USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 420 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 397 LYS NZ :NH3+ 166:sc= 0.974 (180deg=0) USER MOD Set 1.2: A 410 TYR OH : rot 180:sc= 0.851 USER MOD Single : A 389 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0624) USER MOD Single : A 390 ASN : amide:sc= 0.714 K(o=0.71,f=-0.87) USER MOD Single : A 393 SER OG : rot 79:sc= 0.981 USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 402 ASN : amide:sc= -0.0752 K(o=-0.075,f=-4.2!) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 409 HIS : no HE2:sc= 0.545 K(o=0.55,f=-2.6!) USER MOD Single : A 411 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00154) USER MOD Single : A 413 ASN : amide:sc= -0.0929 K(o=-0.093,f=-1.3) USER MOD Single : A 414 ASN : amide:sc= -0.0783 K(o=-0.078,f=-1.5) USER MOD Single : A 416 THR OG1 : rot -101:sc= 0.615 USER MOD Single : A 417 SER OG : rot 180:sc= 0.00138 USER MOD Single : A 419 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 421 LYS NZ :NH3+ 173:sc= 1.14 (180deg=1.03) USER MOD Single : A 426 THR OG1 : rot 75:sc= 1.03 USER MOD Single : A 427 MET CE :methyl -175:sc= 0 (180deg=-0.0526) USER MOD Single : A 428 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 429 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0629) USER MOD ----------------------------------------------------------------- ATOM 186 N TRP A 383 -24.578 3.767 -0.695 1.00 0.00 N ATOM 187 CA TRP A 383 -23.374 3.168 -1.264 1.00 0.00 C ATOM 188 C TRP A 383 -23.400 1.636 -1.155 1.00 0.00 C ATOM 189 O TRP A 383 -24.280 1.062 -0.518 1.00 0.00 O ATOM 190 CB TRP A 383 -22.102 3.806 -0.684 1.00 0.00 C ATOM 191 CG TRP A 383 -21.653 5.071 -1.350 1.00 0.00 C ATOM 192 CD1 TRP A 383 -22.334 6.239 -1.387 1.00 0.00 C ATOM 193 CD2 TRP A 383 -20.420 5.311 -2.088 1.00 0.00 C ATOM 194 NE1 TRP A 383 -21.614 7.181 -2.094 1.00 0.00 N ATOM 195 CE2 TRP A 383 -20.420 6.658 -2.552 1.00 0.00 C ATOM 196 CE3 TRP A 383 -19.297 4.522 -2.411 1.00 0.00 C ATOM 197 CZ2 TRP A 383 -19.362 7.192 -3.305 1.00 0.00 C ATOM 198 CZ3 TRP A 383 -18.231 5.046 -3.165 1.00 0.00 C ATOM 199 CH2 TRP A 383 -18.262 6.377 -3.614 1.00 0.00 C ATOM 0 HA TRP A 383 -23.357 3.387 -2.332 1.00 0.00 H new ATOM 0 HB2 TRP A 383 -22.270 4.012 0.373 1.00 0.00 H new ATOM 0 HB3 TRP A 383 -21.293 3.078 -0.742 1.00 0.00 H new ATOM 0 HD1 TRP A 383 -23.298 6.409 -0.931 1.00 0.00 H new ATOM 0 HE1 TRP A 383 -21.923 8.139 -2.257 1.00 0.00 H new ATOM 0 HE3 TRP A 383 -19.254 3.497 -2.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 383 -19.394 8.217 -3.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 383 -17.383 4.421 -3.400 1.00 0.00 H new ATOM 0 HH2 TRP A 383 -17.442 6.772 -4.195 1.00 0.00 H new ATOM 210 N LEU A 384 -22.438 0.974 -1.805 1.00 0.00 N ATOM 211 CA LEU A 384 -22.302 -0.476 -1.831 1.00 0.00 C ATOM 212 C LEU A 384 -20.821 -0.843 -1.774 1.00 0.00 C ATOM 213 O LEU A 384 -19.955 -0.013 -2.048 1.00 0.00 O ATOM 214 CB LEU A 384 -22.923 -1.052 -3.117 1.00 0.00 C ATOM 215 CG LEU A 384 -24.437 -0.820 -3.273 1.00 0.00 C ATOM 216 CD1 LEU A 384 -24.864 -1.211 -4.693 1.00 0.00 C ATOM 217 CD2 LEU A 384 -25.240 -1.648 -2.263 1.00 0.00 C ATOM 0 H LEU A 384 -21.714 1.451 -2.342 1.00 0.00 H new ATOM 0 HA LEU A 384 -22.824 -0.896 -0.971 1.00 0.00 H new ATOM 0 HB2 LEU A 384 -22.414 -0.614 -3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 384 -22.731 -2.125 -3.146 1.00 0.00 H new ATOM 0 HG LEU A 384 -24.639 0.235 -3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 384 -25.936 -1.048 -4.808 1.00 0.00 H new ATOM 0 HD12 LEU A 384 -24.324 -0.600 -5.416 1.00 0.00 H new ATOM 0 HD13 LEU A 384 -24.636 -2.263 -4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 384 -26.304 -1.459 -2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 384 -25.036 -2.708 -2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 384 -24.951 -1.367 -1.250 1.00 0.00 H new ATOM 229 N TRP A 385 -20.540 -2.103 -1.430 1.00 0.00 N ATOM 230 CA TRP A 385 -19.188 -2.633 -1.344 1.00 0.00 C ATOM 231 C TRP A 385 -18.428 -2.379 -2.647 1.00 0.00 C ATOM 232 O TRP A 385 -17.311 -1.869 -2.617 1.00 0.00 O ATOM 233 CB TRP A 385 -19.242 -4.127 -0.986 1.00 0.00 C ATOM 234 CG TRP A 385 -20.051 -5.002 -1.901 1.00 0.00 C ATOM 235 CD1 TRP A 385 -21.373 -5.258 -1.777 1.00 0.00 C ATOM 236 CD2 TRP A 385 -19.617 -5.741 -3.082 1.00 0.00 C ATOM 237 NE1 TRP A 385 -21.789 -6.094 -2.791 1.00 0.00 N ATOM 238 CE2 TRP A 385 -20.743 -6.424 -3.628 1.00 0.00 C ATOM 239 CE3 TRP A 385 -18.385 -5.902 -3.752 1.00 0.00 C ATOM 240 CZ2 TRP A 385 -20.651 -7.225 -4.776 1.00 0.00 C ATOM 241 CZ3 TRP A 385 -18.281 -6.701 -4.905 1.00 0.00 C ATOM 242 CH2 TRP A 385 -19.411 -7.361 -5.418 1.00 0.00 C ATOM 0 H TRP A 385 -21.260 -2.789 -1.201 1.00 0.00 H new ATOM 0 HA TRP A 385 -18.643 -2.118 -0.553 1.00 0.00 H new ATOM 0 HB2 TRP A 385 -18.222 -4.510 -0.960 1.00 0.00 H new ATOM 0 HB3 TRP A 385 -19.644 -4.223 0.023 1.00 0.00 H new ATOM 0 HD1 TRP A 385 -22.009 -4.865 -0.998 1.00 0.00 H new ATOM 0 HE1 TRP A 385 -22.746 -6.426 -2.907 1.00 0.00 H new ATOM 0 HE3 TRP A 385 -17.506 -5.402 -3.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 -21.524 -7.731 -5.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 -17.327 -6.808 -5.399 1.00 0.00 H new ATOM 0 HH2 TRP A 385 -19.325 -7.972 -6.305 1.00 0.00 H new ATOM 253 N GLU A 386 -19.037 -2.727 -3.786 1.00 0.00 N ATOM 254 CA GLU A 386 -18.445 -2.549 -5.104 1.00 0.00 C ATOM 255 C GLU A 386 -18.048 -1.087 -5.316 1.00 0.00 C ATOM 256 O GLU A 386 -16.928 -0.812 -5.736 1.00 0.00 O ATOM 257 CB GLU A 386 -19.422 -3.062 -6.174 1.00 0.00 C ATOM 258 CG GLU A 386 -18.885 -2.935 -7.609 1.00 0.00 C ATOM 259 CD GLU A 386 -17.565 -3.666 -7.850 1.00 0.00 C ATOM 260 OE1 GLU A 386 -17.316 -4.667 -7.144 1.00 0.00 O ATOM 261 OE2 GLU A 386 -16.827 -3.213 -8.751 1.00 0.00 O ATOM 0 H GLU A 386 -19.967 -3.145 -3.812 1.00 0.00 H new ATOM 0 HA GLU A 386 -17.529 -3.134 -5.187 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -19.652 -4.108 -5.972 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -20.358 -2.509 -6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -19.633 -3.322 -8.301 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -18.751 -1.879 -7.843 1.00 0.00 H new ATOM 268 N GLU A 387 -18.955 -0.156 -5.002 1.00 0.00 N ATOM 269 CA