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 393 SER OG : rot -118:sc= 2.13 USER MOD Set 1.2: A 397 LYS NZ :NH3+ 177:sc= 1.08 (180deg=-0.0339) USER MOD Set 1.3: A 410 TYR OH : rot 110:sc= 1.07 USER MOD Set 2.1: A 402 ASN : amide:sc= 1.63 K(o=2.8,f=-6.4!) USER MOD Set 2.2: A 405 LYS NZ :NH3+ 171:sc= 1.2 (180deg=0) USER MOD Single : A 389 LYS NZ :NH3+ -116:sc= -0.394 (180deg=-1.75) USER MOD Single : A 390 ASN : amide:sc= 0.46 K(o=0.46,f=-1.1) USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 404 SER OG : rot 180:sc= 0.0015 USER MOD Single : A 409 HIS : no HD1:sc= -0.772 K(o=-0.77,f=-0.041) USER MOD Single : A 411 LYS NZ :NH3+ -157:sc= 1.3 (180deg=1.2) USER MOD Single : A 413 ASN : amide:sc= 0.874 K(o=0.87,f=-0.00075) USER MOD Single : A 414 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 416 THR OG1 : rot 180:sc= 0.34 USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 419 MET CE :methyl -172:sc= 0 (180deg=-0.109) USER MOD Single : A 421 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 THR OG1 : rot 80:sc= 0.965 USER MOD Single : A 427 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 428 LYS NZ :NH3+ -167:sc= 1.25 (180deg=0.368) USER MOD Single : A 429 LYS NZ :NH3+ 179:sc= 0.854 (180deg=0.852) USER MOD ----------------------------------------------------------------- ATOM 186 N TRP A 383 -24.408 2.831 -0.883 1.00 0.00 N ATOM 187 CA TRP A 383 -23.093 2.463 -1.389 1.00 0.00 C ATOM 188 C TRP A 383 -22.913 0.947 -1.431 1.00 0.00 C ATOM 189 O TRP A 383 -23.163 0.259 -0.443 1.00 0.00 O ATOM 190 CB TRP A 383 -21.986 3.153 -0.589 1.00 0.00 C ATOM 191 CG TRP A 383 -21.645 4.519 -1.100 1.00 0.00 C ATOM 192 CD1 TRP A 383 -22.358 5.649 -0.900 1.00 0.00 C ATOM 193 CD2 TRP A 383 -20.501 4.907 -1.914 1.00 0.00 C ATOM 194 NE1 TRP A 383 -21.739 6.712 -1.529 1.00 0.00 N ATOM 195 CE2 TRP A 383 -20.585 6.307 -2.172 1.00 0.00 C ATOM 196 CE3 TRP A 383 -19.400 4.216 -2.460 1.00 0.00 C ATOM 197 CZ2 TRP A 383 -19.622 6.986 -2.935 1.00 0.00 C ATOM 198 CZ3 TRP A 383 -18.430 4.885 -3.224 1.00 0.00 C ATOM 199 CH2 TRP A 383 -18.542 6.264 -3.462 1.00 0.00 C ATOM 0 HA TRP A 383 -23.018 2.816 -2.418 1.00 0.00 H new ATOM 0 HB2 TRP A 383 -22.295 3.230 0.453 1.00 0.00 H new ATOM 0 HB3 TRP A 383 -21.091 2.531 -0.611 1.00 0.00 H new ATOM 0 HD1 TRP A 383 -23.275 5.712 -0.333 1.00 0.00 H new ATOM 0 HE1 TRP A 383 -22.088 7.670 -1.520 1.00 0.00 H new ATOM 0 HE3 TRP A 383 -19.301 3.154 -2.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 383 -19.712 8.047 -3.113 1.00 0.00 H new ATOM 0 HZ3 TRP A 383 -17.594 4.336 -3.631 1.00 0.00 H new ATOM 0 HH2 TRP A 383 -17.793 6.771 -4.053 1.00 0.00 H new ATOM 210 N LEU A 384 -22.481 0.442 -2.590 1.00 0.00 N ATOM 211 CA LEU A 384 -22.253 -0.972 -2.831 1.00 0.00 C ATOM 212 C LEU A 384 -20.767 -1.303 -2.675 1.00 0.00 C ATOM 213 O LEU A 384 -19.906 -0.438 -2.826 1.00 0.00 O ATOM 214 CB LEU A 384 -22.701 -1.320 -4.261 1.00 0.00 C ATOM 215 CG LEU A 384 -24.138 -0.897 -4.609 1.00 0.00 C ATOM 216 CD1 LEU A 384 -24.354 -1.061 -6.116 1.00 0.00 C ATOM 217 CD2 LEU A 384 -25.181 -1.722 -3.845 1.00 0.00 C ATOM 0 H LEU A 384 -22.277 1.025 -3.402 1.00 0.00 H new ATOM 0 HA LEU A 384 -22.825 -1.553 -2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 384 -22.017 -0.847 -4.966 1.00 0.00 H new ATOM 0 HB3 LEU A 384 -22.610 -2.397 -4.403 1.00 0.00 H new ATOM 0 HG LEU A 384 -24.266 0.145 -4.315 1.00 0.00 H new ATOM 0 HD11 LEU A 384 -25.371 -0.763 -6.372 1.00 0.00 H new ATOM 0 HD12 LEU A 384 -23.645 -0.433 -6.656 1.00 0.00 H new ATOM 0 HD13 LEU A 384 -24.200 -2.104 -6.394 1.00 0.00 H new ATOM 0 HD21 LEU A 384 -26.182 -1.389 -4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 384 -25.067 -2.776 -4.097 1.00 0.00 H new ATOM 0 HD23 LEU A 384 -25.037 -1.587 -2.773 1.00 0.00 H new ATOM 229 N TRP A 385 -20.472 -2.580 -2.409 1.00 0.00 N ATOM 230 CA TRP A 385 -19.113 -3.104 -2.281 1.00 0.00 C ATOM 231 C TRP A 385 -18.309 -2.838 -3.559 1.00 0.00 C ATOM 232 O TRP A 385 -17.094 -2.639 -3.517 1.00 0.00 O ATOM 233 CB TRP A 385 -19.179 -4.611 -1.983 1.00 0.00 C ATOM 234 CG TRP A 385 -20.180 -5.406 -2.779 1.00 0.00 C ATOM 235 CD1 TRP A 385 -21.411 -5.750 -2.339 1.00 0.00 C ATOM 236 CD2 TRP A 385 -20.079 -5.962 -4.129 1.00 0.00 C ATOM 237 NE1 TRP A 385 -22.080 -6.470 -3.305 1.00 0.00 N ATOM 238 CE2 TRP A 385 -21.303 -6.629 -4.434 1.00 0.00 C ATOM 239 CE3 TRP A 385 -19.085 -5.973 -5.131 1.00 0.00 C ATOM 240 CZ2 TRP A 385 -21.528 -7.268 -5.662 1.00 0.00 C ATOM 241 CZ3 TRP A 385 -19.299 -6.610 -6.369 1.00 0.00 C ATOM 242 CH2 TRP A 385 -20.517 -7.256 -6.637 1.00 0.00 C ATOM 0 H TRP A 385 -21.190 -3.292 -2.274 1.00 0.00 H new ATOM 0 HA TRP A 385 -18.607 -2.598 -1.459 1.00 0.00 H new ATOM 0 HB2 TRP A 385 -18.190 -5.037 -2.154 1.00 0.00 H new ATOM 0 HB3 TRP A 385 -19.403 -4.741 -0.924 1.00 0.00 H new ATOM 0 HD1 TRP A 385 -21.813 -5.497 -1.369 1.00 0.00 H new ATOM 0 HE1 TRP A 385 -23.026 -6.837 -3.199 1.00 0.00 H new ATOM 0 HE3 TRP A 385 -18.141 -5.483 -4.