER MOD Set 1.4: A 440 HIS : no HE2:sc= -0.412 K(o=-6.2,f=-12!) USER MOD Single : A 423 TYR OH : rot 180:sc= 0 USER MOD Single : A 426 SER OG : rot 180:sc= 0.00178 USER MOD Single : A 428 TYR OH : rot 180:sc= 0 USER MOD Single : A 430 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 431 ASN : amide:sc= -1.11 X(o=-1.1,f=-1) USER MOD Single : A 433 GLN : amide:sc= -3.47! C(o=-3.5!,f=-3.9!) USER MOD Single : A 435 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 441 ASN : amide:sc= -0.871 K(o=-0.87,f=-1.7) USER MOD Single : A 442 THR OG1 : rot 180:sc= 0.059 USER MOD Single : A 447 ASN : amide:sc=-0.00947 X(o=-0.0095,f=0) USER MOD ----------------------------------------------------------------- ATOM 148 N ASP A 416 -1.971 -9.233 -8.982 1.00 0.00 N ATOM 149 CA ASP A 416 -1.698 -10.553 -8.347 1.00 0.00 C ATOM 150 C ASP A 416 -0.189 -10.701 -8.074 1.00 0.00 C ATOM 151 O ASP A 416 0.257 -11.741 -7.625 1.00 0.00 O ATOM 152 CB ASP A 416 -2.178 -11.608 -9.350 1.00 0.00 C ATOM 153 CG ASP A 416 -3.027 -12.656 -8.626 1.00 0.00 C ATOM 154 OD1 ASP A 416 -2.451 -13.575 -8.070 1.00 0.00 O ATOM 155 OD2 ASP A 416 -4.240 -12.518 -8.637 1.00 0.00 O ATOM 0 HA ASP A 416 -2.210 -10.661 -7.391 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -2.762 -11.135 -10.140 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -1.323 -12.085 -9.828 1.00 0.00 H new ATOM 160 N ASP A 417 0.608 -9.664 -8.305 1.00 0.00 N ATOM 161 CA ASP A 417 2.067 -9.762 -8.014 1.00 0.00 C ATOM 162 C ASP A 417 2.394 -8.715 -6.942 1.00 0.00 C ATOM 163 O ASP A 417 3.305 -7.925 -7.087 1.00 0.00 O ATOM 164 CB ASP A 417 2.790 -9.468 -9.341 1.00 0.00 C ATOM 165 CG ASP A 417 2.479 -8.047 -9.825 1.00 0.00 C ATOM 166 OD1 ASP A 417 1.312 -7.750 -10.017 1.00 0.00 O ATOM 167 OD2 ASP A 417 3.415 -7.282 -9.996 1.00 0.00 O ATOM 0 H ASP A 417 0.300 -8.767 -8.680 1.00 0.00 H new ATOM 0 HA ASP A 417 2.375 -10.739 -7.641 1.00 0.00 H new ATOM 0 HB2 ASP A 417 3.866 -9.585 -9.208 1.00 0.00 H new ATOM 0 HB3 ASP A 417 2.482 -10.190 -10.097 1.00 0.00 H new ATOM 172 N ARG A 418 1.631 -8.708 -5.868 1.00 0.00 N ATOM 173 CA ARG A 418 1.880 -7.711 -4.787 1.00 0.00 C ATOM 174 C ARG A 418 2.109 -8.402 -3.423 1.00 0.00 C ATOM 175 O ARG A 418 1.423 -9.349 -3.097 1.00 0.00 O ATOM 176 CB ARG A 418 0.622 -6.848 -4.755 1.00 0.00 C ATOM 177 CG ARG A 418 0.451 -6.140 -6.099 1.00 0.00 C ATOM 178 CD ARG A 418 1.549 -5.085 -6.265 1.00 0.00 C ATOM 179 NE ARG A 418 2.108 -5.318 -7.633 1.00 0.00 N ATOM 180 CZ ARG A 418 1.483 -4.883 -8.716 1.00 0.00 C ATOM 181 NH1 ARG A 418 0.334 -4.252 -8.639 1.00 0.00 N ATOM 182 NH2 ARG A 418 2.013 -5.089 -9.895 1.00 0.00 N ATOM 0 H ARG A 418 0.854 -9.347 -5.700 1.00 0.00 H new ATOM 0 HA ARG A 418 2.779 -7.125 -4.977 1.00 0.00 H new ATOM 0 HB2 ARG A 418 -0.250 -7.467 -4.545 1.00 0.00 H new ATOM 0 HB3 ARG A 418 0.693 -6.114 -3.952 1.00 0.00 H new ATOM 0 HG2 ARG A 418 0.502 -6.864 -6.912 1.00 0.00 H new ATOM 0 HG3 ARG A 418 -0.531 -5.670 -6.152 1.00 0.00 H new ATOM 0 HD2 ARG A 418 1.145 -4.077 -6.170 1.00 0.00 H new ATOM 0 HD3 ARG A 418 2.319 -5.193 -5.501 1.00 0.00 H new ATOM 0 HE ARG A 418 2.989 -5.822 -7.733 1.00 0.00 H new ATOM 0 HH11 ARG A 418 -0.097 -4.087 -7.730 1.00 0.00 H new ATOM 0 HH12 ARG A 418 -0.127 -3.927 -9.489 1.00 0.00 H new ATOM 0 HH21 ARG A 418 2.902 -5.582 -9.975 1.00 0.00 H new ATOM 0 HH22 ARG A 418 1.537 -4.756 -10.733 1.00 0.00 H new ATOM 196 N PRO A 419 3.075 -7.905 -2.666 1.00 0.00 N ATOM 197 CA PRO A 419 3.383 -8.498 -1.335 1.00 0.00 C ATOM 198 C PRO A 419 2.271 -8.204 -0.298 1.00 0.00 C ATOM 199 O PRO A 419 1.359 -8.993 -0.162 1.00 0.00 O ATOM 200 CB PRO A 419 4.726 -7.868 -0.958 1.00 0.00 C ATOM 201 CG PRO A 419 4.791 -6.587 -1.730 1.00 0.00 C ATOM 202 CD PRO A 419 3.960 -6.769 -2.972 1.00 0.00 C ATOM 0 HA PRO A 419 3.435 -9.587 -1.359 1.00 0.00 H new ATOM 0 HB2 PRO A 419 4.787 -7.684 0.115 1.00 0.00 H new ATOM 0 HB3 PRO A 419 5.556 -8.526 -1.217 1.00 0.00 H new ATOM 0 HG2 PRO A 419 4.412 -5.758 -1.132 1.00 0.00 H new ATOM 0 HG3 PRO A 419 5.822 -6.347 -1.989 1.00 0.00 H new ATOM 0 HD2 PRO A 419 3.387 -5.870 -3.200 1.00 0.00 H new ATOM 0 HD3 PRO A 419 4.586 -6.977 -3.840 1.00 0.00 H new ATOM 210 N GLU A 420 2.308 -7.088 0.431 1.00 0.00 N ATOM 211 CA GLU A 420 1.225 -6.777 1.450 1.00 0.00 C ATOM 212 C GLU A 420 