GLU A 387 -18.715 1.274 -5.124 1.00 0.00 C ATOM 270 C GLU A 387 -17.454 1.650 -4.336 1.00 0.00 C ATOM 271 O GLU A 387 -16.573 2.334 -4.857 1.00 0.00 O ATOM 272 CB GLU A 387 -19.933 2.055 -4.615 1.00 0.00 C ATOM 273 CG GLU A 387 -21.259 1.679 -5.298 1.00 0.00 C ATOM 274 CD GLU A 387 -21.591 2.635 -6.429 1.00 0.00 C ATOM 275 OE1 GLU A 387 -21.933 3.786 -6.090 1.00 0.00 O ATOM 276 OE2 GLU A 387 -21.541 2.206 -7.599 1.00 0.00 O ATOM 0 H GLU A 387 -19.886 -0.384 -4.652 1.00 0.00 H new ATOM 0 HA GLU A 387 -18.561 1.531 -6.172 1.00 0.00 H new ATOM 0 HB2 GLU A 387 -20.032 1.891 -3.542 1.00 0.00 H new ATOM 0 HB3 GLU A 387 -19.753 3.120 -4.760 1.00 0.00 H new ATOM 0 HG2 GLU A 387 -21.194 0.663 -5.686 1.00 0.00 H new ATOM 0 HG3 GLU A 387 -22.064 1.689 -4.563 1.00 0.00 H new ATOM 283 N ASP A 388 -17.357 1.192 -3.080 1.00 0.00 N ATOM 284 CA ASP A 388 -16.199 1.459 -2.235 1.00 0.00 C ATOM 285 C ASP A 388 -14.925 0.864 -2.848 1.00 0.00 C ATOM 286 O ASP A 388 -13.882 1.515 -2.825 1.00 0.00 O ATOM 287 CB ASP A 388 -16.429 0.962 -0.803 1.00 0.00 C ATOM 288 CG ASP A 388 -17.499 1.772 -0.078 1.00 0.00 C ATOM 289 OD1 ASP A 388 -17.343 3.010 0.003 1.00 0.00 O ATOM 290 OD2 ASP A 388 -18.466 1.151 0.413 1.00 0.00 O ATOM 0 H ASP A 388 -18.078 0.629 -2.629 1.00 0.00 H new ATOM 0 HA ASP A 388 -16.062 2.539 -2.181 1.00 0.00 H new ATOM 0 HB2 ASP A 388 -16.724 -0.087 -0.827 1.00 0.00 H new ATOM 0 HB3 ASP A 388 -15.494 1.018 -0.246 1.00 0.00 H new ATOM 295 N LYS A 389 -14.996 -0.351 -3.413 1.00 0.00 N ATOM 296 CA LYS A 389 -13.844 -0.971 -4.064 1.00 0.00 C ATOM 297 C LYS A 389 -13.394 -0.081 -5.225 1.00 0.00 C ATOM 298 O LYS A 389 -12.206 0.217 -5.341 1.00 0.00 O ATOM 299 CB LYS A 389 -14.155 -2.384 -4.593 1.00 0.00 C ATOM 300 CG LYS A 389 -13.819 -3.520 -3.617 1.00 0.00 C ATOM 301 CD LYS A 389 -14.846 -3.633 -2.487 1.00 0.00 C ATOM 302 CE LYS A 389 -14.554 -4.802 -1.539 1.00 0.00 C ATOM 303 NZ LYS A 389 -14.709 -6.111 -2.203 1.00 0.00 N ATOM 0 H LYS A 389 -15.842 -0.920 -3.429 1.00 0.00 H new ATOM 0 HA LYS A 389 -13.054 -1.071 -3.319 1.00 0.00 H new ATOM 0 HB2 LYS A 389 -15.214 -2.439 -4.843 1.00 0.00 H new ATOM 0 HB3 LYS A 389 -13.601 -2.542 -5.518 1.00 0.00 H new ATOM 0 HG2 LYS A 389 -13.775 -4.463 -4.161 1.00 0.00 H new ATOM 0 HG3 LYS A 389 -12.830 -3.351 -3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 389 -14.858 -2.703 -1.918 1.00 0.00 H new ATOM 0 HD3 LYS A 389 -15.840 -3.758 -2.916 1.00 0.00 H new ATOM 0 HE2 LYS A 389 -13.539 -4.710 -1.154 1.00 0.00 H new ATOM 0 HE3 LYS A 389 -15.226 -4.749 -0.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 -14.619 -6.871 -1.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 -15.646 -6.164 -2.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 -13.972 -6.222 -2.928 1.00 0.00 H new ATOM 317 N ASN A 390 -14.338 0.341 -6.073 1.00 0.00 N ATOM 318 CA ASN A 390 -14.080 1.197 -7.226 1.00 0.00 C ATOM 319 C ASN A 390 -13.359 2.467 -6.780 1.00 0.00 C ATOM 320 O ASN A 390 -12.329 2.827 -7.348 1.00 0.00 O ATOM 321 CB ASN A 390 -15.392 1.541 -7.955 1.00 0.00 C ATOM 322 CG ASN A 390 -16.210 0.332 -8.412 1.00 0.00 C ATOM 323 OD1 ASN A 390 -17.436 0.391 -8.430 1.00 0.00 O ATOM 324 ND2 ASN A 390 -15.554 -0.772 -8.770 1.00 0.00 N ATOM 0 H ASN A 390 -15.321 0.090 -5.971 1.00 0.00 H new ATOM 0 HA ASN A 390 -13.440 0.659 -7.926 1.00 0.00 H new ATOM 0 HB2 ASN A 390 -16.009 2.150 -7.294 1.00 0.00 H new ATOM 0 HB3 ASN A 390 -15.157 2.153 -8.826 1.00 0.00 H new ATOM 0 HD21 ASN A 390 -16.072 -1.598 -9.069 1.00 0.00 H new ATOM 0 HD22 ASN A 390 -14.534 -0.790 -8.745 1.00 0.00 H new ATOM 331 N LEU A 391 -13.896 3.131 -5.750 1.00 0.00 N ATOM 332 CA LEU A 391 -13.337 4.346 -5.178 1.00 0.00 C ATOM 333 C LEU A 391 -11.903 4.117 -4.705 1.00 0.00 C ATOM 334 O LEU A 391 -10.991 4.806 -5.156 1.00 0.00 O ATOM 335 CB LEU A 391 -14.252 4.824 -4.040 1.00 0.00 C ATOM 336 CG LEU A 391 -13.730 6.058 -3.290 1.00 0.00 C ATOM 337 CD1 LEU A 391 -13.617 7.275 -4.211 1.00 0.00 C ATOM 338 CD2 LEU A 391 -14.668 6.372 -2.120 1.00 0.00 C ATOM 0 H LEU A 391 -14.751 2.826 -5.285 1.00 0.00 H new ATOM 0 HA LEU A 391 -13.290 5.126 -5.938 1.00 0.00 H new ATOM 0 HB2 LEU A 391 -15.236 5.051 -4.451 1.00 0.00 H new ATOM 0 HB3 LEU A 391 -14.384 4.009 -3.328 1.00 0.00 H new ATOM 0 HG LEU A 391 -12.730 5.834 -2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 391 -13.244 8.128 -3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 391 -12.928 7.052 -5.025 1.00 0.00 H new ATOM 0 HD13 LEU A 391 -14.598 7.513 -4.621 1.00 0.00 H new ATOM 0 HD21 LEU A 391 -14.301 7.248 -1.584 1.00 0.00 H new ATOM 0 HD22 LEU A 391 -15.670 6.572 -2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 391 -14.701 5.520 -1.442 1.00 0.00 H new ATOM 350 N ARG A 392 -11.700 3.160 -3.795 1.00 0.00 N ATOM 351 CA ARG A 392 -10.385 2.863 -3.246 1.00 0.00 C ATOM 352 C ARG A 392 -9.376 2.504 -4.340 1.00 0.00 C ATOM 353 O ARG A 392 -8.233 2.953 -4.288 1.00 0.00 O ATOM 354 CB ARG A 392 -10.498 1.790 -2.156 1.00 0.00 C ATOM 355 CG ARG A 392 -9.190 1.677 -1.361 1.00 0.00 C ATOM 356 CD ARG A 392 -9.405 0.926 -0.044 1.00 0.00 C ATOM 357 NE ARG A 392 -8.179 0.922 0.770 1.00 0.00 N ATOM 358 CZ ARG A 392 -8.087 0.449 2.026 1.00 0.00 C ATOM 359 NH1 ARG A 392 -9.157 -0.087 2.629 1.00 0.00 N ATOM 360 NH2 ARG A 392 -6.920 0.518 2.680 1.00 0.00 N ATOM 0 H ARG A 392 -12.446 2.573 -3.422 1.00 0.00 H new ATOM 0 HA ARG A 392 -9.992 3.764 -2.776 1.00 0.00 H new ATOM 0 HB2 ARG A 392 -11.318 2.036 -1.481 1.00 0.00 H new ATOM 0 HB3 ARG A 392 -10.736 0.828 -2.610 1.00 0.00 H new ATOM 0 HG2 ARG A 392 -8.441 1.159 -1.960 1.00 0.00 H new ATOM 0 HG3 ARG A 392 -8.800 2.674 -1.155 1.00 0.00 H new ATOM 0 HD2 ARG A 392 -10.215 1.392 0.516 1.00 0.00 H new ATOM 0 HD3 ARG A 392 -9.710 -0.099 -0.252 1.00 0.00 H new ATOM 0 HE ARG A 392 -7.334 1.308 0.349 1.00 0.00 H new ATOM 0 HH11 ARG A 392 -10.048 -0.138 2.135 1.00 0.00 H new ATOM 0 HH12 ARG A 392 -9.080 -0.444 3.581 1.00 0.00 H new ATOM 0 HH21 ARG A 392 -6.104 0.928 2.226 1.00 0.00 H new ATOM 0 HH22 ARG A 392 -6.847 0.160 3.632 1.00 0.00 H new ATOM 374 N SER A 393 -9.788 1.713 -5.336 1.00 0.00 N ATOM 375 CA SER A 393 -8.925 1.328 -6.446 1.00 0.00 C ATOM 376 C SER A 393 -8.554 2.565 -7.269 1.00 0.00 C ATOM 377 O SER A 393 -7.392 2.743 -7.633 1.00 0.00 O ATOM 378 CB SER A 393 -9.616 0.274 -7.313 