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 -22.468 -7.764 -5.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 -18.521 -6.602 -7.118 1.00 0.00 H new ATOM 0 HH2 TRP A 385 -20.676 -7.741 -7.589 1.00 0.00 H new ATOM 253 N GLU A 386 -19.003 -2.847 -4.702 1.00 0.00 N ATOM 254 CA GLU A 386 -18.444 -2.612 -6.022 1.00 0.00 C ATOM 255 C GLU A 386 -17.894 -1.182 -6.084 1.00 0.00 C ATOM 256 O GLU A 386 -16.752 -0.960 -6.477 1.00 0.00 O ATOM 257 CB GLU A 386 -19.562 -2.875 -7.049 1.00 0.00 C ATOM 258 CG GLU A 386 -19.064 -3.079 -8.488 1.00 0.00 C ATOM 259 CD GLU A 386 -20.193 -3.501 -9.432 1.00 0.00 C ATOM 260 OE1 GLU A 386 -21.116 -4.195 -8.953 1.00 0.00 O ATOM 261 OE2 GLU A 386 -20.119 -3.129 -10.624 1.00 0.00 O ATOM 0 H GLU A 386 -20.007 -3.026 -4.725 1.00 0.00 H new ATOM 0 HA GLU A 386 -17.610 -3.278 -6.246 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -20.121 -3.759 -6.742 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -20.258 -2.036 -7.033 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -18.615 -2.154 -8.851 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -18.282 -3.838 -8.497 1.00 0.00 H new ATOM 268 N GLU A 387 -18.726 -0.221 -5.675 1.00 0.00 N ATOM 269 CA GLU A 387 -18.424 1.199 -5.650 1.00 0.00 C ATOM 270 C GLU A 387 -17.318 1.520 -4.647 1.00 0.00 C ATOM 271 O GLU A 387 -16.362 2.211 -4.988 1.00 0.00 O ATOM 272 CB GLU A 387 -19.704 1.961 -5.315 1.00 0.00 C ATOM 273 CG GLU A 387 -20.786 1.681 -6.361 1.00 0.00 C ATOM 274 CD GLU A 387 -22.072 2.388 -5.986 1.00 0.00 C ATOM 275 OE1 GLU A 387 -22.573 2.131 -4.871 1.00 0.00 O ATOM 276 OE2 GLU A 387 -22.543 3.201 -6.809 1.00 0.00 O ATOM 0 H GLU A 387 -19.667 -0.428 -5.339 1.00 0.00 H new ATOM 0 HA GLU A 387 -18.057 1.505 -6.629 1.00 0.00 H new ATOM 0 HB2 GLU A 387 -20.060 1.668 -4.328 1.00 0.00 H new ATOM 0 HB3 GLU A 387 -19.497 3.030 -5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 387 -20.450 2.018 -7.342 1.00 0.00 H new ATOM 0 HG3 GLU A 387 -20.961 0.608 -6.435 1.00 0.00 H new ATOM 283 N ASP A 388 -17.440 1.019 -3.412 1.00 0.00 N ATOM 284 CA ASP A 388 -16.443 1.233 -2.366 1.00 0.00 C ATOM 285 C ASP A 388 -15.070 0.804 -2.890 1.00 0.00 C ATOM 286 O ASP A 388 -14.095 1.547 -2.783 1.00 0.00 O ATOM 287 CB ASP A 388 -16.830 0.449 -1.097 1.00 0.00 C ATOM 288 CG ASP A 388 -17.341 1.325 0.044 1.00 0.00 C ATOM 289 OD1 ASP A 388 -17.923 2.401 -0.218 1.00 0.00 O ATOM 290 OD2 ASP A 388 -17.115 0.920 1.203 1.00 0.00 O ATOM 0 H ASP A 388 -18.235 0.454 -3.113 1.00 0.00 H new ATOM 0 HA ASP A 388 -16.401 2.289 -2.101 1.00 0.00 H new ATOM 0 HB2 ASP A 388 -17.599 -0.280 -1.353 1.00 0.00 H new ATOM 0 HB3 ASP A 388 -15.962 -0.111 -0.750 1.00 0.00 H new ATOM 295 N LYS A 389 -15.007 -0.394 -3.481 1.00 0.00 N ATOM 296 CA LYS A 389 -13.791 -0.939 -4.063 1.00 0.00 C ATOM 297 C LYS A 389 -13.282 -0.027 -5.185 1.00 0.00 C ATOM 298 O LYS A 389 -12.095 0.296 -5.212 1.00 0.00 O ATOM 299 CB LYS A 389 -14.090 -2.357 -4.549 1.00 0.00 C ATOM 300 CG LYS A 389 -12.878 -3.090 -5.131 1.00 0.00 C ATOM 301 CD LYS A 389 -13.286 -4.408 -5.804 1.00 0.00 C ATOM 302 CE LYS A 389 -14.047 -5.372 -4.879 1.00 0.00 C ATOM 303 NZ LYS A 389 -15.494 -5.079 -4.803 1.00 0.00 N ATOM 0 H LYS A 389 -15.812 -1.014 -3.566 1.00 0.00 H new ATOM 0 HA LYS A 389 -12.993 -0.987 -3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 389 -14.487 -2.938 -3.717 1.00 0.00 H new ATOM 0 HB3 LYS A 389 -14.872 -2.312 -5.307 1.00 0.00 H new ATOM 0 HG2 LYS A 389 -12.378 -2.449 -5.857 1.00 0.00 H new ATOM 0 HG3 LYS A 389 -12.159 -3.293 -4.337 1.00 0.00 H new ATOM 0 HD2 LYS A 389 -13.909 -4.184 -6.670 1.00 0.00 H new ATOM 0 HD3 LYS A 389 -12.391 -4.907 -6.175 1.00 0.00 H new ATOM 0 HE2 LYS A 389 -13.907 -6.393 -5.233 1.00 0.00 H new ATOM 0 HE3 LYS A 389 -13.619 -5.320 -3.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 -15.741 -4.800 -3.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 -15.726 -4.304 -5.