1.604 -5.502 2.252 1.00 0.00 C ATOM 213 O GLU A 420 2.456 -5.554 3.120 1.00 0.00 O ATOM 214 CB GLU A 420 1.156 -7.977 2.419 1.00 0.00 C ATOM 215 CG GLU A 420 2.553 -8.285 2.985 1.00 0.00 C ATOM 216 CD GLU A 420 2.576 -8.018 4.496 1.00 0.00 C ATOM 217 OE1 GLU A 420 1.831 -7.159 4.938 1.00 0.00 O ATOM 218 OE2 GLU A 420 3.341 -8.677 5.181 1.00 0.00 O ATOM 0 H GLU A 420 3.042 -6.383 0.362 1.00 0.00 H new ATOM 0 HA GLU A 420 0.269 -6.608 0.954 1.00 0.00 H new ATOM 0 HB2 GLU A 420 0.466 -7.756 3.234 1.00 0.00 H new ATOM 0 HB3 GLU A 420 0.766 -8.852 1.899 1.00 0.00 H new ATOM 0 HG2 GLU A 420 2.814 -9.325 2.787 1.00 0.00 H new ATOM 0 HG3 GLU A 420 3.301 -7.668 2.487 1.00 0.00 H new ATOM 225 N CYS A 421 0.996 -4.359 1.972 1.00 0.00 N ATOM 226 CA CYS A 421 1.359 -3.099 2.733 1.00 0.00 C ATOM 227 C CYS A 421 1.268 -3.340 4.252 1.00 0.00 C ATOM 228 O CYS A 421 0.338 -3.973 4.711 1.00 0.00 O ATOM 229 CB CYS A 421 0.333 -2.024 2.308 1.00 0.00 C ATOM 230 SG CYS A 421 0.672 -0.446 3.144 1.00 0.00 S ATOM 0 H CYS A 421 0.274 -4.243 1.260 1.00 0.00 H new ATOM 0 HA CYS A 421 2.380 -2.789 2.511 1.00 0.00 H new ATOM 0 HB2 CYS A 421 0.371 -1.884 1.228 1.00 0.00 H new ATOM 0 HB3 CYS A 421 -0.675 -2.360 2.550 1.00 0.00 H new ATOM 0 HG CYS A 421 0.021 0.509 2.549 1.00 0.00 H new ATOM 235 N PRO A 422 2.225 -2.816 4.995 1.00 0.00 N ATOM 236 CA PRO A 422 2.202 -2.983 6.472 1.00 0.00 C ATOM 237 C PRO A 422 1.044 -2.168 7.064 1.00 0.00 C ATOM 238 O PRO A 422 0.366 -2.616 7.968 1.00 0.00 O ATOM 239 CB PRO A 422 3.549 -2.420 6.922 1.00 0.00 C ATOM 240 CG PRO A 422 3.943 -1.468 5.841 1.00 0.00 C ATOM 241 CD PRO A 422 3.397 -2.034 4.558 1.00 0.00 C ATOM 0 HA PRO A 422 2.056 -4.015 6.791 1.00 0.00 H new ATOM 0 HB2 PRO A 422 3.465 -1.914 7.884 1.00 0.00 H new ATOM 0 HB3 PRO A 422 4.289 -3.211 7.042 1.00 0.00 H new ATOM 0 HG2 PRO A 422 3.537 -0.474 6.031 1.00 0.00 H new ATOM 0 HG3 PRO A 422 5.027 -1.365 5.790 1.00 0.00 H new ATOM 0 HD2 PRO A 422 3.115 -1.246 3.860 1.00 0.00 H new ATOM 0 HD3 PRO A 422 4.131 -2.661 4.052 1.00 0.00 H new ATOM 249 N TYR A 423 0.806 -0.972 6.556 1.00 0.00 N ATOM 250 CA TYR A 423 -0.329 -0.136 7.103 1.00 0.00 C ATOM 251 C TYR A 423 -1.654 -0.909 7.019 1.00 0.00 C ATOM 252 O TYR A 423 -2.446 -0.883 7.942 1.00 0.00 O ATOM 253 CB TYR A 423 -0.397 1.137 6.235 1.00 0.00 C ATOM 254 CG TYR A 423 0.901 1.902 6.337 1.00 0.00 C ATOM 255 CD1 TYR A 423 1.547 2.067 7.599 1.00 0.00 C ATOM 256 CD2 TYR A 423 1.471 2.475 5.168 1.00 0.00 C ATOM 257 CE1 TYR A 423 2.760 2.798 7.688 1.00 0.00 C ATOM 258 CE2 TYR A 423 2.683 3.210 5.261 1.00 0.00 C ATOM 259 CZ TYR A 423 3.328 3.368 6.522 1.00 0.00 C ATOM 260 OH TYR A 423 4.510 4.066 6.614 1.00 0.00 O ATOM 0 H TYR A 423 1.338 -0.543 5.799 1.00 0.00 H new ATOM 0 HA TYR A 423 -0.162 0.111 8.151 1.00 0.00 H new ATOM 0 HB2 TYR A 423 -0.590 0.869 5.196 1.00 0.00 H new ATOM 0 HB3 TYR A 423 -1.226 1.766 6.561 1.00 0.00 H new ATOM 0 HD1 TYR A 423 1.112 1.635 8.488 1.00 0.00 H new ATOM 0 HD2 TYR A 423 0.984 2.352 4.212 1.00 0.00 H new ATOM 0 HE1 TYR A 423 3.249 2.920 8.643 1.00 0.00 H new ATOM 0 HE2 TYR A 423 3.116 3.650 4.375 1.00 0.00 H new ATOM 0 HH TYR A 423 4.767 4.392 5.726 1.00 0.00 H new ATOM 270 N GLY A 424 -1.901 -1.607 5.929 1.00 0.00 N ATOM 271 CA GLY A 424 -3.168 -2.385 5.814 1.00 0.00 C ATOM 272 C GLY A 424 -4.349 -1.451 5.479 1.00 0.00 C ATOM 273 O GLY A 424 -4.249 -0.640 4.579 1.00 0.00 O ATOM 0 H GLY A 424 -1.279 -1.667 5.122 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -3.066 -3.144 5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -3.366 -2.909 6.749 1.00 0.00 H new ATOM 277 N PRO A 425 -5.450 -1.602 6.200 1.00 0.00 N ATOM 278 CA PRO A 425 -6.657 -0.765 5.934 1.00 0.00 C ATOM 279 C PRO A 425 -6.436 0.707 6.314 1.00 0.00 C ATOM 280 O PRO A 425 -6.897 1.595 5.623 1.00 0.00 O ATOM 281 CB PRO A 425 -7.729 -1.387 6.824 1.00 0.00 C ATOM 282 CG PRO A 425 -6.971 -2.062 7.918 1.00 0.00 C ATOM 283 CD PRO A 425 -5.683 -2.541 7.311 1.00 0.00 C ATOM 0 HA PRO A 425 -6.919 -0.754 4.876 1.00 0.00 H new ATOM 0 HB2 PRO A 425 -8.404 -0.628 7.220 1.00 0.00 H new ATOM 0 HB3 PRO A 425 -8.340 -2.098 6.269 1.00 0.00 H new ATOM 0 HG2 PRO A 425 -6.780 -1.372 8.740 1.00 0.00 H new ATOM 0 HG3 PRO A 425 -7.541 -2.896 8.328 1.00 0.00 H new ATOM 0 HD2 PRO A 425 -4.867 -2.517 