1.00 0.00 C ATOM 379 OG SER A 393 -9.928 -0.865 -6.542 1.00 0.00 O ATOM 0 H SER A 393 -10.729 1.324 -5.391 1.00 0.00 H new ATOM 0 HA SER A 393 -8.007 0.890 -6.054 1.00 0.00 H new ATOM 0 HB2 SER A 393 -10.526 0.689 -7.746 1.00 0.00 H new ATOM 0 HB3 SER A 393 -8.967 -0.007 -8.143 1.00 0.00 H new ATOM 0 HG SER A 393 -10.736 -0.692 -6.015 1.00 0.00 H new ATOM 385 N GLY A 394 -9.541 3.425 -7.544 1.00 0.00 N ATOM 386 CA GLY A 394 -9.344 4.660 -8.280 1.00 0.00 C ATOM 387 C GLY A 394 -8.307 5.524 -7.568 1.00 0.00 C ATOM 388 O GLY A 394 -7.348 5.972 -8.190 1.00 0.00 O ATOM 0 H GLY A 394 -10.507 3.273 -7.254 1.00 0.00 H new ATOM 0 HA2 GLY A 394 -9.013 4.441 -9.295 1.00 0.00 H new ATOM 0 HA3 GLY A 394 -10.287 5.200 -8.362 1.00 0.00 H new ATOM 392 N VAL A 395 -8.489 5.736 -6.260 1.00 0.00 N ATOM 393 CA VAL A 395 -7.568 6.516 -5.448 1.00 0.00 C ATOM 394 C VAL A 395 -6.181 5.866 -5.445 1.00 0.00 C ATOM 395 O VAL A 395 -5.179 6.564 -5.557 1.00 0.00 O ATOM 396 CB VAL A 395 -8.122 6.698 -4.024 1.00 0.00 C ATOM 397 CG1 VAL A 395 -7.067 7.358 -3.125 1.00 0.00 C ATOM 398 CG2 VAL A 395 -9.374 7.584 -4.035 1.00 0.00 C ATOM 0 H VAL A 395 -9.285 5.367 -5.739 1.00 0.00 H new ATOM 0 HA VAL A 395 -7.465 7.510 -5.884 1.00 0.00 H new ATOM 0 HB VAL A 395 -8.378 5.711 -3.639 1.00 0.00 H new ATOM 0 HG11 VAL A 395 -7.471 7.481 -2.120 1.00 0.00 H new ATOM 0 HG12 VAL A 395 -6.178 6.728 -3.084 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -6.802 8.334 -3.532 1.00 0.00 H new ATOM 0 HG21 VAL A 395 -9.748 7.698 -3.017 1.00 0.00 H new ATOM 0 HG22 VAL A 395 -9.123 8.564 -4.442 1.00 0.00 H new ATOM 0 HG23 VAL A 395 -10.142 7.120 -4.654 1.00 0.00 H new ATOM 408 N ARG A 396 -6.102 4.537 -5.324 1.00 0.00 N ATOM 409 CA ARG A 396 -4.826 3.830 -5.319 1.00 0.00 C ATOM 410 C ARG A 396 -4.035 4.121 -6.600 1.00 0.00 C ATOM 411 O ARG A 396 -2.827 4.338 -6.543 1.00 0.00 O ATOM 412 CB ARG A 396 -5.070 2.323 -5.147 1.00 0.00 C ATOM 413 CG ARG A 396 -3.762 1.555 -4.908 1.00 0.00 C ATOM 414 CD ARG A 396 -3.979 0.039 -4.948 1.00 0.00 C ATOM 415 NE ARG A 396 -4.939 -0.409 -3.928 1.00 0.00 N ATOM 416 CZ ARG A 396 -5.313 -1.685 -3.740 1.00 0.00 C ATOM 417 NH1 ARG A 396 -4.787 -2.664 -4.488 1.00 0.00 N ATOM 418 NH2 ARG A 396 -6.218 -1.981 -2.799 1.00 0.00 N ATOM 0 H ARG A 396 -6.915 3.929 -5.228 1.00 0.00 H new ATOM 0 HA ARG A 396 -4.228 4.184 -4.479 1.00 0.00 H new ATOM 0 HB2 ARG A 396 -5.746 2.158 -4.308 1.00 0.00 H new ATOM 0 HB3 ARG A 396 -5.564 1.931 -6.036 1.00 0.00 H new ATOM 0 HG2 ARG A 396 -3.031 1.838 -5.665 1.00 0.00 H new ATOM 0 HG3 ARG A 396 -3.346 1.838 -3.941 1.00 0.00 H new ATOM 0 HD2 ARG A 396 -4.339 -0.249 -5.936 1.00 0.00 H new ATOM 0 HD3 ARG A 396 -3.026 -0.467 -4.796 1.00 0.00 H new ATOM 0 HE ARG A 396 -5.350 0.300 -3.320 1.00 0.00 H new ATOM 0 HH11 ARG A 396 -4.097 -2.443 -5.206 1.00 0.00 H new ATOM 0 HH12 ARG A 396 -5.076 -3.631 -4.339 1.00 0.00 H new ATOM 0 HH21 ARG A 396 -6.621 -1.238 -2.228 1.00 0.00 H new ATOM 0 HH22 ARG A 396 -6.504 -2.949 -2.653 1.00 0.00 H new ATOM 432 N LYS A 397 -4.715 4.111 -7.751 1.00 0.00 N ATOM 433 CA LYS A 397 -4.094 4.334 -9.048 1.00 0.00 C ATOM 434 C LYS A 397 -3.809 5.805 -9.368 1.00 0.00 C ATOM 435 O LYS A 397 -2.676 6.154 -9.693 1.00 0.00 O ATOM 436 CB LYS A 397 -5.000 3.754 -10.143 1.00 0.00 C ATOM 437 CG LYS A 397 -5.039 2.223 -10.118 1.00 0.00 C ATOM 438 CD LYS A 397 -6.031 1.735 -11.179 1.00 0.00 C ATOM 439 CE LYS A 397 -5.995 0.210 -11.311 1.00 0.00 C ATOM 440 NZ LYS A 397 -7.000 -0.265 -12.280 1.00 0.00 N ATOM 0 H LYS A 397 -5.720 3.946 -7.802 1.00 0.00 H new ATOM 0 HA LYS A 397 -3.126 3.834 -9.012 1.00 0.00 H new ATOM 0 HB2 LYS A 397 -6.011 4.143 -10.018 1.00 0.00 H new ATOM 0 HB3 LYS A 397 -4.648 4.090 -11.118 1.00 0.00 H new ATOM 0 HG2 LYS A 397 -4.047 1.817 -10.315 1.00 0.00 H new ATOM 0 HG3 LYS A 397 -5.338 1.869 -9.131 1.00 0.00 H new ATOM 0 HD2 LYS A 397 -7.038 2.056 -10.914 1.00 0.00 H new ATOM 0 HD3 LYS A 397 -5.794 2.192 -12.140 1.00 0.00 H new ATOM 0 HE2 LYS A 397 -5.002 -0.107 -11.629 1.00 0.00 H new ATOM 0 HE3 LYS A 397 -6.179 -0.246 -10.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 -6.802 -1.255 -12.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 -7.948 -0.197 -11.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 -6.960 0.322 -13.138 1.00 0.00 H new ATOM 454 N TYR A 398 -4.846 6.648 -9.339 1.00 0.00 N ATOM 455 CA TYR A 398 -4.782 8.054 -9.735 1.00 0.00 C ATOM 456 C TYR A 398 -4.660 9.053 -8.583 1.00 0.00 C ATOM 457 O TYR A 398 -4.587 10.254 -8.840 1.00 0.00 O ATOM 458 CB TYR A 398 -6.035 8.372 -10.575 1.00 0.00 C ATOM 459 CG TYR A 398 -6.532 7.212 -11.423 1.00 0.00 C ATOM 460 CD1 TYR A 398 -5.709 6.658 -12.421 1.00 0.00 C ATOM 461 CD2 TYR A 398 -7.813 6.676 -11.200 1.00 0.00 C ATOM 462 CE1 TYR A 398 -6.166 5.573 -13.189 1.00 0.00 C ATOM 463 CE2 TYR A 398 -8.268 5.592 -11.968 1.00 0.00 C ATOM 464 CZ TYR A 398 -7.444 5.036 -12.962 1.00 0.00 C ATOM 465 OH TYR A 398 -7.886 3.981 -13.705 1.00 0.00 O ATOM 0 H TYR A 398 -5.775 6.362 -9.031 1.00 0.00 H new ATOM 0 HA TYR A 398 -3.860 8.175 -10.304 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -6.836 8.687 -9.906 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -5.815 9.216 -11.228 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -4.725 7.067 -12.597 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -8.448 7.099 -10.436 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -5.533 5.151 -13.956 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -9.253 5.185 -11.795 1.00 0.00 H new ATOM 0 HH TYR A 398 -8.790 3.734 -13.417 1.00 0.00 H new ATOM 475 N GLY A 399 -4.657 8.601 -7.326 1.00 0.00 N ATOM 476 CA GLY A 399 -4.593 9.490 -6.174 1.00 0.00 C ATOM 477 C GLY A 399 -5.978 10.086 -5.918 1.00 0.00 C ATOM 478 O GLY A 399 -6.851 10.017 -6.782 1.00 0.00 O ATOM 0 H GLY A 399 -4.699 7.611 -7.084 1.00 0.00 H new ATOM 0 HA2 GLY A 399 -4.252 8.942 -5.296 1.00 0.00 H new ATOM 0 HA3 GLY A 399 -3.870 10.285 -6.354 1.00 0.00 H new ATOM 482 N GLU A 400 -6.191 10.676 -4.737 1.00 0.00 N ATOM 483 CA GLU A 400 -7.465 11.294 -4.388 1.00 0.00 C ATOM 484 C GLU A 400 -7.531 12.727 -4.934 1.00 0.00 C ATOM 485 O GLU A 400 -6.639 13.170 -5.659 1.00 0.00 O ATOM 486 CB GLU A 400 -7.714 11.192 -2.874 1.00 0.00 C ATOM 487 CG GLU A 400 -6.610 11.770 -1.979 1.00 0.00 C ATOM 488 CD GLU