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 -16.034 -5.927 -5.067 1.00 0.00 H new ATOM 317 N ASN A 390 -14.171 0.390 -6.099 1.00 0.00 N ATOM 318 CA ASN A 390 -13.821 1.275 -7.206 1.00 0.00 C ATOM 319 C ASN A 390 -13.167 2.554 -6.684 1.00 0.00 C ATOM 320 O ASN A 390 -12.149 2.983 -7.220 1.00 0.00 O ATOM 321 CB ASN A 390 -15.059 1.630 -8.046 1.00 0.00 C ATOM 322 CG ASN A 390 -15.600 0.465 -8.872 1.00 0.00 C ATOM 323 OD1 ASN A 390 -14.947 -0.566 -9.019 1.00 0.00 O ATOM 324 ND2 ASN A 390 -16.799 0.620 -9.436 1.00 0.00 N ATOM 0 H ASN A 390 -15.154 0.119 -6.086 1.00 0.00 H new ATOM 0 HA ASN A 390 -13.112 0.745 -7.842 1.00 0.00 H new ATOM 0 HB2 ASN A 390 -15.846 1.989 -7.382 1.00 0.00 H new ATOM 0 HB3 ASN A 390 -14.808 2.452 -8.716 1.00 0.00 H new ATOM 0 HD21 ASN A 390 -17.195 -0.128 -10.006 1.00 0.00 H new ATOM 0 HD22 ASN A 390 -17.320 1.486 -9.298 1.00 0.00 H new ATOM 331 N LEU A 391 -13.745 3.159 -5.641 1.00 0.00 N ATOM 332 CA LEU A 391 -13.236 4.379 -5.033 1.00 0.00 C ATOM 333 C LEU A 391 -11.862 4.139 -4.407 1.00 0.00 C ATOM 334 O LEU A 391 -10.927 4.890 -4.676 1.00 0.00 O ATOM 335 CB LEU A 391 -14.241 4.893 -3.995 1.00 0.00 C ATOM 336 CG LEU A 391 -13.813 6.219 -3.349 1.00 0.00 C ATOM 337 CD1 LEU A 391 -13.791 7.371 -4.358 1.00 0.00 C ATOM 338 CD2 LEU A 391 -14.786 6.556 -2.217 1.00 0.00 C ATOM 0 H LEU A 391 -14.591 2.805 -5.194 1.00 0.00 H new ATOM 0 HA LEU A 391 -13.113 5.140 -5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 391 -15.212 5.025 -4.472 1.00 0.00 H new ATOM 0 HB3 LEU A 391 -14.368 4.140 -3.217 1.00 0.00 H new ATOM 0 HG LEU A 391 -12.800 6.096 -2.967 1.00 0.00 H new ATOM 0 HD11 LEU A 391 -13.483 8.288 -3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 391 -13.087 7.141 -5.158 1.00 0.00 H new ATOM 0 HD13 LEU A 391 -14.787 7.505 -4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 391 -14.491 7.496 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 391 -15.794 6.651 -2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 391 -14.767 5.761 -1.472 1.00 0.00 H new ATOM 350 N ARG A 392 -11.741 3.095 -3.577 1.00 0.00 N ATOM 351 CA ARG A 392 -10.500 2.726 -2.906 1.00 0.00 C ATOM 352 C ARG A 392 -9.383 2.596 -3.947 1.00 0.00 C ATOM 353 O ARG A 392 -8.345 3.251 -3.844 1.00 0.00 O ATOM 354 CB ARG A 392 -10.742 1.429 -2.110 1.00 0.00 C ATOM 355 CG ARG A 392 -9.694 1.104 -1.037 1.00 0.00 C ATOM 356 CD ARG A 392 -8.336 0.684 -1.608 1.00 0.00 C ATOM 357 NE ARG A 392 -7.496 0.033 -0.590 1.00 0.00 N ATOM 358 CZ ARG A 392 -6.815 0.663 0.383 1.00 0.00 C ATOM 359 NH1 ARG A 392 -6.849 1.997 0.484 1.00 0.00 N ATOM 360 NH2 ARG A 392 -6.093 -0.053 1.256 1.00 0.00 N ATOM 0 H ARG A 392 -12.520 2.476 -3.353 1.00 0.00 H new ATOM 0 HA ARG A 392 -10.183 3.492 -2.198 1.00 0.00 H new ATOM 0 HB2 ARG A 392 -11.719 1.495 -1.630 1.00 0.00 H new ATOM 0 HB3 ARG A 392 -10.787 0.596 -2.812 1.00 0.00 H new ATOM 0 HG2 ARG A 392 -9.556 1.978 -0.401 1.00 0.00 H new ATOM 0 HG3 ARG A 392 -10.074 0.304 -0.402 1.00 0.00 H new ATOM 0 HD2 ARG A 392 -8.488 0.002 -2.445 1.00 0.00 H new ATOM 0 HD3 ARG A 392 -7.819 1.560 -2.000 1.00 0.00 H new ATOM 0 HE ARG A 392 -7.424 -0.984 -0.626 1.00 0.00 H new ATOM 0 HH11 ARG A 392 -7.395 2.545 -0.181 1.00 0.00 H new ATOM 0 HH12 ARG A 392 -6.329 2.466 1.226 1.00 0.00 H new ATOM 0 HH21 ARG A 392 -6.062 -1.070 1.180 1.00 0.00 H new ATOM 0 HH22 ARG A 392 -5.574 0.419 1.997 1.00 0.00 H new ATOM 374 N SER A 393 -9.617 1.762 -4.964 1.00 0.00 N ATOM 375 CA SER A 393 -8.693 1.535 -6.065 1.00 0.00 C ATOM 376 C SER A 393 -8.424 2.850 -6.805 1.00 0.00 C ATOM 377 O SER A 393 -7.289 3.128 -7.191 1.00 0.00 O ATOM 378 CB SER A 393 -9.282 0.469 -6.995 1.00 0.00 C ATOM 379 OG SER A 393 -8.414 0.220 -8.081 1.00 0.00 O ATOM 0 H SER A 393 -10.475 1.216 -5.041 1.00 0.00 H new ATOM 0 HA SER A 393 -7.736 1.174 -5.687 1.00 0.00 H new ATOM 0 HB2 SER A 393 -9.451 -0.453 -6.439 1.00 0.00 H new ATOM 0 HB3 SER A 393 -10.252 0.799 -7.367 1.00 0.00 H new ATOM 0 HG SER A 393 -8.863 0.456 -8.919 1.00 0.00 H new ATOM 385 N GLY A 394 -9.471 3.657 -6.990 1.00 0.00 N ATOM 386 CA GLY A 394 -9.416 4.947 -7.646 1.00 0.00 C ATOM 387 C GLY A 394 -8.385 5.854 -6.982 1.00 0.00 C ATOM 388 O GLY A 394 -7.503 6.375 -7.657 1.00 0.00 O ATOM 0 H GLY A 394 -10.409 3.413 -6.673 1.00 0.00 H new ATOM 0 HA2 GLY A 394 -9.164 4.814 -8.698 1.00 0.00 H new ATOM 0 HA3 GLY A 394 -10.398 5.419 -7.610 1.00 0.00 H new ATOM 392 N VAL A 395 -8.484 6.036 -5.662 1.00 0.00 N ATOM 393 CA VAL A 395 -7.549 6.867 -4.917 1.00 0.00 C ATOM 394 C VAL A 395 -6.146 6.262 -4.985 1.00 0.00 C ATOM 395 O VAL A 395 -5.177 6.989 -5.173 1.00 0.00 O ATOM 396 CB VAL A 395 -8.031 7.082 -3.472 1.00 0.00 C ATOM 397 CG1 VAL A 395 -6.991 7.882 -2.677 1.00 0.00 C ATOM 398 CG2 VAL A 395 -9.349 7.868 -3.468 1.00 0.00 C ATOM 0 H VAL A 395 -9.212 5.612 -5.087 1.00 0.00 H new ATOM 0 HA VAL A 395 -7.503 7.855 -5.375 1.00 0.00 H new ATOM 0 HB VAL A 395 -8.176 6.104 -3.014 1.00 0.00 H new ATOM 0 HG11 VAL A 395 -7.346 8.026 -1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 395 -6.048 7.336 -2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -6.840 8.853 -3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 395 -9.682 8.015 -2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 395 -9.196 8.838 -3.942 1.00 0.00 H new ATOM 0 HG23 VAL A 395 -10.107 7.311 -4.019 1.00 0.00 H new ATOM 408 N ARG A 396 -6.015 4.939 -4.846 1.00 0.00 N ATOM 409 CA ARG A 396 -4.709 4.290 -4.919 1.00 0.00 C ATOM 410 C ARG A 396 -4.008 4.594 -6.251 1.00 0.00 C ATOM 411 O ARG A 396 -2.806 4.846 -6.274 1.00 0.00 O ATOM 412 CB ARG A 396 -4.865 2.776 -4.744 1.00 0.00 C ATOM 413 CG ARG A 396 -5.335 2.366 -3.341 1.00 0.00 C ATOM 414 CD ARG A 396 -4.168 1.978 -2.430 1.00 0.00 C ATOM 415 NE ARG A 396 -3.361 3.138 -2.014 1.00 0.00 N ATOM 416 CZ ARG A 396 -2.060 3.088 -1.670 1.00 0.00 C ATOM 417 NH1 ARG A 396 -1.374 1.943 -1.772 1.00 0.00 N ATOM 418 NH2 ARG A 396 -1.443 4.182 -1.211 1.00 0.00 N ATOM 0 H ARG A 396 -6.795 4.302 -4.683 1.00 0.00 H new ATOM 0 HA ARG A 396 -4.091 4.686 -4.113 1.00 0.00 H new ATOM 0 HB2 ARG A 396 -5.578 2.405 -5.480 1.00 0.00 H new ATOM 0 HB3 ARG A 396 -3.910 2.294 -4.954 1.00 0.00 H new ATOM 0 HG2 ARG A 396 -5.887 3.190 -2.890 1.00 0.00 H new ATOM 0 HG3 ARG A 396 -6.025 1.526 -3.422 1.00 0.00 H new ATOM 0 HD2 ARG A 396 -4.556 1.474 -1.545 1.00 0.00 H new ATOM 0 HD3 ARG A 396 -3.529 1.264 -2.949 1.00 0.00 H new ATOM 0 HE ARG A 396 -3.822 4.047 -1.984 1.00 0.00 H new ATOM 0 HH11 ARG A 396 -1.836 1.100 -2.112 1.00 0.00 H new ATOM 0 HH12 ARG A 396 -0.389 1.914 -1.509 1.00 0.00 H new ATOM 0 HH21 ARG A 396 -1.958 5.058 -1.121 1.00 0.00 H new ATOM 0 HH22 ARG A 396 -0.457 4.141 -0.951 1.00 0.00 H new ATOM 432 N LYS A 397 -4.760 4.555 -7.356 1.00 0.00 N ATOM 433 CA LYS A 397 -4.253 4.785 -8.703 1.00 0.00 C ATOM 434 C LYS A 397 -4.056 6.258 -9.069 1.00 0.00 C ATOM 435 O LYS A 397 -2.962 6.650 -9.467 1.00 0.00 O ATOM 436 CB LYS A 397 -5.193 4.112 -9.711 1.00 0.00 C ATOM 437 CG LYS A 397 -5.057 2.587 -9.639 1.00 0.00 C ATOM 438 CD LYS A 397 -6.101 1.927 -10.546 1.00 0.00 C ATOM 439 CE LYS A 397 -5.875 0.415 -10.672 1.00 0.00 C ATOM 440 NZ LYS A 397 -5.905 -0.271 -9.367 1.00 0.00 N ATOM 0 H LYS A 397 -5.760 4.358 -7.333 1.00 0.00 H new ATOM 0 HA LYS A 397 -3.256 4.346 -8.736 1.00 0.00 H new ATOM 0 HB2 LYS A 397 -6.224 4.401 -9.505 1.00 0.00 H new ATOM 0 HB3 LYS A 397 -4.961 4.456 -10.719 1.00 0.00 H new ATOM 0 HG2 LYS A 397 -4.055 2.288 -9.946 1.00 0.00 H new ATOM 0 HG3 LYS A 397 -5.190 2.249 -8.611 1.00 0.00 H new ATOM 0 HD2 LYS A 397 -7.098 2.113 -10.147 1.00 0.00 H new ATOM 0 HD3 LYS A 397 -6.063 2.383 -11.535 1.00 0.00 H new ATOM 0 HE2 LYS A 397 -6.641 -0.011 -11.320 1.00 0.00 H new ATOM 0 HE3 LYS A 397 -4.914 0.233 -11.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 -5.798 -1.295 -9.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 -5.126 0.078 -8.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 -6.812 -0.080 -8.895 1.00 0.00 H new ATOM 454 N TYR A 398 -5.125 7.054 -8.991 1.00 0.00 N ATOM 455 CA TYR A 398 -5.151 8.453 -9.413 1.00 0.00 C ATOM 456 C TYR A 398 -5.058 9.482 -8.287 1.00 0.00 C ATOM 457 O TYR A 398 -4.973 10.673 -8.579 1.00 0.00 O ATOM 458 CB TYR A 398 -6.408 8.653 -10.272 1.00 0.00 C ATOM 459 CG TYR A 398 -6.569 7.538 -11.290 1.00 0.00 C ATOM 460 CD1 TYR A 398 -5.742 7.500 -12.427 1.00 0.00 C ATOM 461 CD2 TYR A 398 -7.523 6.523 -11.085 1.00 0.00 C ATOM 462 CE1 TYR A 398 -5.870 6.453 -13.356 1.00 0.00 C ATOM 463 CE2 TYR A 398 -7.649 5.477 -12.014 1.00 0.00 C ATOM 464 CZ TYR A 398 -6.823 5.441 -13.149 1.00 0.00 C ATOM 465 OH TYR A 398 -6.949 4.422 -14.046 1.00 0.00 O ATOM 0 H TYR A 398 -6.020 6.733 -8.622 1.00 0.00 H new ATOM 0 HA TYR A 398 -4.243 8.642 -9.985 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -7.287 8.690 -9.629 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -6.349 