8.033 1.00 0.00 H new ATOM 0 HD3 PRO A 425 -5.765 -3.568 6.956 1.00 0.00 H new ATOM 291 N SER A 426 -5.753 0.988 7.406 1.00 0.00 N ATOM 292 CA SER A 426 -5.539 2.427 7.810 1.00 0.00 C ATOM 293 C SER A 426 -4.300 3.012 7.113 1.00 0.00 C ATOM 294 O SER A 426 -3.438 3.586 7.755 1.00 0.00 O ATOM 295 CB SER A 426 -5.342 2.427 9.335 1.00 0.00 C ATOM 296 OG SER A 426 -5.973 1.282 9.893 1.00 0.00 O ATOM 0 H SER A 426 -5.339 0.295 8.029 1.00 0.00 H new ATOM 0 HA SER A 426 -6.390 3.042 7.519 1.00 0.00 H new ATOM 0 HB2 SER A 426 -4.279 2.423 9.575 1.00 0.00 H new ATOM 0 HB3 SER A 426 -5.763 3.335 9.767 1.00 0.00 H new ATOM 0 HG SER A 426 -5.847 1.280 10.865 1.00 0.00 H new ATOM 302 N CYS A 427 -4.196 2.870 5.811 1.00 0.00 N ATOM 303 CA CYS A 427 -3.009 3.417 5.088 1.00 0.00 C ATOM 304 C CYS A 427 -3.262 4.876 4.670 1.00 0.00 C ATOM 305 O CYS A 427 -3.909 5.144 3.676 1.00 0.00 O ATOM 306 CB CYS A 427 -2.816 2.527 3.852 1.00 0.00 C ATOM 307 SG CYS A 427 -1.282 2.989 3.022 1.00 0.00 S ATOM 0 H CYS A 427 -4.883 2.399 5.222 1.00 0.00 H new ATOM 0 HA CYS A 427 -2.121 3.415 5.720 1.00 0.00 H new ATOM 0 HB2 CYS A 427 -2.783 1.478 4.146 1.00 0.00 H new ATOM 0 HB3 CYS A 427 -3.660 2.641 3.172 1.00 0.00 H new ATOM 0 HG CYS A 427 -1.026 2.135 2.076 1.00 0.00 H new ATOM 312 N TYR A 428 -2.748 5.823 5.427 1.00 0.00 N ATOM 313 CA TYR A 428 -2.942 7.283 5.080 1.00 0.00 C ATOM 314 C TYR A 428 -2.049 7.727 3.877 1.00 0.00 C ATOM 315 O TYR A 428 -2.155 8.854 3.428 1.00 0.00 O ATOM 316 CB TYR A 428 -2.617 8.083 6.395 1.00 0.00 C ATOM 317 CG TYR A 428 -1.299 8.856 6.317 1.00 0.00 C ATOM 318 CD1 TYR A 428 -1.272 10.108 5.644 1.00 0.00 C ATOM 319 CD2 TYR A 428 -0.096 8.341 6.902 1.00 0.00 C ATOM 320 CE1 TYR A 428 -0.063 10.845 5.553 1.00 0.00 C ATOM 321 CE2 TYR A 428 1.105 9.081 6.804 1.00 0.00 C ATOM 322 CZ TYR A 428 1.126 10.331 6.132 1.00 0.00 C ATOM 323 OH TYR A 428 2.304 11.046 6.039 1.00 0.00 O ATOM 0 H TYR A 428 -2.202 5.653 6.271 1.00 0.00 H new ATOM 0 HA TYR A 428 -3.962 7.477 4.748 1.00 0.00 H new ATOM 0 HB2 TYR A 428 -3.429 8.781 6.599 1.00 0.00 H new ATOM 0 HB3 TYR A 428 -2.575 7.389 7.234 1.00 0.00 H new ATOM 0 HD1 TYR A 428 -2.175 10.500 5.200 1.00 0.00 H new ATOM 0 HD2 TYR A 428 -0.107 7.391 7.416 1.00 0.00 H new ATOM 0 HE1 TYR A 428 -0.048 11.797 5.043 1.00 0.00 H new ATOM 0 HE2 TYR A 428 2.012 8.693 7.243 1.00 0.00 H new ATOM 0 HH TYR A 428 3.022 10.554 6.489 1.00 0.00 H new ATOM 333 N ARG A 429 -1.205 6.869 3.328 1.00 0.00 N ATOM 334 CA ARG A 429 -0.369 7.299 2.160 1.00 0.00 C ATOM 335 C ARG A 429 -0.990 6.784 0.853 1.00 0.00 C ATOM 336 O ARG A 429 -1.549 5.703 0.816 1.00 0.00 O ATOM 337 CB ARG A 429 1.040 6.708 2.379 1.00 0.00 C ATOM 338 CG ARG A 429 1.006 5.176 2.376 1.00 0.00 C ATOM 339 CD ARG A 429 2.426 4.637 2.159 1.00 0.00 C ATOM 340 NE ARG A 429 2.873 5.135 0.806 1.00 0.00 N ATOM 341 CZ ARG A 429 4.160 5.238 0.511 1.00 0.00 C ATOM 342 NH1 ARG A 429 5.091 4.838 1.347 1.00 0.00 N ATOM 343 NH2 ARG A 429 4.522 5.730 -0.647 1.00 0.00 N ATOM 0 H ARG A 429 -1.065 5.907 3.636 1.00 0.00 H new ATOM 0 HA ARG A 429 -0.316 8.385 2.084 1.00 0.00 H new ATOM 0 HB2 ARG A 429 1.711 7.061 1.596 1.00 0.00 H new ATOM 0 HB3 ARG A 429 1.443 7.063 3.327 1.00 0.00 H new ATOM 0 HG2 ARG A 429 0.606 4.808 3.321 1.00 0.00 H new ATOM 0 HG3 ARG A 429 0.344 4.817 1.588 1.00 0.00 H new ATOM 0 HD2 ARG A 429 3.098 4.988 2.942 1.00 0.00 H new ATOM 0 HD3 ARG A 429 2.437 3.548 2.194 1.00 0.00 H new ATOM 0 HE ARG A 429 2.175 5.396 0.110 1.00 0.00 H new ATOM 0 HH11 ARG A 429 4.830 4.437 2.248 1.00 0.00 H new ATOM 0 HH12 ARG A 429 6.075 4.928 1.095 1.00 0.00 H new ATOM 0 HH21 ARG A 429 3.814 6.032 -1.317 1.00 0.00 H new ATOM 0 HH22 ARG A 429 5.512 5.812 -0.879 1.00 0.00 H new ATOM 357 N LYS A 430 -0.900 7.546 -0.219 1.00 0.00 N ATOM 358 CA LYS A 430 -1.491 7.086 -1.512 1.00 0.00 C ATOM 359 C LYS A 430 -0.679 7.623 -2.703 1.00 0.00 C ATOM 360 O LYS A 430 -1.121 8.509 -3.410 1.00 0.00 O ATOM 361 CB LYS A 430 -2.924 7.636 -1.531 1.00 0.00 C ATOM 362 CG LYS A 430 -2.918 9.171 -1.460 1.00 0.00 C ATOM 363 CD LYS A 430 -3.859 9.642 -0.346 1.00 0.00 C ATOM 364 CE LYS A 430 -3.862 11.171 -0.289 1.00 0.00 C ATOM 365 NZ LYS A 430 -4.049 11.498 1.151 1.00 0.00 N ATOM 0 H LYS A 430 -0.445 8.459 -0.249 1.00 0.00 H new ATOM 0 HA LYS A 430 -1.480 5.999 -1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 430 -3.431 7.311 -2.439 1.00 0.00 H new ATOM 0 HB3 LYS A 430 -3.486 7.230 -0.690 1.00 0.00 H new ATOM 0 HG2 LYS A 430 -1.907 9.532 -1.271 1.00 0.00 H new ATOM 0 HG3 LYS A 430 -3.233 9.590 -2.416 1.00 0.00 H new ATOM 0 HD2 LYS A 430 -4.868 9.273 -0.528 1.00 0.00 H new ATOM 0 HD3 LYS A 430 -3.538 9.233 0.612 1.00 0.00 H new ATOM 0 HE2 LYS A 430 -2.927 11.583 -0.670 1.00 0.00 H new ATOM 0 HE3 LYS A 430 -4.665 11.588 -0.