A 400 -7.142 11.952 -0.561 1.00 0.00 C ATOM 489 OE1 GLU A 400 -7.963 12.875 -0.379 1.00 0.00 O ATOM 490 OE2 GLU A 400 -6.780 11.152 0.330 1.00 0.00 O ATOM 0 H GLU A 400 -5.486 10.736 -4.002 1.00 0.00 H new ATOM 0 HA GLU A 400 -8.282 10.752 -4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -8.649 11.703 -2.643 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -7.852 10.142 -2.617 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -5.748 11.103 -1.972 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -6.270 12.726 -2.376 1.00 0.00 H new ATOM 497 N GLY A 401 -8.600 13.460 -4.606 1.00 0.00 N ATOM 498 CA GLY A 401 -8.797 14.833 -5.051 1.00 0.00 C ATOM 499 C GLY A 401 -9.374 14.894 -6.465 1.00 0.00 C ATOM 500 O GLY A 401 -10.355 15.596 -6.703 1.00 0.00 O ATOM 0 H GLY A 401 -9.356 13.109 -4.019 1.00 0.00 H new ATOM 0 HA2 GLY A 401 -9.468 15.346 -4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 401 -7.846 15.364 -5.023 1.00 0.00 H new ATOM 504 N ASN A 402 -8.768 14.161 -7.408 1.00 0.00 N ATOM 505 CA ASN A 402 -9.188 14.103 -8.806 1.00 0.00 C ATOM 506 C ASN A 402 -10.400 13.177 -8.972 1.00 0.00 C ATOM 507 O ASN A 402 -10.365 12.178 -9.690 1.00 0.00 O ATOM 508 CB ASN A 402 -8.000 13.759 -9.722 1.00 0.00 C ATOM 509 CG ASN A 402 -7.361 12.392 -9.471 1.00 0.00 C ATOM 510 OD1 ASN A 402 -7.558 11.458 -10.243 1.00 0.00 O ATOM 511 ND2 ASN A 402 -6.545 12.274 -8.427 1.00 0.00 N ATOM 0 H ASN A 402 -7.953 13.580 -7.211 1.00 0.00 H new ATOM 0 HA ASN A 402 -9.526 15.089 -9.124 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -8.336 13.801 -10.758 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -7.236 14.527 -9.604 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -6.065 11.391 -8.252 1.00 0.00 H new ATOM 0 HD22 ASN A 402 -6.399 13.066 -7.801 1.00 0.00 H new ATOM 518 N TRP A 403 -11.492 13.536 -8.292 1.00 0.00 N ATOM 519 CA TRP A 403 -12.748 12.805 -8.289 1.00 0.00 C ATOM 520 C TRP A 403 -13.349 12.682 -9.686 1.00 0.00 C ATOM 521 O TRP A 403 -13.956 11.662 -9.991 1.00 0.00 O ATOM 522 CB TRP A 403 -13.713 13.445 -7.287 1.00 0.00 C ATOM 523 CG TRP A 403 -13.104 13.670 -5.938 1.00 0.00 C ATOM 524 CD1 TRP A 403 -12.963 14.861 -5.317 1.00 0.00 C ATOM 525 CD2 TRP A 403 -12.525 12.682 -5.038 1.00 0.00 C ATOM 526 NE1 TRP A 403 -12.337 14.685 -4.100 1.00 0.00 N ATOM 527 CE2 TRP A 403 -12.043 13.355 -3.878 1.00 0.00 C ATOM 528 CE3 TRP A 403 -12.355 11.282 -5.086 1.00 0.00 C ATOM 529 CZ2 TRP A 403 -11.424 12.673 -2.821 1.00 0.00 C ATOM 530 CZ3 TRP A 403 -11.734 10.589 -4.035 1.00 0.00 C ATOM 531 CH2 TRP A 403 -11.270 11.282 -2.908 1.00 0.00 C ATOM 0 H TRP A 403 -11.520 14.373 -7.710 1.00 0.00 H new ATOM 0 HA TRP A 403 -12.553 11.782 -7.968 1.00 0.00 H new ATOM 0 HB2 TRP A 403 -14.059 14.399 -7.685 1.00 0.00 H new ATOM 0 HB3 TRP A 403 -14.590 12.807 -7.180 1.00 0.00 H new ATOM 0 HD1 TRP A 403 -13.291 15.810 -5.714 1.00 0.00 H new ATOM 0 HE1 TRP A 403 -12.120 15.440 -3.449 1.00 0.00 H new ATOM 0 HE3 TRP A 403 -12.709 10.734 -5.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 403 -11.071 13.211 -1.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 403 -11.613 9.517 -4.095 1.00 0.00 H new ATOM 0 HH2 TRP A 403 -10.792 10.742 -2.104 1.00 0.00 H new ATOM 542 N SER A 404 -13.170 13.698 -10.538 1.00 0.00 N ATOM 543 CA SER A 404 -13.672 13.666 -11.905 1.00 0.00 C ATOM 544 C SER A 404 -13.020 12.502 -12.657 1.00 0.00 C ATOM 545 O SER A 404 -13.710 11.717 -13.304 1.00 0.00 O ATOM 546 CB SER A 404 -13.404 15.010 -12.594 1.00 0.00 C ATOM 547 OG SER A 404 -14.057 15.060 -13.847 1.00 0.00 O ATOM 0 H SER A 404 -12.676 14.557 -10.296 1.00 0.00 H new ATOM 0 HA SER A 404 -14.751 13.508 -11.903 1.00 0.00 H new ATOM 0 HB2 SER A 404 -13.754 15.826 -11.962 1.00 0.00 H new ATOM 0 HB3 SER A 404 -12.331 15.149 -12.730 1.00 0.00 H new ATOM 0 HG SER A 404 -13.879 15.924 -14.275 1.00 0.00 H new ATOM 553 N LYS A 405 -11.689 12.385 -12.562 1.00 0.00 N ATOM 554 CA LYS A 405 -10.945 11.312 -13.203 1.00 0.00 C ATOM 555 C LYS A 405 -11.394 9.965 -12.643 1.00 0.00 C ATOM 556 O LYS A 405 -11.696 9.066 -13.418 1.00 0.00 O ATOM 557 CB LYS A 405 -9.436 11.510 -13.019 1.00 0.00 C ATOM 558 CG LYS A 405 -8.851 12.431 -14.094 1.00 0.00 C ATOM 559 CD LYS A 405 -7.335 12.556 -13.893 1.00 0.00 C ATOM 560 CE LYS A 405 -6.715 13.375 -15.031 1.00 0.00 C ATOM 561 NZ LYS A 405 -5.251 13.498 -14.887 1.00 0.00 N ATOM 0 H LYS A 405 -11.105 13.036 -12.037 1.00 0.00 H new ATOM 0 HA LYS A 405 -11.151 11.330 -14.273 1.00 0.00 H new ATOM 0 HB2 LYS A 405 -9.242 11.932 -12.033 1.00 0.00 H new ATOM 0 HB3 LYS A 405 -8.935 10.543 -13.056 1.00 0.00 H new ATOM 0 HG2 LYS A 405 -9.065 12.032 -15.085 1.00 0.00 H new ATOM 0 HG3 LYS A 405 -9.318 13.414 -14.039 1.00 0.00 H new ATOM 0 HD2 LYS A 405 -7.126 13.034 -12.936 1.00 0.00 H new ATOM 0 HD3 LYS A 405 -6.882 11.565 -13.860 1.00 0.00 H new ATOM 0 HE2 LYS A 405 -6.947 12.904 -15.986 1.00 0.00 H new ATOM 0 HE3 LYS A 405 -7.163 14.369 -15.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 -4.870 14.059 -15.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 -5.029 13.971 -13.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 -4.821 12.551 -14.896 1.00 0.00 H new ATOM 575 N ILE A 406 -11.450 9.816 -11.314 1.00 0.00 N ATOM 576 CA ILE A 406 -11.882 8.566 -10.688 1.00 0.00 C ATOM 577 C ILE A 406 -13.268 8.165 -11.207 1.00 0.00 C ATOM 578 O ILE A 406 -13.460 7.031 -11.639 1.00 0.00 O ATOM 579 CB ILE A 406 -11.847 8.693 -9.152 1.00 0.00 C ATOM 580 CG1 ILE A 406 -10.390 8.801 -8.663 1.00 0.00 C ATOM 581 CG2 ILE A 406 -12.531 7.480 -8.499 1.00 0.00 C ATOM 582 CD1 ILE A 406 -10.293 9.389 -7.253 1.00 0.00 C ATOM 0 H ILE A 406 -11.200 10.550 -10.651 1.00 0.00 H new ATOM 0 HA ILE A 406 -11.190 7.769 -10.960 1.00 0.00 H new ATOM 0 HB ILE A 406 -12.386 9.596 -8.865 1.00 0.00 H new ATOM 0 HG12 ILE A 406 -9.931 7.812 -8.674 1.00 0.00 H new ATOM 0 HG13 ILE A 406 -9.822 9.424 -9.354 1.00 0.00 H new ATOM 0 HG21 ILE A 406 -12.498 7.584 -7.414 1.00 0.00 H new ATOM 0 HG22 ILE A 406 -13.569 7.427 -8.827 1.00 0.00 H new ATOM 0 HG23 ILE A 406 -12.011 6.568 -8.792 1.00 0.00 H new ATOM 0 HD11 ILE A 406 -9.247 9.445 -6.953 1.00 0.00 H new ATOM 0 HD12 ILE A 406 -10.727 10.389 -7.245 1.00 0.00 H new ATOM 0 HD13 ILE A 406 -10.837 8.752 -6.555 1.00 0.00 H new ATOM 594 N LEU A 407 -14.225 