9.612 -10.787 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -5.008 8.276 -12.586 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -8.159 6.549 -10.212 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -5.236 6.426 -14.230 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -8.382 4.700 -11.855 1.00 0.00 H new ATOM 0 HH TYR A 398 -7.654 3.810 -13.748 1.00 0.00 H new ATOM 475 N GLY A 399 -5.063 9.059 -7.019 1.00 0.00 N ATOM 476 CA GLY A 399 -4.971 9.972 -5.888 1.00 0.00 C ATOM 477 C GLY A 399 -6.279 10.721 -5.642 1.00 0.00 C ATOM 478 O GLY A 399 -7.237 10.607 -6.406 1.00 0.00 O ATOM 0 H GLY A 399 -5.131 8.076 -6.754 1.00 0.00 H new ATOM 0 HA2 GLY A 399 -4.701 9.412 -4.993 1.00 0.00 H new ATOM 0 HA3 GLY A 399 -4.171 10.691 -6.068 1.00 0.00 H new ATOM 482 N GLU A 400 -6.308 11.504 -4.559 1.00 0.00 N ATOM 483 CA GLU A 400 -7.465 12.307 -4.198 1.00 0.00 C ATOM 484 C GLU A 400 -7.573 13.490 -5.161 1.00 0.00 C ATOM 485 O GLU A 400 -6.666 13.735 -5.958 1.00 0.00 O ATOM 486 CB GLU A 400 -7.350 12.765 -2.741 1.00 0.00 C ATOM 487 CG GLU A 400 -7.305 11.556 -1.794 1.00 0.00 C ATOM 488 CD GLU A 400 -7.428 11.959 -0.331 1.00 0.00 C ATOM 489 OE1 GLU A 400 -8.206 12.895 -0.043 1.00 0.00 O ATOM 490 OE2 GLU A 400 -6.795 11.288 0.517 1.00 0.00 O ATOM 0 H GLU A 400 -5.525 11.594 -3.911 1.00 0.00 H new ATOM 0 HA GLU A 400 -8.376 11.715 -4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -6.450 13.367 -2.614 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -8.198 13.401 -2.487 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -8.112 10.869 -2.048 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -6.369 11.017 -1.942 1.00 0.00 H new ATOM 497 N GLY A 401 -8.688 14.226 -5.119 1.00 0.00 N ATOM 498 CA GLY A 401 -8.919 15.364 -6.001 1.00 0.00 C ATOM 499 C GLY A 401 -9.393 14.910 -7.384 1.00 0.00 C ATOM 500 O GLY A 401 -10.303 15.508 -7.955 1.00 0.00 O ATOM 0 H GLY A 401 -9.454 14.046 -4.470 1.00 0.00 H new ATOM 0 HA2 GLY A 401 -9.664 16.025 -5.558 1.00 0.00 H new ATOM 0 HA3 GLY A 401 -8.000 15.942 -6.101 1.00 0.00 H new ATOM 504 N ASN A 402 -8.782 13.847 -7.921 1.00 0.00 N ATOM 505 CA ASN A 402 -9.053 13.240 -9.218 1.00 0.00 C ATOM 506 C ASN A 402 -10.363 12.436 -9.204 1.00 0.00 C ATOM 507 O ASN A 402 -10.428 11.330 -9.736 1.00 0.00 O ATOM 508 CB ASN A 402 -7.844 12.358 -9.568 1.00 0.00 C ATOM 509 CG ASN A 402 -6.570 13.182 -9.779 1.00 0.00 C ATOM 510 OD1 ASN A 402 -6.193 13.435 -10.920 1.00 0.00 O ATOM 511 ND2 ASN A 402 -5.891 13.614 -8.715 1.00 0.00 N ATOM 0 H ASN A 402 -8.037 13.360 -7.423 1.00 0.00 H new ATOM 0 HA ASN A 402 -9.189 14.010 -9.978 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -7.679 11.636 -8.768 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -8.061 11.789 -10.472 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -5.042 14.165 -8.841 1.00 0.00 H new ATOM 0 HD22 ASN A 402 -6.221 13.393 -7.775 1.00 0.00 H new ATOM 518 N TRP A 403 -11.417 12.989 -8.597 1.00 0.00 N ATOM 519 CA TRP A 403 -12.721 12.361 -8.466 1.00 0.00 C ATOM 520 C TRP A 403 -13.388 12.169 -9.826 1.00 0.00 C ATOM 521 O TRP A 403 -13.915 11.096 -10.103 1.00 0.00 O ATOM 522 CB TRP A 403 -13.573 13.179 -7.490 1.00 0.00 C ATOM 523 CG TRP A 403 -12.871 13.495 -6.202 1.00 0.00 C ATOM 524 CD1 TRP A 403 -12.587 14.734 -5.744 1.00 0.00 C ATOM 525 CD2 TRP A 403 -12.340 12.571 -5.203 1.00 0.00 C ATOM 526 NE1 TRP A 403 -11.921 14.651 -4.539 1.00 0.00 N ATOM 527 CE2 TRP A 403 -11.740 13.336 -4.160 1.00 0.00 C ATOM 528 CE3 TRP A 403 -12.298 11.167 -5.071 1.00 0.00 C ATOM 529 CZ2 TRP A 403 -11.131 12.740 -3.045 1.00 0.00 C ATOM 530 CZ3 TRP A 403 -11.688 10.559 -3.958 1.00 0.00 C ATOM 531 CH2 TRP A 403 -11.105 11.341 -2.948 1.00 0.00 C ATOM 0 H TRP A 403 -11.378 13.915 -8.172 1.00 0.00 H new ATOM 0 HA TRP A 403 -12.607 11.358 -8.055 1.00 0.00 H new ATOM 0 HB2 TRP A 403 -13.869 14.111 -7.971 1.00 0.00 H new ATOM 0 HB3 TRP A 403 -14.488 12.629 -7.270 1.00 0.00 H new ATOM 0 HD1 TRP A 403 -12.844 15.654 -6.248 1.00 0.00 H new ATOM 0 HE1 TRP A 403 -11.604 15.456 -3.999 1.00 0.00 H new ATOM 0 HE3 TRP A 403 -12.742 10.548 -5.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 403 -10.688 13.350 -2.