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 430 -4.062 12.531 1.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 430 -4.950 11.098 1.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 430 -3.266 11.094 1.703 1.00 0.00 H new ATOM 379 N ASN A 431 0.498 7.081 -2.945 1.00 0.00 N ATOM 380 CA ASN A 431 1.316 7.557 -4.108 1.00 0.00 C ATOM 381 C ASN A 431 1.136 6.579 -5.279 1.00 0.00 C ATOM 382 O ASN A 431 0.443 5.590 -5.137 1.00 0.00 O ATOM 383 CB ASN A 431 2.776 7.567 -3.624 1.00 0.00 C ATOM 384 CG ASN A 431 3.298 9.009 -3.574 1.00 0.00 C ATOM 385 OD1 ASN A 431 2.614 9.893 -3.095 1.00 0.00 O ATOM 386 ND2 ASN A 431 4.487 9.293 -4.050 1.00 0.00 N ATOM 0 H ASN A 431 0.922 6.337 -2.391 1.00 0.00 H new ATOM 0 HA ASN A 431 1.017 8.547 -4.451 1.00 0.00 H new ATOM 0 HB2 ASN A 431 2.844 7.112 -2.636 1.00 0.00 H new ATOM 0 HB3 ASN A 431 3.395 6.970 -4.294 1.00 0.00 H new ATOM 0 HD21 ASN A 431 4.834 10.252 -4.017 1.00 0.00 H new ATOM 0 HD22 ASN A 431 5.065 8.555 -4.453 1.00 0.00 H new ATOM 393 N PRO A 432 1.754 6.875 -6.404 1.00 0.00 N ATOM 394 CA PRO A 432 1.623 5.979 -7.575 1.00 0.00 C ATOM 395 C PRO A 432 2.383 4.662 -7.344 1.00 0.00 C ATOM 396 O PRO A 432 1.838 3.592 -7.543 1.00 0.00 O ATOM 397 CB PRO A 432 2.237 6.783 -8.721 1.00 0.00 C ATOM 398 CG PRO A 432 3.165 7.756 -8.068 1.00 0.00 C ATOM 399 CD PRO A 432 2.613 8.039 -6.692 1.00 0.00 C ATOM 0 HA PRO A 432 0.591 5.691 -7.776 1.00 0.00 H new ATOM 0 HB2 PRO A 432 2.772 6.134 -9.414 1.00 0.00 H new ATOM 0 HB3 PRO A 432 1.468 7.298 -9.296 1.00 0.00 H new ATOM 0 HG2 PRO A 432 4.172 7.344 -8.002 1.00 0.00 H new ATOM 0 HG3 PRO A 432 3.234 8.674 -8.652 1.00 0.00 H new ATOM 0 HD2 PRO A 432 3.410 8.138 -5.955 1.00 0.00 H new ATOM 0 HD3 PRO A 432 2.044 8.969 -6.674 1.00 0.00 H new ATOM 407 N GLN A 433 3.636 4.721 -6.943 1.00 0.00 N ATOM 408 CA GLN A 433 4.412 3.460 -6.726 1.00 0.00 C ATOM 409 C GLN A 433 3.938 2.692 -5.465 1.00 0.00 C ATOM 410 O GLN A 433 4.192 1.509 -5.346 1.00 0.00 O ATOM 411 CB GLN A 433 5.900 3.874 -6.625 1.00 0.00 C ATOM 412 CG GLN A 433 6.177 4.670 -5.335 1.00 0.00 C ATOM 413 CD GLN A 433 6.263 3.717 -4.140 1.00 0.00 C ATOM 414 OE1 GLN A 433 5.634 3.952 -3.127 1.00 0.00 O ATOM 415 NE2 GLN A 433 7.013 2.653 -4.200 1.00 0.00 N ATOM 0 H GLN A 433 4.148 5.584 -6.759 1.00 0.00 H new ATOM 0 HA GLN A 433 4.257 2.767 -7.553 1.00 0.00 H new ATOM 0 HB2 GLN A 433 6.529 2.984 -6.647 1.00 0.00 H new ATOM 0 HB3 GLN A 433 6.171 4.477 -7.492 1.00 0.00 H new ATOM 0 HG2 GLN A 433 7.109 5.227 -5.434 1.00 0.00 H new ATOM 0 HG3 GLN A 433 5.385 5.401 -5.172 1.00 0.00 H new ATOM 0 HE21 GLN A 433 7.543 2.450 -5.047 1.00 0.00 H new ATOM 0 HE22 GLN A 433 7.070 2.023 -3.400 1.00 0.00 H new ATOM 424 N HIS A 434 3.276 3.336 -4.510 1.00 0.00 N ATOM 425 CA HIS A 434 2.839 2.575 -3.276 1.00 0.00 C ATOM 426 C HIS A 434 1.690 1.599 -3.596 1.00 0.00 C ATOM 427 O HIS A 434 1.592 0.557 -2.976 1.00 0.00 O ATOM 428 CB HIS A 434 2.400 3.605 -2.215 1.00 0.00 C ATOM 429 CG HIS A 434 2.015 2.869 -0.950 1.00 0.00 C ATOM 430 ND1 HIS A 434 2.915 2.076 -0.242 1.00 0.00 N ATOM 431 CD2 HIS A 434 0.818 2.740 -0.296 1.00 0.00 C ATOM 432 CE1 HIS A 434 2.237 1.505 0.776 1.00 0.00 C ATOM 433 NE2 HIS A 434 0.962 1.879 0.778 1.00 0.00 N ATOM 0 H HIS A 434 3.027 4.325 -4.530 1.00 0.00 H new ATOM 0 HA HIS A 434 3.668 1.975 -2.902 1.00 0.00 H new ATOM 0 HB2 HIS A 434 3.210 4.306 -2.012 1.00 0.00 H new ATOM 0 HB3 HIS A 434 1.557 4.190 -2.583 1.00 0.00 H new ATOM 0 HD1 HIS A 434 3.905 1.950 -0.454 1.00 0.00 H new ATOM 0 HD2 HIS A 434 -0.100 3.236 -0.576 1.00 0.00 H new ATOM 0 HE1 HIS A 434 2.675 0.830 1.497 1.00 0.00 H new ATOM 441 N LYS A 435 0.842 1.887 -4.566 1.00 0.00 N ATOM 442 CA LYS A 435 -0.253 0.903 -4.904 1.00 0.00 C ATOM 443 C LYS A 435 0.335 -0.259 -5.734 1.00 0.00 C ATOM 444 O LYS