9.098 -11.165 1.00 0.00 N ATOM 595 CA LEU A 407 -15.597 8.901 -11.611 1.00 0.00 C ATOM 596 C LEU A 407 -15.666 8.535 -13.096 1.00 0.00 C ATOM 597 O LEU A 407 -16.513 7.741 -13.494 1.00 0.00 O ATOM 598 CB LEU A 407 -16.420 10.154 -11.273 1.00 0.00 C ATOM 599 CG LEU A 407 -17.916 10.030 -11.620 1.00 0.00 C ATOM 600 CD1 LEU A 407 -18.758 10.736 -10.550 1.00 0.00 C ATOM 601 CD2 LEU A 407 -18.228 10.660 -12.985 1.00 0.00 C ATOM 0 H LEU A 407 -14.055 10.038 -10.808 1.00 0.00 H new ATOM 0 HA LEU A 407 -16.029 8.052 -11.081 1.00 0.00 H new ATOM 0 HB2 LEU A 407 -16.320 10.366 -10.208 1.00 0.00 H new ATOM 0 HB3 LEU A 407 -16.002 11.007 -11.808 1.00 0.00 H new ATOM 0 HG LEU A 407 -18.160 8.968 -11.658 1.00 0.00 H new ATOM 0 HD11 LEU A 407 -19.815 10.645 -10.800 1.00 0.00 H new ATOM 0 HD12 LEU A 407 -18.574 10.275 -9.580 1.00 0.00 H new ATOM 0 HD13 LEU A 407 -18.484 11.790 -10.509 1.00 0.00 H new ATOM 0 HD21 LEU A 407 -19.292 10.555 -13.199 1.00 0.00 H new ATOM 0 HD22 LEU A 407 -17.964 11.717 -12.967 1.00 0.00 H new ATOM 0 HD23 LEU A 407 -17.650 10.155 -13.759 1.00 0.00 H new ATOM 613 N LEU A 408 -14.788 9.111 -13.923 1.00 0.00 N ATOM 614 CA LEU A 408 -14.752 8.847 -15.354 1.00 0.00 C ATOM 615 C LEU A 408 -14.163 7.464 -15.647 1.00 0.00 C ATOM 616 O LEU A 408 -14.697 6.721 -16.468 1.00 0.00 O ATOM 617 CB LEU A 408 -13.933 9.958 -16.033 1.00 0.00 C ATOM 618 CG LEU A 408 -13.766 9.802 -17.553 1.00 0.00 C ATOM 619 CD1 LEU A 408 -15.111 9.846 -18.287 1.00 0.00 C ATOM 620 CD2 LEU A 408 -12.870 10.935 -18.068 1.00 0.00 C ATOM 0 H LEU A 408 -14.081 9.776 -13.611 1.00 0.00 H new ATOM 0 HA LEU A 408 -15.767 8.846 -15.752 1.00 0.00 H new ATOM 0 HB2 LEU A 408 -14.411 10.917 -15.831 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -12.944 9.992 -15.575 1.00 0.00 H new ATOM 0 HG LEU A 408 -13.316 8.829 -17.748 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -14.945 9.732 -19.358 1.00 0.00 H new ATOM 0 HD12 LEU A 408 -15.747 9.036 -17.930 1.00 0.00 H new ATOM 0 HD13 LEU A 408 -15.599 10.802 -18.095 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -12.743 10.837 -19.146 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -13.333 11.896 -17.843 1.00 0.00 H new ATOM 0 HD23 LEU A 408 -11.896 10.879 -17.581 1.00 0.00 H new ATOM 632 N HIS A 409 -13.047 7.135 -14.991 1.00 0.00 N ATOM 633 CA HIS A 409 -12.318 5.889 -15.173 1.00 0.00 C ATOM 634 C HIS A 409 -13.085 4.679 -14.638 1.00 0.00 C ATOM 635 O HIS A 409 -13.249 3.696 -15.357 1.00 0.00 O ATOM 636 CB HIS A 409 -10.932 6.016 -14.525 1.00 0.00 C ATOM 637 CG HIS A 409 -10.103 7.161 -15.065 1.00 0.00 C ATOM 638 ND1 HIS A 409 -8.983 7.644 -14.404 1.00 0.00 N ATOM 639 CD2 HIS A 409 -10.209 7.939 -16.195 1.00 0.00 C ATOM 640 CE1 HIS A 409 -8.483 8.651 -15.137 1.00 0.00 C ATOM 641 NE2 HIS A 409 -9.187 8.883 -16.245 1.00 0.00 N ATOM 0 H HIS A 409 -12.618 7.750 -14.300 1.00 0.00 H new ATOM 0 HA HIS A 409 -12.199 5.713 -16.242 1.00 0.00 H new ATOM 0 HB2 HIS A 409 -11.055 6.146 -13.450 1.00 0.00 H new ATOM 0 HB3 HIS A 409 -10.386 5.084 -14.673 1.00 0.00 H new ATOM 0 HD1 HIS A 409 -8.608 7.297 -13.521 1.00 0.00 H new ATOM 0 HD2 HIS A 409 -10.981 7.832 -16.942 1.00 0.00 H new ATOM 0 HE1 HIS A 409 -7.604 9.213 -14.859 1.00 0.00 H new ATOM 649 N TYR A 410 -13.543 4.737 -13.381 1.00 0.00 N ATOM 650 CA TYR A 410 -14.281 3.654 -12.744 1.00 0.00 C ATOM 651 C TYR A 410 -15.785 3.885 -12.839 1.00 0.00 C ATOM 652 O TYR A 410 -16.248 5.019 -12.890 1.00 0.00 O ATOM 653 CB TYR A 410 -13.854 3.509 -11.280 1.00 0.00 C ATOM 654 CG TYR A 410 -12.646 2.616 -11.103 1.00 0.00 C ATOM 655 CD1 TYR A 410 -11.353 3.141 -11.271 1.00 0.00 C ATOM 656 CD2 TYR A 410 -12.813 1.257 -10.778 1.00 0.00 C ATOM 657 CE1 TYR A 410 -10.230 2.309 -11.119 1.00 0.00 C ATOM 658 CE2 TYR A 410 -11.692 0.425 -10.625 1.00 0.00 C ATOM 659 CZ TYR A 410 -10.400 0.952 -10.798 1.00 0.00 C ATOM 660 OH TYR A 410 -9.313 0.141 -10.656 1.00 0.00 O ATOM 0 H TYR A 410 -13.407 5.548 -12.777 1.00 0.00 H new ATOM 0 HA TYR A 410 -14.048 2.729 -13.271 1.00 0.00 H new ATOM 0 HB2 TYR A 410 -13.633 4.495 -10.872 1.00 0.00 H new ATOM 0 HB3 TYR A 410 -14.686 3.105 -10.703 1.00 0.00 H new ATOM 0 HD1 TYR A 410 -11.222 4.184 -11.517 1.00 0.00 H new ATOM 0 HD2 TYR A 410 -13.806 0.853 -10.646 1.00 0.00 H new ATOM 0 HE1 TYR A 410 -9.237 2.713 -11.249 1.00 0.00 H new ATOM 0 HE2 TYR A 410 -11.822 -0.618 -10.375 1.00 0.00 H new ATOM 0 HH TYR A 410 -9.609 -0.766 -10.433 1.00 0.00 H new ATOM 670 N LYS A 411 -16.548 2.788 -12.855 1.00 0.00 N ATOM 671 CA LYS A 411 -17.999 2.821 -12.922 1.00 0.00 C ATOM 672 C LYS A 411 -18.553 3.125 -11.530 1.00 0.00 C ATOM 673 O LYS A 411 -17.973 2.699 -10.532 1.00 0.00 O ATOM 674 CB LYS A 411 -18.524 1.470 -13.428 1.00 0.00 C ATOM 675 CG LYS A 411 -17.977 1.127 -14.820 1.00 0.00 C ATOM 676 CD LYS A 411 -18.572 -0.205 -15.298 1.00 0.00 C ATOM 677 CE LYS A 411 -17.933 -0.697 -16.603 1.00 0.00 C ATOM 678 NZ LYS A 411 -18.163 0.232 -17.727 1.00 0.00 N ATOM 0 H LYS A 411 -16.164 1.844 -12.821 1.00 0.00 H new ATOM 0 HA LYS A 411 -18.324 3.598 -13.614 1.00 0.00 H new ATOM 0 HB2 LYS A 411 -18.244 0.686 -12.725 1.00 0.00 H new ATOM 0 HB3 LYS A 411 -19.613 1.494 -13.462 1.00 0.00 H new ATOM 0 HG2 LYS A 411 -18.226 1.921 -15.524 1.00 0.00 H new ATOM 0 HG3 LYS A 411 -16.890 1.059 -14.787 1.00 0.00 H new ATOM 0 HD2 LYS A 411 -18.436 -0.959 -14.523 1.00 0.00 H new ATOM 0 HD3 LYS A 411 -19.646 -0.088 -15.444 1.00 0.00 H new ATOM 0 HE2 LYS A 411 -16.861 -0.824 -16.454 1.00 0.00 H new ATOM 0 HE3 LYS A 411 -18.338 -1.677 -16.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 -17.727 -0.152 -18.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 -19.185 0.348 -17.