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 403 -11.668 9.482 -3.880 1.00 0.00 H new ATOM 0 HH2 TRP A 403 -10.637 10.866 -2.098 1.00 0.00 H new ATOM 542 N SER A 404 -13.352 13.198 -10.679 1.00 0.00 N ATOM 543 CA SER A 404 -13.925 13.144 -12.017 1.00 0.00 C ATOM 544 C SER A 404 -13.276 12.011 -12.821 1.00 0.00 C ATOM 545 O SER A 404 -13.959 11.252 -13.506 1.00 0.00 O ATOM 546 CB SER A 404 -13.728 14.497 -12.707 1.00 0.00 C ATOM 547 OG SER A 404 -14.172 15.535 -11.856 1.00 0.00 O ATOM 0 H SER A 404 -12.921 14.094 -10.454 1.00 0.00 H new ATOM 0 HA SER A 404 -14.994 12.939 -11.953 1.00 0.00 H new ATOM 0 HB2 SER A 404 -12.676 14.641 -12.953 1.00 0.00 H new ATOM 0 HB3 SER A 404 -14.281 14.521 -13.646 1.00 0.00 H new ATOM 0 HG SER A 404 -14.043 16.399 -12.300 1.00 0.00 H new ATOM 553 N LYS A 405 -11.946 11.892 -12.718 1.00 0.00 N ATOM 554 CA LYS A 405 -11.196 10.846 -13.392 1.00 0.00 C ATOM 555 C LYS A 405 -11.632 9.487 -12.849 1.00 0.00 C ATOM 556 O LYS A 405 -12.006 8.624 -13.633 1.00 0.00 O ATOM 557 CB LYS A 405 -9.692 11.069 -13.206 1.00 0.00 C ATOM 558 CG LYS A 405 -9.169 12.130 -14.182 1.00 0.00 C ATOM 559 CD LYS A 405 -7.790 12.663 -13.772 1.00 0.00 C ATOM 560 CE LYS A 405 -6.741 11.552 -13.631 1.00 0.00 C ATOM 561 NZ LYS A 405 -5.431 12.096 -13.231 1.00 0.00 N ATOM 0 H LYS A 405 -11.368 12.523 -12.163 1.00 0.00 H new ATOM 0 HA LYS A 405 -11.401 10.874 -14.462 1.00 0.00 H new ATOM 0 HB2 LYS A 405 -9.491 11.382 -12.181 1.00 0.00 H new ATOM 0 HB3 LYS A 405 -9.159 10.131 -13.363 1.00 0.00 H new ATOM 0 HG2 LYS A 405 -9.109 11.703 -15.183 1.00 0.00 H new ATOM 0 HG3 LYS A 405 -9.877 12.957 -14.231 1.00 0.00 H new ATOM 0 HD2 LYS A 405 -7.450 13.386 -14.514 1.00 0.00 H new ATOM 0 HD3 LYS A 405 -7.878 13.195 -12.825 1.00 0.00 H new ATOM 0 HE2 LYS A 405 -7.076 10.825 -12.891 1.00 0.00 H new ATOM 0 HE3 LYS A 405 -6.642 11.021 -14.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 -4.787 11.314 -12.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 -5.031 12.650 -14.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 -5.549 12.708 -12.399 1.00 0.00 H new ATOM 575 N ILE A 406 -11.600 9.295 -11.524 1.00 0.00 N ATOM 576 CA ILE A 406 -12.011 8.047 -10.881 1.00 0.00 C ATOM 577 C ILE A 406 -13.404 7.634 -11.375 1.00 0.00 C ATOM 578 O ILE A 406 -13.615 6.481 -11.749 1.00 0.00 O ATOM 579 CB ILE A 406 -11.928 8.206 -9.349 1.00 0.00 C ATOM 580 CG1 ILE A 406 -10.447 8.237 -8.929 1.00 0.00 C ATOM 581 CG2 ILE A 406 -12.665 7.071 -8.621 1.00 0.00 C ATOM 582 CD1 ILE A 406 -10.232 8.776 -7.510 1.00 0.00 C ATOM 0 H ILE A 406 -11.285 10.008 -10.866 1.00 0.00 H new ATOM 0 HA ILE A 406 -11.335 7.237 -11.154 1.00 0.00 H new ATOM 0 HB ILE A 406 -12.415 9.140 -9.069 1.00 0.00 H new ATOM 0 HG12 ILE A 406 -10.037 7.229 -8.994 1.00 0.00 H new ATOM 0 HG13 ILE A 406 -9.889 8.854 -9.633 1.00 0.00 H new ATOM 0 HG21 ILE A 406 -12.585 7.217 -7.544 1.00 0.00 H new ATOM 0 HG22 ILE A 406 -13.716 7.075 -8.910 1.00 0.00 H new ATOM 0 HG23 ILE A 406 -12.218 6.114 -8.892 1.00 0.00 H new ATOM 0 HD11 ILE A 406 -9.167 8.771 -7.276 1.00 0.00 H new ATOM 0 HD12 ILE A 406 -10.613 9.795 -7.446 1.00 0.00 H new ATOM 0 HD13 ILE A 406 -10.763 8.145 -6.797 1.00 0.00 H new ATOM 594 N LEU A 407 -14.343 8.587 -11.390 1.00 0.00 N ATOM 595 CA LEU A 407 -15.712 8.396 -11.848 1.00 0.00 C ATOM 596 C LEU A 407 -15.739 7.913 -13.301 1.00 0.00 C ATOM 597 O LEU A 407 -16.525 7.031 -13.634 1.00 0.00 O ATOM 598 CB LEU A 407 -16.476 9.718 -11.679 1.00 0.00 C ATOM 599 CG LEU A 407 -17.935 9.710 -12.160 1.00 0.00 C ATOM 600 CD1 LEU A 407 -18.783 8.649 -11.450 1.00 0.00 C ATOM 601 CD2 LEU A 407 -18.541 11.095 -11.905 1.00 0.00 C ATOM 0 H LEU A 407 -14.159 9.539 -11.073 1.00 0.00 H new ATOM 0 HA LEU A 407 -16.197 7.624 -11.250 1.00 0.00 H new ATOM 0 HB2 LEU A 407 -16.462 9.992 -10.624 1.00 0.00 H new ATOM 0 HB3 LEU A 407 -15.939 10.498 -12.218 1.00 0.00 H new ATOM 0 HG LEU A 407 -17.936 9.466 -13.222 1.00 0.00 H new ATOM 0 HD11 LEU A 407 -19.805 8.687 -11.828 1.00 0.00 H new ATOM 0 HD12 LEU A 407 -18.363 7.661 -11.639 1.00 0.00 H new ATOM 0 HD13 LEU A 407 -18.785 8.843 -10.377 1.00 0.00 H new ATOM 0 HD21 LEU A 407 -19.578 11.106 -12.241 1.00 0.00 H new ATOM 0 HD22 LEU A 407 -18.503 11.318 -10.839 1.00 0.00 H new ATOM 0 HD23 LEU A 407 -17.974 11.847 -12.453 1.00 0.00 H new ATOM 613 N LEU A 408 -14.887 8.489 -14.158 1.00 0.00 N ATOM 614 CA LEU A 408 -14.806 8.133 -15.570 1.00 0.00 C ATOM 615 C LEU A 408 -14.186 6.744 -15.766 1.00 0.00 C ATOM 616 O LEU A 408 -14.682 5.957 -16.567 1.00 0.00 O ATOM 617 CB LEU A 408 -14.016 9.222 -16.313 1.00 0.00 C ATOM 618 CG LEU A 408 -13.852 8.977 -17.822 1.00 0.00 C ATOM 619 CD1 LEU A 408 -15.201 