A 435 -0.224 -1.337 -5.770 1.00 0.00 O ATOM 445 CB LYS A 435 -1.306 1.661 -5.733 1.00 0.00 C ATOM 446 CG LYS A 435 -2.400 2.203 -4.810 1.00 0.00 C ATOM 447 CD LYS A 435 -1.897 3.464 -4.100 1.00 0.00 C ATOM 448 CE LYS A 435 -1.430 3.108 -2.687 1.00 0.00 C ATOM 449 NZ LYS A 435 -2.627 3.316 -1.825 1.00 0.00 N ATOM 0 H LYS A 435 0.857 2.739 -5.127 1.00 0.00 H new ATOM 0 HA LYS A 435 -0.700 0.488 -4.001 1.00 0.00 H new ATOM 0 HB2 LYS A 435 -0.835 2.481 -6.274 1.00 0.00 H new ATOM 0 HB3 LYS A 435 -1.743 0.996 -6.479 1.00 0.00 H new ATOM 0 HG2 LYS A 435 -3.296 2.432 -5.387 1.00 0.00 H new ATOM 0 HG3 LYS A 435 -2.678 1.447 -4.076 1.00 0.00 H new ATOM 0 HD2 LYS A 435 -1.076 3.908 -4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 435 -2.692 4.209 -4.054 1.00 0.00 H new ATOM 0 HE2 LYS A 435 -1.079 2.077 -2.635 1.00 0.00 H new ATOM 0 HE3 LYS A 435 -0.602 3.743 -2.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 -2.387 3.092 -0.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 -2.934 4.308 -1.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 -3.397 2.694 -2.144 1.00 0.00 H new ATOM 463 N ILE A 436 1.474 -0.056 -6.379 1.00 0.00 N ATOM 464 CA ILE A 436 2.096 -1.170 -7.175 1.00 0.00 C ATOM 465 C ILE A 436 3.146 -1.907 -6.319 1.00 0.00 C ATOM 466 O ILE A 436 3.357 -3.089 -6.509 1.00 0.00 O ATOM 467 CB ILE A 436 2.692 -0.576 -8.510 1.00 0.00 C ATOM 468 CG1 ILE A 436 3.846 -1.466 -9.056 1.00 0.00 C ATOM 469 CG2 ILE A 436 3.195 0.866 -8.356 1.00 0.00 C ATOM 470 CD1 ILE A 436 5.180 -1.147 -8.345 1.00 0.00 C ATOM 0 H ILE A 436 1.990 0.824 -6.386 1.00 0.00 H new ATOM 0 HA ILE A 436 1.347 -1.912 -7.452 1.00 0.00 H new ATOM 0 HB ILE A 436 1.866 -0.565 -9.221 1.00 0.00 H new ATOM 0 HG12 ILE A 436 3.597 -2.518 -8.913 1.00 0.00 H new ATOM 0 HG13 ILE A 436 3.955 -1.307 -10.129 1.00 0.00 H new ATOM 0 HG21 ILE A 436 3.592 1.216 -9.309 1.00 0.00 H new ATOM 0 HG22 ILE A 436 2.370 1.508 -8.049 1.00 0.00 H new ATOM 0 HG23 ILE A 436 3.981 0.899 -7.601 1.00 0.00 H new ATOM 0 HD11 ILE A 436 5.968 -1.784 -8.747 1.00 0.00 H new ATOM 0 HD12 ILE A 436 5.439 -0.101 -8.510 1.00 0.00 H new ATOM 0 HD13 ILE A 436 5.075 -1.330 -7.276 1.00 0.00 H new ATOM 482 N GLU A 437 3.819 -1.248 -5.394 1.00 0.00 N ATOM 483 CA GLU A 437 4.848 -1.989 -4.574 1.00 0.00 C ATOM 484 C GLU A 437 4.159 -2.927 -3.567 1.00 0.00 C ATOM 485 O GLU A 437 4.554 -4.067 -3.433 1.00 0.00 O ATOM 486 CB GLU A 437 5.708 -0.938 -3.839 1.00 0.00 C ATOM 487 CG GLU A 437 7.063 -0.795 -4.545 1.00 0.00 C ATOM 488 CD GLU A 437 8.168 -0.597 -3.505 1.00 0.00 C ATOM 489 OE1 GLU A 437 8.434 -1.532 -2.770 1.00 0.00 O ATOM 490 OE2 GLU A 437 8.729 0.486 -3.464 1.00 0.00 O ATOM 0 H GLU A 437 3.707 -0.258 -5.174 1.00 0.00 H new ATOM 0 HA GLU A 437 5.475 -2.605 -5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 437 5.192 0.022 -3.823 1.00 0.00 H new ATOM 0 HB3 GLU A 437 5.857 -1.237 -2.801 1.00 0.00 H new ATOM 0 HG2 GLU A 437 7.268 -1.683 -5.143 1.00 0.00 H new ATOM 0 HG3 GLU A 437 7.039 0.052 -5.230 1.00 0.00 H new ATOM 497 N TYR A 438 3.144 -2.470 -2.849 1.00 0.00 N ATOM 498 CA TYR A 438 2.465 -3.362 -1.861 1.00 0.00 C ATOM 499 C TYR A 438 0.947 -3.379 -2.127 1.00 0.00 C ATOM 500 O TYR A 438 0.441 -2.554 -2.865 1.00 0.00 O ATOM 501 CB TYR A 438 2.748 -2.717 -0.499 1.00 0.00 C ATOM 502 CG TYR A 438 4.238 -2.671 -0.232 1.00 0.00 C ATOM 503 CD1 TYR A 438 4.899 -3.809 0.305 1.00 0.00 C ATOM 504 CD2 TYR A 438 4.975 -1.484 -0.501 1.00 0.00 C ATOM 505 CE1 TYR A 438 6.294 -3.763 0.571 1.00 0.00 C ATOM 506 CE2 TYR A 438 6.370 -1.437 -0.231 1.00 0.00 C ATOM 507 CZ TYR A 438 7.029 -2.577 0.303 1.00 0.00 C ATOM 508 OH TYR A 438 8.382 -2.531 0.572 1.00 0.00 O ATOM 0 H TYR A 438 2.767 -1.524 -2.911 1.00 0.00 H new ATOM 0 HA TYR A 438 2.819 -4.391 -1.917 1.00 0.00 H new ATOM 0 HB2 TYR A 438 2.337 -1.708 -0.476 1.00 0.00 H new ATOM 0 HB3 TYR A 438 2.249 -3.282 0.288 1.00 0.00 H new ATOM 0 HD1 TYR A 438 4.340 -4.710 0.511 1.00 0.00 H new ATOM 0 HD2 TYR A 438 4.475 -0.619 -0.910 1.00 0.00 H new ATOM 0 HE1 TYR A 438 6.795 -4.629 0.977 1.00 0.00 H new ATOM 0 HE2 TYR A 438 6.929 -0.535 -0.432 1.00 0.00 H new ATOM 0 HH TYR A 438 8.734 -1.649 0.330 1.00 0.00 H new ATOM 518 N ARG A 439 0.203 -4.274 -1.501 1.00 0.00 N ATOM 519 CA ARG A 439 -1.283 -4.284 -1.690 1.00 0.00 C ATOM 