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 -17.739 1.156 -17.506 1.00 0.00 H new ATOM 692 N PHE A 412 -19.673 3.854 -11.470 1.00 0.00 N ATOM 693 CA PHE A 412 -20.344 4.226 -10.233 1.00 0.00 C ATOM 694 C PHE A 412 -21.842 4.334 -10.498 1.00 0.00 C ATOM 695 O PHE A 412 -22.256 4.914 -11.502 1.00 0.00 O ATOM 696 CB PHE A 412 -19.807 5.560 -9.711 1.00 0.00 C ATOM 697 CG PHE A 412 -18.445 5.475 -9.056 1.00 0.00 C ATOM 698 CD1 PHE A 412 -18.336 5.058 -7.716 1.00 0.00 C ATOM 699 CD2 PHE A 412 -17.289 5.808 -9.783 1.00 0.00 C ATOM 700 CE1 PHE A 412 -17.073 4.977 -7.105 1.00 0.00 C ATOM 701 CE2 PHE A 412 -16.026 5.726 -9.171 1.00 0.00 C ATOM 702 CZ PHE A 412 -15.918 5.313 -7.833 1.00 0.00 C ATOM 0 H PHE A 412 -20.144 4.207 -12.303 1.00 0.00 H new ATOM 0 HA PHE A 412 -20.155 3.464 -9.477 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -19.754 6.265 -10.540 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -20.518 5.967 -8.991 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -19.223 4.800 -7.157 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -17.371 6.127 -10.812 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -16.990 4.657 -6.077 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -15.138 5.981 -9.730 1.00 0.00 H new ATOM 0 HZ PHE A 412 -14.947 5.253 -7.363 1.00 0.00 H new ATOM 712 N ASN A 413 -22.654 3.776 -9.596 1.00 0.00 N ATOM 713 CA ASN A 413 -24.105 3.773 -9.689 1.00 0.00 C ATOM 714 C ASN A 413 -24.679 5.141 -9.309 1.00 0.00 C ATOM 715 O ASN A 413 -25.275 5.289 -8.244 1.00 0.00 O ATOM 716 CB ASN A 413 -24.652 2.640 -8.806 1.00 0.00 C ATOM 717 CG ASN A 413 -26.169 2.479 -8.905 1.00 0.00 C ATOM 718 OD1 ASN A 413 -26.820 3.070 -9.762 1.00 0.00 O ATOM 719 ND2 ASN A 413 -26.744 1.662 -8.022 1.00 0.00 N ATOM 0 H ASN A 413 -22.305 3.303 -8.762 1.00 0.00 H new ATOM 0 HA ASN A 413 -24.415 3.589 -10.718 1.00 0.00 H new ATOM 0 HB2 ASN A 413 -24.174 1.703 -9.091 1.00 0.00 H new ATOM 0 HB3 ASN A 413 -24.380 2.833 -7.768 1.00 0.00 H new ATOM 0 HD21 ASN A 413 -27.753 1.513 -8.046 1.00 0.00 H new ATOM 0 HD22 ASN A 413 -26.175 1.186 -7.322 1.00 0.00 H new ATOM 726 N ASN A 414 -24.503 6.130 -10.195 1.00 0.00 N ATOM 727 CA ASN A 414 -24.986 7.503 -10.054 1.00 0.00 C ATOM 728 C ASN A 414 -24.369 8.210 -8.842 1.00 0.00 C ATOM 729 O ASN A 414 -24.929 8.181 -7.745 1.00 0.00 O ATOM 730 CB ASN A 414 -26.523 7.538 -10.029 1.00 0.00 C ATOM 731 CG ASN A 414 -27.079 8.962 -10.006 1.00 0.00 C ATOM 732 OD1 ASN A 414 -26.357 9.931 -10.227 1.00 0.00 O ATOM 733 ND2 ASN A 414 -28.378 9.097 -9.741 1.00 0.00 N ATOM 0 H ASN A 414 -23.996 5.984 -11.068 1.00 0.00 H new ATOM 0 HA ASN A 414 -24.657 8.063 -10.929 1.00 0.00 H new ATOM 0 HB2 ASN A 414 -26.909 7.016 -10.904 1.00 0.00 H new ATOM 0 HB3 ASN A 414 -26.881 6.998 -9.152 1.00 0.00 H new ATOM 0 HD21 ASN A 414 -28.800 10.025 -9.717 1.00 0.00 H new ATOM 0 HD22 ASN A 414 -28.950 8.272 -9.562 1.00 0.00 H new ATOM 740 N ARG A 415 -23.214 8.852 -9.053 1.00 0.00 N ATOM 741 CA ARG A 415 -22.477 9.591 -8.035 1.00 0.00 C ATOM 742 C ARG A 415 -21.988 10.921 -8.606 1.00 0.00 C ATOM 743 O ARG A 415 -22.226 11.232 -9.772 1.00 0.00 O ATOM 744 CB ARG A 415 -21.289 8.757 -7.527 1.00 0.00 C ATOM 745 CG ARG A 415 -21.685 7.385 -6.976 1.00 0.00 C ATOM 746 CD ARG A 415 -22.493 7.464 -5.679 1.00 0.00 C ATOM 747 NE ARG A 415 -22.977 6.121 -5.346 1.00 0.00 N ATOM 748 CZ ARG A 415 -24.242 5.669 -5.376 1.00 0.00 C ATOM 749 NH1 ARG A 415 -25.284 6.481 -5.596 1.00 0.00 N ATOM 750 NH2 ARG A 415 -24.439 4.358 -5.214 1.00 0.00 N ATOM 0 H ARG A 415 -22.758 8.869 -9.965 1.00 0.00 H new ATOM 0 HA ARG A 415 -23.142 9.793 -7.195 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -20.579 8.619 -8.343 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -20.773 9.316 -6.747 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -22.269 6.854 -7.728 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -20.784 6.798 -6.799 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -21.874 7.854 -4.871 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -23.332 8.150 -5.797 1.00 0.00 H new ATOM 0 HE ARG A 415 -22.267 5.448 -5.056 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -25.131 7.478 -5.748 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -26.231 6.103 -5.612 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -23.643 3.736 -5.073 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -25.386 3.979 -5.231 1.00 0.00 H new ATOM 764 N THR A 416 -21.302 11.699 -7.765 1.00 0.00 N ATOM 765 CA THR A 416 -20.743 13.001 -8.079 1.00 0.00 C ATOM 766 C THR A 416 -19.392 13.138 -7.378 1.00 0.00 C ATOM 767 O THR A 416 -19.049 12.339 -6.505 1.00 0.00 O ATOM 768 CB THR A 416 -21.680 14.102 -7.556 1.00 0.00 C ATOM 769 OG1 THR A 416 -21.728 14.039 -6.142 1.00 0.00 O ATOM 770 CG2 THR A 416 -23.097 13.990 -8.127 1.00 0.00 C ATOM 0 H THR A 416 -21.117 11.418 -6.802 1.00 0.00 H new ATOM 0 HA THR A 416 -20.625 13.098 -9.158 1.00 0.00 H new ATOM 0 HB THR A 416 -21.278 15.061 -7.884 1.00 0.00 H new ATOM 0 HG1 THR A 416 -22.555 13.593 -5.862 1.00 0.00 H new ATOM 0 HG21 THR A 416 -23.716 14.792 -7.724 1.00 0.00 H new ATOM 0 HG22 THR A 416 -23.059 14.071 -9.213 1.00 0.00 H new ATOM 0 HG23 THR A 416 -23.526 13.027 -7.850 1.00 0.00 H new ATOM 778 N SER A 417 -18.646 14.185 -7.741 1.00 0.00 N ATOM 779 CA SER A 417 -17.367 14.503 -7.131 1.00 0.00 C ATOM 780 C SER A 417 -17.559 14.675 -5.621 1.00 0.00 C ATOM 781 O SER A 417 -16.729 14.224 -4.836 1.00 0.00 O ATOM 782 CB SER A 417 -16.813 15.779 -7.773 1.00 0.00 C ATOM 783 OG SER A 417 -17.817 16.775 -7.809 1.00 0.00 O ATOM 0 H SER A 417 -18.922 14.838 -8.475 1.00 0.00 H new ATOM 0 HA SER A 417 -16.652 13.697 -7.294 1.00 0.00 H new ATOM 0 HB2 SER A 417 -15.953 16.137 -7.207 1.00 0.00 H new ATOM 0 HB3 SER A 417 -16.463 15.566 -8.783 1.00 0.00 H new ATOM 0 HG SER A 417 -17.456 17.589 -8.219 1.00 0.00 H new ATOM 789 N VAL A 418 -18.668 15.316 -5.231 1.00 0.00 N ATOM 790 CA VAL A 418 -19.040 15.556 -3.847 1.00 0.00 C ATOM 791 C VAL A 418 -19.200 14.225 -3.111 1.00 0.00 C ATOM 792 O VAL A 418 -18.587 14.037 -2.064 1.00 0.00 O ATOM 793 CB VAL A 418 -20.317 16.415 -3.776 1.00 0.00 C ATOM 794 CG1 VAL A 418 -20.735 16.652 -2.318 1.00 0.00 C ATOM 795 CG2 VAL A 418 -20.099 17.775 -4.453 1.00 0.00 C ATOM 0 H VAL A 418 -19.345 15.690 -5.896 1.00 0.00 H new ATOM 0 HA VAL A 418 -18.247 16.115 -3.350 1.00 0.00 H new ATOM 0 HB VAL A 418 -21.104 15.871 -4.297 1.00 0.00 H new ATOM 0 HG11 VAL A 418 -21.639 17.261 -2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 418 -20.929 15.694 -1.835 1.00 0.00 H new ATOM 0 HG13 VAL A 418 -19.934 17.169 -1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 418 -21.014 18.364 -4.390 1.00 0.00 H new ATOM 0 HG22 VAL A 418 -19.291 18.306 -3.950 1.00 0.00 H new ATOM 0 HG23 VAL A 418 -19.837 17.622 -5.500 1.00 0.00 H new ATOM 805 N MET A 419 -20.012 13.305 -3.647 1.00 0.00 N ATOM 806 CA MET A 419 -20.231 12.004 -3.021 1.00 