8.932 -18.550 1.00 0.00 C ATOM 620 CD2 LEU A 408 -12.995 10.100 -18.417 1.00 0.00 C ATOM 0 H LEU A 408 -14.231 9.221 -13.883 1.00 0.00 H new ATOM 0 HA LEU A 408 -15.812 8.078 -15.986 1.00 0.00 H new ATOM 0 HB2 LEU A 408 -14.516 10.179 -16.166 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -13.027 9.306 -15.862 1.00 0.00 H new ATOM 0 HG LEU A 408 -13.372 8.008 -17.955 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -15.035 8.757 -19.613 1.00 0.00 H new ATOM 0 HD12 LEU A 408 -15.809 8.126 -18.140 1.00 0.00 H new ATOM 0 HD13 LEU A 408 -15.719 9.882 -18.415 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -12.872 9.936 -19.488 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -13.486 11.059 -18.251 1.00 0.00 H new ATOM 0 HD23 LEU A 408 -12.017 10.105 -17.936 1.00 0.00 H new ATOM 632 N HIS A 409 -13.097 6.448 -15.048 1.00 0.00 N ATOM 633 CA HIS A 409 -12.384 5.182 -15.131 1.00 0.00 C ATOM 634 C HIS A 409 -13.269 4.017 -14.691 1.00 0.00 C ATOM 635 O HIS A 409 -13.364 3.015 -15.398 1.00 0.00 O ATOM 636 CB HIS A 409 -11.109 5.235 -14.274 1.00 0.00 C ATOM 637 CG HIS A 409 -10.078 6.227 -14.750 1.00 0.00 C ATOM 638 ND1 HIS A 409 -9.576 6.225 -16.044 1.00 0.00 N ATOM 639 CD2 HIS A 409 -9.433 7.263 -14.117 1.00 0.00 C ATOM 640 CE1 HIS A 409 -8.684 7.226 -16.127 1.00 0.00 C ATOM 641 NE2 HIS A 409 -8.549 7.901 -14.984 1.00 0.00 N ATOM 0 H HIS A 409 -12.683 7.100 -14.381 1.00 0.00 H new ATOM 0 HA HIS A 409 -12.107 5.018 -16.173 1.00 0.00 H new ATOM 0 HB2 HIS A 409 -11.385 5.481 -13.249 1.00 0.00 H new ATOM 0 HB3 HIS A 409 -10.658 4.243 -14.254 1.00 0.00 H new ATOM 0 HD2 HIS A 409 -9.591 7.544 -13.086 1.00 0.00 H new ATOM 0 HE1 HIS A 409 -8.133 7.460 -17.026 1.00 0.00 H new ATOM 0 HE2 HIS A 409 -7.941 8.697 -14.791 1.00 0.00 H new ATOM 649 N TYR A 410 -13.900 4.148 -13.519 1.00 0.00 N ATOM 650 CA TYR A 410 -14.765 3.128 -12.946 1.00 0.00 C ATOM 651 C TYR A 410 -16.238 3.437 -13.244 1.00 0.00 C ATOM 652 O TYR A 410 -16.546 4.093 -14.236 1.00 0.00 O ATOM 653 CB TYR A 410 -14.430 2.998 -11.453 1.00 0.00 C ATOM 654 CG TYR A 410 -13.044 2.439 -11.213 1.00 0.00 C ATOM 655 CD1 TYR A 410 -12.837 1.051 -11.321 1.00 0.00 C ATOM 656 CD2 TYR A 410 -11.966 3.286 -10.893 1.00 0.00 C ATOM 657 CE1 TYR A 410 -11.560 0.510 -11.115 1.00 0.00 C ATOM 658 CE2 TYR A 410 -10.685 2.741 -10.686 1.00 0.00 C ATOM 659 CZ TYR A 410 -10.485 1.355 -10.799 1.00 0.00 C ATOM 660 OH TYR A 410 -9.246 0.824 -10.607 1.00 0.00 O ATOM 0 H TYR A 410 -13.818 4.982 -12.938 1.00 0.00 H new ATOM 0 HA TYR A 410 -14.590 2.154 -13.403 1.00 0.00 H new ATOM 0 HB2 TYR A 410 -14.510 3.977 -10.980 1.00 0.00 H new ATOM 0 HB3 TYR A 410 -15.166 2.352 -10.974 1.00 0.00 H new ATOM 0 HD1 TYR A 410 -13.664 0.401 -11.563 1.00 0.00 H new ATOM 0 HD2 TYR A 410 -12.122 4.351 -10.807 1.00 0.00 H new ATOM 0 HE1 TYR A 410 -11.404 -0.555 -11.199 1.00 0.00 H new ATOM 0 HE2 TYR A 410 -9.856 3.388 -10.440 1.00 0.00 H new ATOM 0 HH TYR A 410 -8.661 1.081 -11.350 1.00 0.00 H new ATOM 670 N LYS A 411 -17.147 2.949 -12.394 1.00 0.00 N ATOM 671 CA LYS A 411 -18.585 3.121 -12.504 1.00 0.00 C ATOM 672 C LYS A 411 -19.140 3.322 -11.096 1.00 0.00 C ATOM 673 O LYS A 411 -18.628 2.741 -10.136 1.00 0.00 O ATOM 674 CB LYS A 411 -19.215 1.895 -13.184 1.00 0.00 C ATOM 675 CG LYS A 411 -18.719 0.574 -12.575 1.00 0.00 C ATOM 676 CD LYS A 411 -19.518 -0.645 -13.045 1.00 0.00 C ATOM 677 CE LYS A 411 -20.942 -0.648 -12.474 1.00 0.00 C ATOM 678 NZ LYS A 411 -21.560 -1.978 -12.611 1.00 0.00 N ATOM 0 H LYS A 411 -16.881 2.400 -11.577 1.00 0.00 H new ATOM 0 HA LYS A 411 -18.825 3.989 -13.119 1.00 0.00 H new ATOM 0 HB2 LYS A 411 -20.300 1.950 -13.094 1.00 0.00 H new ATOM 0 HB3 LYS A 411 -18.982 1.912 -14.249 1.00 0.00 H new ATOM 0 HG2 LYS A 411 -17.669 0.434 -12.833 1.00 0.00 H new ATOM 0 HG3 LYS A 411 -18.774 0.639 -11.488 1.00 0.00 H new ATOM 0 HD2 LYS A 411 -19.563 -0.652 -14.134 1.00 0.00 H new ATOM 0 HD3 LYS A 411 -19.003 -1.556 -12.741 1.00 0.00 H new ATOM 0 HE2 LYS A 411 -20.917 -0.361 -11.423 1.00 0.00 H new ATOM 0 HE3 LYS A 411 -21.548 0.094 -12.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 -22.596 -1.883 -12.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 -21.265 -2.407 -13.