520 C ARG A 439 -1.950 -4.175 -0.313 1.00 0.00 C ATOM 521 O ARG A 439 -1.319 -4.428 0.699 1.00 0.00 O ATOM 522 CB ARG A 439 -1.645 -5.624 -2.371 1.00 0.00 C ATOM 523 CG ARG A 439 -1.466 -6.806 -1.404 1.00 0.00 C ATOM 524 CD ARG A 439 -1.648 -8.131 -2.160 1.00 0.00 C ATOM 525 NE ARG A 439 -2.995 -8.080 -2.837 1.00 0.00 N ATOM 526 CZ ARG A 439 -3.270 -8.864 -3.871 1.00 0.00 C ATOM 527 NH1 ARG A 439 -2.365 -9.671 -4.385 1.00 0.00 N ATOM 528 NH2 ARG A 439 -4.465 -8.841 -4.401 1.00 0.00 N ATOM 0 H ARG A 439 0.564 -4.991 -0.872 1.00 0.00 H new ATOM 0 HA ARG A 439 -1.624 -3.452 -2.306 1.00 0.00 H new ATOM 0 HB2 ARG A 439 -2.677 -5.590 -2.721 1.00 0.00 H new ATOM 0 HB3 ARG A 439 -1.016 -5.770 -3.249 1.00 0.00 H new ATOM 0 HG2 ARG A 439 -0.476 -6.769 -0.950 1.00 0.00 H new ATOM 0 HG3 ARG A 439 -2.191 -6.737 -0.593 1.00 0.00 H new ATOM 0 HD2 ARG A 439 -0.854 -8.267 -2.894 1.00 0.00 H new ATOM 0 HD3 ARG A 439 -1.595 -8.976 -1.473 1.00 0.00 H new ATOM 0 HE ARG A 439 -3.705 -7.433 -2.494 1.00 0.00 H new ATOM 0 HH11 ARG A 439 -1.426 -9.703 -3.988 1.00 0.00 H new ATOM 0 HH12 ARG A 439 -2.603 -10.264 -5.180 1.00 0.00 H new ATOM 0 HH21 ARG A 439 -5.180 -8.222 -4.019 1.00 0.00 H new ATOM 0 HH22 ARG A 439 -4.682 -9.442 -5.196 1.00 0.00 H new ATOM 542 N HIS A 440 -3.207 -3.809 -0.253 1.00 0.00 N ATOM 543 CA HIS A 440 -3.876 -3.700 1.078 1.00 0.00 C ATOM 544 C HIS A 440 -4.935 -4.810 1.282 1.00 0.00 C ATOM 545 O HIS A 440 -5.474 -4.942 2.365 1.00 0.00 O ATOM 546 CB HIS A 440 -4.507 -2.294 1.093 1.00 0.00 C ATOM 547 CG HIS A 440 -3.420 -1.266 0.878 1.00 0.00 C ATOM 548 ND1 HIS A 440 -2.899 -0.999 -0.384 1.00 0.00 N ATOM 549 CD2 HIS A 440 -2.686 -0.502 1.752 1.00 0.00 C ATOM 550 CE1 HIS A 440 -1.887 -0.128 -0.231 1.00 0.00 C ATOM 551 NE2 HIS A 440 -1.723 0.209 1.048 1.00 0.00 N ATOM 0 H HIS A 440 -3.792 -3.584 -1.058 1.00 0.00 H new ATOM 0 HA HIS A 440 -3.170 -3.833 1.898 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -5.263 -2.212 0.312 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -5.010 -2.117 2.044 1.00 0.00 H new ATOM 0 HD1 HIS A 440 -3.226 -1.393 -1.266 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -2.835 -0.461 2.821 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -1.283 0.251 -1.042 1.00 0.00 H new ATOM 559 N ASN A 441 -5.266 -5.603 0.270 1.00 0.00 N ATOM 560 CA ASN A 441 -6.299 -6.663 0.450 1.00 0.00 C ATOM 561 C ASN A 441 -5.815 -8.007 -0.147 1.00 0.00 C ATOM 562 O ASN A 441 -5.362 -8.058 -1.276 1.00 0.00 O ATOM 563 CB ASN A 441 -7.509 -6.146 -0.341 1.00 0.00 C ATOM 564 CG ASN A 441 -7.167 -6.139 -1.844 1.00 0.00 C ATOM 565 OD1 ASN A 441 -7.392 -7.118 -2.527 1.00 0.00 O ATOM 566 ND2 ASN A 441 -6.613 -5.092 -2.390 1.00 0.00 N ATOM 0 H ASN A 441 -4.859 -5.551 -0.664 1.00 0.00 H new ATOM 0 HA ASN A 441 -6.523 -6.848 1.501 1.00 0.00 H new ATOM 0 HB2 ASN A 441 -8.377 -6.779 -0.156 1.00 0.00 H new ATOM 0 HB3 ASN A 441 -7.772 -5.141 -0.011 1.00 0.00 H new ATOM 0 HD21 ASN A 441 -6.373 -5.101 -3.381 1.00 0.00 H new ATOM 0 HD22 ASN A 441 -6.420 -4.265 -1.826 1.00 0.00 H new ATOM 573 N THR A 442 -5.895 -9.083 0.591 1.00 0.00 N ATOM 574 CA THR A 442 -5.437 -10.394 0.052 1.00 0.00 C ATOM 575 C THR A 442 -6.650 -11.217 -0.400 1.00 0.00 C ATOM 576 O THR A 442 -6.947 -12.256 0.159 1.00 0.00 O ATOM 577 CB THR A 442 -4.698 -11.091 1.199 1.00 0.00 C ATOM 578 OG1 THR A 442 -5.427 -10.911 2.404 1.00 0.00 O ATOM 579 CG2 THR A 442 -3.307 -10.481 1.346 1.00 0.00 C ATOM 0 H THR A 442 -6.258 -9.109 1.544 1.00 0.00 H new ATOM 0 HA THR A 442 -4.784 -10.276 -0.813 1.00 0.00 H new ATOM 0 HB THR A 442 -4.607 -12.156 0.986 1.00 0.00 H new ATOM 0 HG1 THR A 442 -4.958 -11.357 3.140 1.00 0.00 H new ATOM 0 HG21 THR A 442 -2.778 -10.974 2.161 1.00 0.00 H new ATOM 0 HG22 THR A 442 -2.751 -10.616 0.418 1.00 0.00 H new ATOM 0 HG23 THR A 442 -3.398 -9.417 1.564 1.00 0.00 H new ATOM 587 N LEU A 443 -7.342 -10.763 -1.421 1.00 0.00 N ATOM 588 CA LEU A 443 -8.534 -11.525 -1.936 1.00 0.00 C ATOM 589 C LEU A 443 -8.180 -12.217 -3.273 1.00 0.00 C ATOM 590 O LEU A 443 -7.320 -11.746 -3.992 1.00 0.00 O ATOM 591 CB LEU A 443 -9.633 -10.472 -2.143 1.00 0.00 C ATOM 592 CG LEU A 443 -10.597 -10.496 -0.953 1.00 0.00 C ATOM 593 CD1 LEU A 443 -10.052 -9.606 0.168 1.00 0.00 C ATOM 594 CD2 LEU A 443 -11.973 -9.983 -1.393 1.00 0.00 