0.00 C ATOM 807 C MET A 419 -18.907 11.266 -2.814 1.00 0.00 C ATOM 808 O MET A 419 -18.624 10.814 -1.708 1.00 0.00 O ATOM 809 CB MET A 419 -21.213 11.162 -3.847 1.00 0.00 C ATOM 810 CG MET A 419 -22.667 11.413 -3.436 1.00 0.00 C ATOM 811 SD MET A 419 -23.246 13.129 -3.506 1.00 0.00 S ATOM 812 CE MET A 419 -24.929 12.906 -2.884 1.00 0.00 C ATOM 0 H MET A 419 -20.528 13.443 -4.516 1.00 0.00 H new ATOM 0 HA MET A 419 -20.674 12.169 -2.039 1.00 0.00 H new ATOM 0 HB2 MET A 419 -21.090 11.394 -4.905 1.00 0.00 H new ATOM 0 HB3 MET A 419 -20.978 10.105 -3.723 1.00 0.00 H new ATOM 0 HG2 MET A 419 -23.311 10.810 -4.076 1.00 0.00 H new ATOM 0 HG3 MET A 419 -22.800 11.050 -2.417 1.00 0.00 H new ATOM 0 HE1 MET A 419 -25.438 13.869 -2.859 1.00 0.00 H new ATOM 0 HE2 MET A 419 -25.472 12.225 -3.540 1.00 0.00 H new ATOM 0 HE3 MET A 419 -24.893 12.489 -1.878 1.00 0.00 H new ATOM 822 N LEU A 420 -18.096 11.150 -3.872 1.00 0.00 N ATOM 823 CA LEU A 420 -16.803 10.475 -3.796 1.00 0.00 C ATOM 824 C LEU A 420 -15.909 11.133 -2.738 1.00 0.00 C ATOM 825 O LEU A 420 -15.330 10.441 -1.900 1.00 0.00 O ATOM 826 CB LEU A 420 -16.119 10.458 -5.171 1.00 0.00 C ATOM 827 CG LEU A 420 -16.528 9.245 -6.023 1.00 0.00 C ATOM 828 CD1 LEU A 420 -17.975 9.287 -6.518 1.00 0.00 C ATOM 829 CD2 LEU A 420 -15.593 9.123 -7.227 1.00 0.00 C ATOM 0 H LEU A 420 -18.318 11.519 -4.796 1.00 0.00 H new ATOM 0 HA LEU A 420 -16.971 9.441 -3.494 1.00 0.00 H new ATOM 0 HB2 LEU A 420 -16.368 11.374 -5.707 1.00 0.00 H new ATOM 0 HB3 LEU A 420 -15.038 10.453 -5.034 1.00 0.00 H new ATOM 0 HG LEU A 420 -16.447 8.378 -5.367 1.00 0.00 H new ATOM 0 HD11 LEU A 420 -18.183 8.396 -7.111 1.00 0.00 H new ATOM 0 HD12 LEU A 420 -18.651 9.320 -5.664 1.00 0.00 H new ATOM 0 HD13 LEU A 420 -18.124 10.175 -7.133 1.00 0.00 H new ATOM 0 HD21 LEU A 420 -15.885 8.263 -7.829 1.00 0.00 H new ATOM 0 HD22 LEU A 420 -15.658 10.028 -7.831 1.00 0.00 H new ATOM 0 HD23 LEU A 420 -14.568 8.992 -6.880 1.00 0.00 H new ATOM 841 N LYS A 421 -15.809 12.467 -2.775 1.00 0.00 N ATOM 842 CA LYS A 421 -15.020 13.252 -1.837 1.00 0.00 C ATOM 843 C LYS A 421 -15.422 12.935 -0.402 1.00 0.00 C ATOM 844 O LYS A 421 -14.595 12.496 0.392 1.00 0.00 O ATOM 845 CB LYS A 421 -15.200 14.752 -2.135 1.00 0.00 C ATOM 846 CG LYS A 421 -14.504 15.645 -1.097 1.00 0.00 C ATOM 847 CD LYS A 421 -14.522 17.130 -1.491 1.00 0.00 C ATOM 848 CE LYS A 421 -15.926 17.723 -1.691 1.00 0.00 C ATOM 849 NZ LYS A 421 -16.780 17.623 -0.489 1.00 0.00 N ATOM 0 H LYS A 421 -16.286 13.036 -3.474 1.00 0.00 H new ATOM 0 HA LYS A 421 -13.968 12.993 -1.955 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -14.802 14.973 -3.125 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -16.264 14.989 -2.159 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -14.994 15.523 -0.131 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -13.472 15.317 -0.975 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -14.007 17.703 -0.720 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -13.955 17.254 -2.413 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -15.833 18.771 -1.976 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -16.415 17.210 -2.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -17.666 18.143 -0.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -16.995 16.624 -0.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -16.281 18.032 0.327 1.00 0.00 H new ATOM 863 N ASP A 422 -16.689 13.186 -0.073 1.00 0.00 N ATOM 864 CA ASP A 422 -17.246 12.994 1.255 1.00 0.00 C ATOM 865 C ASP A 422 -17.044 11.559 1.734 1.00 0.00 C ATOM 866 O ASP A 422 -16.611 11.348 2.866 1.00 0.00 O ATOM 867 CB ASP A 422 -18.723 13.413 1.260 1.00 0.00 C ATOM 868 CG ASP A 422 -18.926 14.888 0.912 1.00 0.00 C ATOM 869 OD1 ASP A 422 -17.913 15.618 0.813 1.00 0.00 O ATOM 870 OD2 ASP A 422 -20.102 15.271 0.737 1.00 0.00 O ATOM 0 H ASP A 422 -17.370 13.538 -0.745 1.00 0.00 H new ATOM 0 HA ASP A 422 -16.716 13.630 1.964 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -19.272 12.798 0.547 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -19.148 13.216 2.244 1.00 0.00 H new ATOM 875 N ARG A 423 -17.337 10.575 0.874 1.00 0.00 N ATOM 876 CA ARG A 423 -17.170 9.165 1.192 1.00 0.00 C ATOM 877 C ARG A 423 -15.725 8.900 1.622 1.00 0.00 C ATOM 878 O ARG A 423 -15.487 8.341 2.693 1.00 0.00 O ATOM 879 CB ARG A 423 -17.563 8.312 -0.026 1.00 0.00 C ATOM 880 CG ARG A 423 -17.581 6.801 0.246 1.00 0.00 C ATOM 881 CD ARG A 423 -18.771 6.392 1.121 1.00 0.00 C ATOM 882 NE ARG A 423 -18.928 4.931 1.168 1.00 0.00 N ATOM 883 CZ ARG A 423 -19.913 4.293 1.821 1.00 0.00 C ATOM 884 NH1 ARG A 423 -20.827 4.992 2.506 1.00 0.00 N ATOM 885 NH2 ARG A 423 -19.997 2.959 1.780 1.00 0.00 N ATOM 0 H ARG A 423 -17.698 10.743 -0.065 1.00 0.00 H new ATOM 0 HA ARG A 423 -17.822 8.891 2.021 1.00 0.00 H new ATOM 0 HB2 ARG A 423 -18.551 8.620 -0.368 1.00 0.00 H new ATOM 0 HB3 ARG A 423 -16.866 8.516 -0.839 1.00 0.00 H new ATOM 0 HG2 ARG A 423 -17.624 6.262 -0.701 1.00 0.00 H new ATOM 0 HG3 ARG A 423 -16.652 6.509 0.737 1.00 0.00 H new ATOM 0 HD2 ARG A 423 -18.630 6.777 2.131 1.00 0.00 H new ATOM 0 HD3 ARG A 423 -19.683 6.845 0.732 1.00 0.00 H new ATOM 0 HE ARG A 423 -18.242 4.363 0.671 1.00 0.00 H new ATOM 0 HH11 ARG A 423 -20.776 6.010 2.532 1.00 0.00 H new ATOM 0 HH12 ARG A 423 -21.575 4.506 3.001 1.00 0.00 H new ATOM 0 HH21 ARG A 423 -19.311 2.421 1.251 1.00 0.00 H new ATOM 0 HH22 ARG A 423 -20.747 2.480 2.278 1.00 0.00 H new ATOM 899 N TRP A 424 -14.757 9.310 0.793 1.00 0.00 N ATOM 900 CA TRP A 424 -13.351 9.110 1.084 1.00 0.00 C ATOM 901 C TRP A 424 -12.919 9.836 2.360 1.00 0.00 C ATOM 902 O TRP A 424 -12.206 9.259 3.175 1.00 0.00 O ATOM 903 CB TRP A 424 -12.497 9.536 -0.108 1.00 0.00 C ATOM 904 CG TRP A 424 -11.059 9.163 0.048 1.00 0.00 C ATOM 905 CD1 TRP A 424 -10.050 10.020 0.298 1.00 0.00 C ATOM 906 CD2 TRP A 424 -10.451 7.842 -0.024 1.00 0.00 C ATOM 907 NE1 TRP A 424 -8.857 9.333 0.386 1.00 0.00 N ATOM 908 CE2 TRP A 424 -9.050 7.978 0.199 1.00 0.00 C ATOM 909 CE3 TRP A 424 -10.946 6.540 -0.253 1.00 0.00 C ATOM 910 CZ2 TRP A 424 -8.184 6.873 0.196 1.00 0.00 C ATOM 911 CZ3 TRP A 424 -10.085 5.427 -0.263 1.00 0.00 C ATOM 912 CH2 TRP A 424 -8.707 5.593 -0.041 1.00 0.00 C ATOM 0 H TRP A 424 -14.935 9.786 -0.091 1.00 0.00 H new ATOM 0 HA TRP A 424 -13.198 8.045 1.260 1.00 0.00 H new ATOM 0 HB2 TRP A 424 -12.891 9.076 -1.014 1.00 0.00 H new ATOM 0 HB3 TRP A 424 -12.576 10.615 -0.238 1.00 0.00 H new ATOM 0 HD1 TRP A 424 -10.159 11.088 0.413 1.00 0.00 H new ATOM 0 HE1 TRP A 424 -7.952 9.768 0.565 1.00 0.00 H new ATOM 0 HE3 TRP A 424 -12.003 6.396 -0.