C ATOM 0 H LEU A 443 -7.135 -9.899 -1.921 1.00 0.00 H new ATOM 0 HA LEU A 443 -8.854 -12.306 -1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 443 -9.188 -9.482 -2.244 1.00 0.00 H new ATOM 0 HB3 LEU A 443 -10.175 -10.674 -3.067 1.00 0.00 H new ATOM 0 HG LEU A 443 -10.693 -11.519 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 443 -10.739 -9.624 1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 443 -9.077 -9.976 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 443 -9.951 -8.583 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 443 -12.657 -10.001 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 443 -11.880 -8.962 -1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 443 -12.363 -10.621 -2.186 1.00 0.00 H new ATOM 606 N PRO A 444 -8.839 -13.327 -3.561 1.00 0.00 N ATOM 607 CA PRO A 444 -8.554 -14.077 -4.818 1.00 0.00 C ATOM 608 C PRO A 444 -9.131 -13.355 -6.046 1.00 0.00 C ATOM 609 O PRO A 444 -10.139 -12.682 -5.956 1.00 0.00 O ATOM 610 CB PRO A 444 -9.249 -15.419 -4.603 1.00 0.00 C ATOM 611 CG PRO A 444 -10.338 -15.144 -3.616 1.00 0.00 C ATOM 612 CD PRO A 444 -9.894 -13.980 -2.765 1.00 0.00 C ATOM 0 HA PRO A 444 -7.486 -14.175 -5.011 1.00 0.00 H new ATOM 0 HB2 PRO A 444 -9.654 -15.807 -5.538 1.00 0.00 H new ATOM 0 HB3 PRO A 444 -8.553 -16.166 -4.223 1.00 0.00 H new ATOM 0 HG2 PRO A 444 -11.271 -14.910 -4.129 1.00 0.00 H new ATOM 0 HG3 PRO A 444 -10.526 -16.022 -2.998 1.00 0.00 H new ATOM 0 HD2 PRO A 444 -10.720 -13.298 -2.563 1.00 0.00 H new ATOM 0 HD3 PRO A 444 -9.514 -14.315 -1.800 1.00 0.00 H new ATOM 620 N VAL A 445 -8.498 -13.491 -7.200 1.00 0.00 N ATOM 621 CA VAL A 445 -9.020 -12.809 -8.428 1.00 0.00 C ATOM 622 C VAL A 445 -8.649 -13.617 -9.691 1.00 0.00 C ATOM 623 O VAL A 445 -8.045 -13.093 -10.608 1.00 0.00 O ATOM 624 CB VAL A 445 -8.336 -11.432 -8.457 1.00 0.00 C ATOM 625 CG1 VAL A 445 -8.822 -10.632 -9.675 1.00 0.00 C ATOM 626 CG2 VAL A 445 -8.670 -10.656 -7.178 1.00 0.00 C ATOM 0 H VAL A 445 -7.650 -14.041 -7.337 1.00 0.00 H new ATOM 0 HA VAL A 445 -10.106 -12.722 -8.410 1.00 0.00 H new ATOM 0 HB VAL A 445 -7.258 -11.577 -8.523 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -8.333 -9.658 -9.689 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -8.576 -11.174 -10.588 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -9.902 -10.495 -9.613 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -8.182 -9.682 -7.206 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -9.749 -10.520 -7.107 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -8.317 -11.214 -6.311 1.00 0.00 H new ATOM 636 N ARG A 446 -9.014 -14.885 -9.751 1.00 0.00 N ATOM 637 CA ARG A 446 -8.686 -15.712 -10.972 1.00 0.00 C ATOM 638 C ARG A 446 -9.232 -17.152 -10.855 1.00 0.00 C ATOM 639 O ARG A 446 -9.773 -17.677 -11.810 1.00 0.00 O ATOM 640 CB ARG A 446 -7.148 -15.734 -11.104 1.00 0.00 C ATOM 641 CG ARG A 446 -6.490 -16.157 -9.786 1.00 0.00 C ATOM 642 CD ARG A 446 -4.985 -15.851 -9.847 1.00 0.00 C ATOM 643 NE ARG A 446 -4.315 -16.831 -8.917 1.00 0.00 N ATOM 644 CZ ARG A 446 -3.049 -17.188 -9.092 1.00 0.00 C ATOM 645 NH1 ARG A 446 -2.315 -16.676 -10.055 1.00 0.00 N ATOM 646 NH2 ARG A 446 -2.506 -18.056 -8.279 1.00 0.00 N ATOM 0 H ARG A 446 -9.520 -15.379 -9.016 1.00 0.00 H new ATOM 0 HA ARG A 446 -9.155 -15.272 -11.852 1.00 0.00 H new ATOM 0 HB2 ARG A 446 -6.857 -16.423 -11.897 1.00 0.00 H new ATOM 0 HB3 ARG A 446 -6.790 -14.746 -11.393 1.00 0.00 H new ATOM 0 HG2 ARG A 446 -6.947 -15.626 -8.951 1.00 0.00 H new ATOM 0 HG3 ARG A 446 -6.649 -17.221 -9.612 1.00 0.00 H new ATOM 0 HD2 ARG A 446 -4.607 -15.959 -10.864 1.00 0.00 H new ATOM 0 HD3 ARG A 446 -4.784 -14.825 -9.540 1.00 0.00 H new ATOM 0 HE ARG A 446 -4.844 -17.226 -8.140 1.00 0.00 H new ATOM 0 HH11 ARG A 446 -2.716 -15.986 -10.690 1.00 0.00 H new ATOM 0 HH12 ARG A 446 -1.344 -16.968 -10.167 1.00 0.00 H new ATOM 0 HH21 ARG A 446 -3.055 -18.454 -7.517 1.00 0.00 H new ATOM 0 HH22 ARG A 446 -1.533 -18.336 -8.407 1.00 0.00 H new ATOM 660 N ASN A 447 -9.105 -17.800 -9.711 1.00 0.00 N ATOM 661 CA ASN A 447 -9.633 -19.200 -9.591 1.00 0.00 C ATOM 662 C ASN A 447 -10.989 -19.194 -8.869 1.00 0.00 C ATOM 663 O ASN A 447 -11.053 -19.356 -7.666 1.00 0.00 O ATOM 664 CB ASN A 447 -8.591 -19.977 -8.777 1.00 0.00 C ATOM 665 CG ASN A 447 -7.463 -20.445 -9.705 1.00 0.00 C ATOM 666 OD1 ASN A 447 -6.342 -19.990 -9.587 1.00 0.00 O ATOM 667 ND2 ASN A 447 -7.706 -21.340 -10.632 1.00 0.00 N ATOM 0 H ASN A 447 -8.666 -17.424 -8.871 1.00 0.00 H new ATOM 0 HA ASN A 447 -9.791 -19.656 -10.568 1.00 0.00 H new ATOM 0 HB2 ASN A 447 -8.187 -19.345 -7.986 1.00 0.00 H new ATOM 0 HB3 ASN A 447 -9.058 -20.835 -8.293 1.00 0.00 H new ATOM 0 HD21 ASN A 447 -6.956 -21.651 -11.250 1.00 0.00 H new ATOM 0 HD22 ASN A 447 -8.645 -21.725 -10.735 1.00 0.00 H new ATOM 674 N VAL A 448 -12.074 -19.008 -9.594 1.00 0.00 N ATOM 675 CA VAL A 448 -13.424 -18.996 -8.929 1.00 0.00 C ATOM 676 C VAL A 448 -14.083 -20.382 -8.973 1.00 0.00 C ATOM 677 O VAL A 448 -14.801 -20.759 -8.065 1.00 0.00 O ATOM 678 CB VAL A 448 -14.271 -17.964 -9.691 1.00 0.00 C ATOM 679 CG1 VAL A 448 -15.645 -17.836 -9.031 1.00 0.00 C ATOM 680 CG2 VAL A 448 -13.570 -16.603 -9.664 1.00 0.00 C ATOM 0 H VAL A 448 -12.084 -18.866 -10.604 1.00 0.00 H new ATOM 0 HA VAL A 448 -13.333 -18.735 -7.875 1.00 0.00 H new ATOM 0 HB VAL A 448 -14.392 -18.293 -10.723 1.00 0.00 H new ATOM 0 HG11 VAL A 448 -16.243 -17.104 -9.574 1.00 0.00 H new ATOM 0 HG12 VAL A 448 -16.149 -18.802 -9.050 1.00 0.00 H new ATOM 0 HG13 VAL A 448 -15.523 -17.511 -7.998 1.00 0.00 H new ATOM 0 HG21 VAL A 448 -14.172 -15.873 -10.205 1.00 0.00 H new ATOM 0 HG22 VAL A 448 -13.446 -16.278 -8.631 1.00 0.00 H new ATOM 0 HG23 VAL A 448 -12.592 -16.688 -10.137 1.00 0.00 H new ATOM 690 N LEU A 449 -13.846 -21.138 -10.008 1.00 0.00 N ATOM 691 CA LEU A 449 -14.454 -22.499 -10.109 1.00 0.00 C ATOM 692 C LEU A 449 -13.405 -23.518 -10.586 1.00 0.00 C ATOM 693 O LEU A 449 -13.710 -24.409 -11.356 1.00 0.00 O ATOM 694 CB LEU A 449 -15.575 -22.356 -11.143 1.00 0.00 C ATOM 695 CG LEU A 449 -16.415 -23.645 -11.185 1.00 0.00 C ATOM 696 CD1 LEU A 449 -17.901 -23.300 -11.036 1.00 0.00 C ATOM 697 CD2 LEU A 449 -16.195 -24.366 -12.521 1.00 0.00 C ATOM 0 H LEU A 449 -13.254 -20.872 -10.795 1.00 0.00 H new ATOM 0 HA LEU A 449 -14.827 -22.857 -9.149 1.00 0.00 H new ATOM 0 HB2 LEU A 449 -16.209 -21.506 -10.890 1.00 0.00 H new ATOM 0 HB3 LEU A 449 -15.151 -22.155 -12.127 1.00 0.00 H new ATOM 0 HG LEU A 449 -16.107 -24.295 -10.366 1.00 0.00 H new ATOM 0 HD11 LEU A 449 -18.492 -24.215 -11.066 1.00 0.00 H new ATOM 0 HD12 LEU A 449 -18.064 -22.795 -10.084 1.00 0.00 H new ATOM 0 HD13 LEU A 449 -18.206 -22.644 -11.852 1.00 0.00 H new ATOM 0 HD21 LEU A 449 -16.792 -25.278 -12.545 1.00 0.00 H new ATOM 0 HD22 LEU A 449 -16.496 -23.713 -13.341 1.00 0.00 H new ATOM 0 HD23 LEU A 449 -15.140 -24.620 -12.628 1.00 0.00 H new ATOM 709 N ASP A 450 -12.168 -23.402 -10.135 1.00 0.00 N ATOM 710 CA ASP A 450 -11.103 -24.368 -10.565 1.00 0.00 C ATOM 711 C ASP A 450 -11.054 -24.485 -12.100 1.00 0.00 C ATOM 712 O ASP A 450 -10.989 -25.574 -12.638 1.00 0.00 O ATOM 713 CB ASP A 450 -11.497 -25.708 -9.937 1.00 0.00 C ATOM 714 CG ASP A 450 -11.393 -25.610 -8.414 1.00 0.00 C ATOM 715 OD1 ASP A 450 -11.900 -24.643 -7.867 1.00 0.00 O ATOM 716 OD2 ASP A 450 -10.809 -26.501 -7.821 1.00 0.00 O ATOM 0 H ASP A 450 -11.855 -22.678 -9.488 1.00 0.00 H new ATOM 0 HA ASP A 450 -10.112 -24.042 -10.247 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -12.514 -25.972 -10.226 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -10.845 -26.500 -10.306 1.00 0.00 H new ATOM 721 N GLU A 451 -11.085 -23.374 -12.809 1.00 0.00 N ATOM 722 CA GLU A 451 -11.040 -23.438 -14.301 1.00 0.00 C ATOM 723 C GLU A 451 -9.829 -22.663 -14.827 1.00 0.00 C ATOM 724 O GLU A 451 -8.827 -23.296 -15.118 1.00 0.00 O ATOM 725 CB GLU A 451 -12.341 -22.780 -14.766 1.00 0.00 C ATOM 726 CG GLU A 451 -12.880 -23.521 -15.990 1.00 0.00 C ATOM 727 CD GLU A 451 -12.262 -22.930 -17.259 1.00 0.00 C ATOM 728 OE1 GLU A 451 -11.046 -22.929 -17.356 1.00 0.00 O ATOM 729 OE2 GLU A 451 -13.015 -22.489 -18.111 1.00 0.00 O ATOM 730 OXT GLU A 451 -9.924 -21.451 -14.929 1.00 0.00 O ATOM 0 H GLU A 451 -11.139 -22.434 -12.416 1.00 0.00 H new ATOM 0 HA GLU A 451 -10.947 -24.460 -14.668 1.00 0.00 H new ATOM 0 HB2 GLU A 451 -13.078 -22.799 -13.963 1.00 0.00 H new ATOM 0 HB3 GLU A 451 -12.164 -21.733 -15.011 1.00 0.00 H new ATOM 0 HG2 GLU A 451 -12.644 -24.583 -15.918 1.00 0.00 H new ATOM 0 HG3 GLU A 451 -13.966 -23.438 -16.029 1.00 0.00 H new