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 424 -7.127 7.007 0.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 424 -10.485 4.440 -0.442 1.00 0.00 H new ATOM 0 HH2 TRP A 424 -8.051 4.735 -0.053 1.00 0.00 H new ATOM 923 N ARG A 425 -13.342 11.093 2.539 1.00 0.00 N ATOM 924 CA ARG A 425 -13.010 11.888 3.716 1.00 0.00 C ATOM 925 C ARG A 425 -13.500 11.190 4.986 1.00 0.00 C ATOM 926 O ARG A 425 -12.757 11.098 5.964 1.00 0.00 O ATOM 927 CB ARG A 425 -13.625 13.291 3.608 1.00 0.00 C ATOM 928 CG ARG A 425 -12.976 14.193 2.545 1.00 0.00 C ATOM 929 CD ARG A 425 -11.698 14.892 3.029 1.00 0.00 C ATOM 930 NE ARG A 425 -10.546 13.980 3.105 1.00 0.00 N ATOM 931 CZ ARG A 425 -9.793 13.593 2.061 1.00 0.00 C ATOM 932 NH1 ARG A 425 -10.071 14.002 0.819 1.00 0.00 N ATOM 933 NH2 ARG A 425 -8.742 12.789 2.252 1.00 0.00 N ATOM 0 H ARG A 425 -13.927 11.586 1.864 1.00 0.00 H new ATOM 0 HA ARG A 425 -11.926 11.988 3.770 1.00 0.00 H new ATOM 0 HB2 ARG A 425 -14.687 13.192 3.383 1.00 0.00 H new ATOM 0 HB3 ARG A 425 -13.550 13.782 4.578 1.00 0.00 H new ATOM 0 HG2 ARG A 425 -12.741 13.593 1.666 1.00 0.00 H new ATOM 0 HG3 ARG A 425 -13.697 14.948 2.232 1.00 0.00 H new ATOM 0 HD2 ARG A 425 -11.461 15.715 2.354 1.00 0.00 H new ATOM 0 HD3 ARG A 425 -11.877 15.327 4.012 1.00 0.00 H new ATOM 0 HE ARG A 425 -10.299 13.612 4.024 1.00 0.00 H new ATOM 0 HH11 ARG A 425 -10.866 14.618 0.651 1.00 0.00 H new ATOM 0 HH12 ARG A 425 -9.488 13.698 0.039 1.00 0.00 H new ATOM 0 HH21 ARG A 425 -8.510 12.468 3.192 1.00 0.00 H new ATOM 0 HH22 ARG A 425 -8.172 12.497 1.458 1.00 0.00 H new ATOM 947 N THR A 426 -14.742 10.695 4.965 1.00 0.00 N ATOM 948 CA THR A 426 -15.343 9.997 6.091 1.00 0.00 C ATOM 949 C THR A 426 -14.482 8.793 6.472 1.00 0.00 C ATOM 950 O THR A 426 -14.154 8.626 7.646 1.00 0.00 O ATOM 951 CB THR A 426 -16.788 9.591 5.761 1.00 0.00 C ATOM 952 OG1 THR A 426 -17.544 10.740 5.440 1.00 0.00 O ATOM 953 CG2 THR A 426 -17.466 8.903 6.952 1.00 0.00 C ATOM 0 H THR A 426 -15.358 10.772 4.156 1.00 0.00 H new ATOM 0 HA THR A 426 -15.385 10.663 6.952 1.00 0.00 H new ATOM 0 HB THR A 426 -16.747 8.899 4.920 1.00 0.00 H new ATOM 0 HG1 THR A 426 -17.299 11.053 4.544 1.00 0.00 H new ATOM 0 HG21 THR A 426 -18.486 8.630 6.682 1.00 0.00 H new ATOM 0 HG22 THR A 426 -16.909 8.005 7.219 1.00 0.00 H new ATOM 0 HG23 THR A 426 -17.486 9.584 7.803 1.00 0.00 H new ATOM 961 N MET A 427 -14.109 7.961 5.490 1.00 0.00 N ATOM 962 CA MET A 427 -13.281 6.789 5.739 1.00 0.00 C ATOM 963 C MET A 427 -11.898 7.196 6.261 1.00 0.00 C ATOM 964 O MET A 427 -11.433 6.652 7.258 1.00 0.00 O ATOM 965 CB MET A 427 -13.180 5.920 4.482 1.00 0.00 C ATOM 966 CG MET A 427 -14.531 5.300 4.104 1.00 0.00 C ATOM 967 SD MET A 427 -14.472 3.999 2.840 1.00 0.00 S ATOM 968 CE MET A 427 -13.734 4.904 1.461 1.00 0.00 C ATOM 0 H MET A 427 -14.373 8.085 4.513 1.00 0.00 H new ATOM 0 HA MET A 427 -13.757 6.190 6.515 1.00 0.00 H new ATOM 0 HB2 MET A 427 -12.813 6.524 3.652 1.00 0.00 H new ATOM 0 HB3 MET A 427 -12.450 5.127 4.647 1.00 0.00 H new ATOM 0 HG2 MET A 427 -14.985 4.886 5.004 1.00 0.00 H new ATOM 0 HG3 MET A 427 -15.189 6.094 3.751 1.00 0.00 H new ATOM 0 HE1 MET A 427 -13.712 4.266 0.577 1.00 0.00 H new ATOM 0 HE2 MET A 427 -14.327 5.794 1.251 1.00 0.00 H new ATOM 0 HE3 MET A 427 -12.717 5.198 1.721 1.00 0.00 H new ATOM 978 N LYS A 428 -11.236 8.157 5.606 1.00 0.00 N ATOM 979 CA LYS A 428 -9.928 8.647 6.022 1.00 0.00 C ATOM 980 C LYS A 428 -9.948 9.036 7.499 1.00 0.00 C ATOM 981 O LYS A 428 -9.038 8.674 8.237 1.00 0.00 O ATOM 982 CB LYS A 428 -9.510 9.852 5.164 1.00 0.00 C ATOM 983 CG LYS A 428 -8.793 9.440 3.868 1.00 0.00 C ATOM 984 CD LYS A 428 -7.313 9.858 3.885 1.00 0.00 C ATOM 985 CE LYS A 428 -6.486 9.105 4.938 1.00 0.00 C ATOM 986 NZ LYS A 428 -5.169 9.738 5.147 1.00 0.00 N ATOM 0 H LYS A 428 -11.599 8.615 4.770 1.00 0.00 H new ATOM 0 HA LYS A 428 -9.201 7.847 5.882 1.00 0.00 H new ATOM 0 HB2 LYS A 428 -10.394 10.438 4.914 1.00 0.00 H new ATOM 0 HB3 LYS A 428 -8.854 10.498 5.748 1.00 0.00 H new ATOM 0 HG2 LYS A 428 -8.866 8.360 3.738 1.00 0.00 H new ATOM 0 HG3 LYS A 428 -9.292 9.898 3.014 1.00 0.00 H new ATOM 0 HD2 LYS A 428 -6.881 9.683 2.900 1.00 0.00 H new ATOM 0 HD3 LYS A 428 -7.246 10.929 4.077 1.00 0.00 H new ATOM 0 HE2 LYS A 428 -7.032 9.080 5.881 1.00 0.00 H new ATOM 0 HE3 LYS A 428 -6.348 8.071 4.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 -4.637 9.204 5.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 -4.639 9.740 4.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 -5.302 10.717 5.472 1.00 0.00 H new ATOM 1000 N LYS A 429 -10.980 9.768 7.928 1.00 0.00 N ATOM 1001 CA LYS A 429 -11.102 10.189 9.312 1.00 0.00 C ATOM 1002 C LYS A 429 -11.551 9.029 10.207 1.00 0.00 C ATOM 1003 O LYS A 429 -10.766 8.517 11.002 1.00 0.00 O ATOM 1004 CB LYS A 429 -12.053 11.389 9.409 1.00 0.00 C ATOM 1005 CG LYS A 429 -11.412 12.641 8.798 1.00 0.00 C ATOM 1006 CD LYS A 429 -12.370 13.834 8.906 1.00 0.00 C ATOM 1007 CE LYS A 429 -11.742 15.132 8.379 1.00 0.00 C ATOM 1008 NZ LYS A 429 -10.615 15.590 9.216 1.00 0.00 N ATOM 0 H LYS A 429 -11.743 10.079 7.327 1.00 0.00 H new ATOM 0 HA LYS A 429 -10.123 10.502 9.674 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -12.985 11.163 8.892 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -12.305 11.576 10.453 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -10.478 12.868 9.312 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -11.164 12.458 7.752 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -13.280 13.619 8.346 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -12.662 13.970 9.947 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -11.393 14.976 7.358 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -12.503 15.911 8.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -10.300 16.527 8.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -10.922 15.651 10.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -9.828 14.915 9.138 1.00 0.00 H new