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 -21.256 -2.585 -11.823 1.00 0.00 H new ATOM 692 N PHE A 412 -20.181 4.153 -10.982 1.00 0.00 N ATOM 693 CA PHE A 412 -20.841 4.480 -9.730 1.00 0.00 C ATOM 694 C PHE A 412 -22.291 4.865 -10.026 1.00 0.00 C ATOM 695 O PHE A 412 -22.577 5.411 -11.092 1.00 0.00 O ATOM 696 CB PHE A 412 -20.130 5.669 -9.071 1.00 0.00 C ATOM 697 CG PHE A 412 -18.710 5.457 -8.582 1.00 0.00 C ATOM 698 CD1 PHE A 412 -17.613 5.677 -9.438 1.00 0.00 C ATOM 699 CD2 PHE A 412 -18.480 5.050 -7.256 1.00 0.00 C ATOM 700 CE1 PHE A 412 -16.299 5.495 -8.970 1.00 0.00 C ATOM 701 CE2 PHE A 412 -17.168 4.868 -6.791 1.00 0.00 C ATOM 702 CZ PHE A 412 -16.075 5.091 -7.642 1.00 0.00 C ATOM 0 H PHE A 412 -20.594 4.626 -11.786 1.00 0.00 H new ATOM 0 HA PHE A 412 -20.808 3.621 -9.060 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -20.119 6.492 -9.786 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -20.733 5.992 -8.222 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -17.782 5.987 -10.459 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -19.315 4.877 -6.593 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -15.462 5.666 -9.631 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -16.999 4.554 -5.772 1.00 0.00 H new ATOM 0 HZ PHE A 412 -15.067 4.953 -7.279 1.00 0.00 H new ATOM 712 N ASN A 413 -23.208 4.599 -9.088 1.00 0.00 N ATOM 713 CA ASN A 413 -24.626 4.917 -9.219 1.00 0.00 C ATOM 714 C ASN A 413 -24.862 6.403 -8.934 1.00 0.00 C ATOM 715 O ASN A 413 -25.474 6.761 -7.928 1.00 0.00 O ATOM 716 CB ASN A 413 -25.471 4.022 -8.298 1.00 0.00 C ATOM 717 CG ASN A 413 -25.451 2.558 -8.732 1.00 0.00 C ATOM 718 OD1 ASN A 413 -26.377 2.087 -9.388 1.00 0.00 O ATOM 719 ND2 ASN A 413 -24.402 1.825 -8.364 1.00 0.00 N ATOM 0 H ASN A 413 -22.976 4.149 -8.203 1.00 0.00 H new ATOM 0 HA ASN A 413 -24.940 4.718 -10.244 1.00 0.00 H new ATOM 0 HB2 ASN A 413 -25.098 4.101 -7.277 1.00 0.00 H new ATOM 0 HB3 ASN A 413 -26.500 4.382 -8.290 1.00 0.00 H new ATOM 0 HD21 ASN A 413 -24.350 0.841 -8.627 1.00 0.00 H new ATOM 0 HD22 ASN A 413 -23.650 2.248 -7.819 1.00 0.00 H new ATOM 726 N ASN A 414 -24.375 7.265 -9.836 1.00 0.00 N ATOM 727 CA ASN A 414 -24.497 8.719 -9.783 1.00 0.00 C ATOM 728 C ASN A 414 -23.828 9.317 -8.543 1.00 0.00 C ATOM 729 O ASN A 414 -24.479 9.979 -7.736 1.00 0.00 O ATOM 730 CB ASN A 414 -25.965 9.161 -9.896 1.00 0.00 C ATOM 731 CG ASN A 414 -26.644 8.588 -11.136 1.00 0.00 C ATOM 732 OD1 ASN A 414 -26.495 9.122 -12.232 1.00 0.00 O ATOM 733 ND2 ASN A 414 -27.392 7.498 -10.969 1.00 0.00 N ATOM 0 H ASN A 414 -23.862 6.948 -10.659 1.00 0.00 H new ATOM 0 HA ASN A 414 -23.961 9.111 -10.647 1.00 0.00 H new ATOM 0 HB2 ASN A 414 -26.508 8.843 -9.006 1.00 0.00 H new ATOM 0 HB3 ASN A 414 -26.014 10.249 -9.927 1.00 0.00 H new ATOM 0 HD21 ASN A 414 -27.866 7.077 -11.768 1.00 0.00 H new ATOM 0 HD22 ASN A 414 -27.491 7.084 -10.042 1.00 0.00 H new ATOM 740 N ARG A 415 -22.518 9.093 -8.395 1.00 0.00 N ATOM 741 CA ARG A 415 -21.731 9.610 -7.282 1.00 0.00 C ATOM 742 C ARG A 415 -20.982 10.838 -7.789 1.00 0.00 C ATOM 743 O ARG A 415 -20.057 10.713 -8.588 1.00 0.00 O ATOM 744 CB ARG A 415 -20.748 8.548 -6.772 1.00 0.00 C ATOM 745 CG ARG A 415 -21.371 7.468 -5.874 1.00 0.00 C ATOM 746 CD ARG A 415 -22.698 6.907 -6.386 1.00 0.00 C ATOM 747 NE ARG A 415 -23.047 5.654 -5.707 1.00 0.00 N ATOM 748 CZ ARG A 415 -23.985 5.481 -4.764 1.00 0.00 C ATOM 749 NH1 ARG A 415 -24.697 6.510 -4.286 1.00 0.00 N ATOM 750 NH2 ARG A 415 -24.223 4.255 -4.292 1.00 0.00 N ATOM 0 H ARG A 415 -21.972 8.540 -9.056 1.00 0.00 H new ATOM 0 HA ARG A 415 -22.379 9.874 -6.446 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -20.283 8.063 -7.630 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -19.953 9.046 -6.218 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -20.661 6.648 -5.767 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -21.527 7.886 -4.879 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -23.489 7.640 -6.229 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -22.632 6.734 -7.460 1.00 0.00 H new ATOM 0 HE ARG A 415 -22.520 4.825 -5.982 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -24.532 7.452 -4.639 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -25.405 6.351 -3.569 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -23.693 3.460 -4.649 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -24.934 4.114 -3.575 1.00 0.00 H new ATOM 764 N THR A 416 -21.391 12.024 -7.328 1.00 0.00 N ATOM 765 CA THR A 416 -20.776 13.285 -7.715 1.00 0.00 C ATOM 766 C THR A 416 -19.352 13.382 -7.160 1.00 0.00 C ATOM 767 O THR A 416 -18.973 12.610 -6.281 1.00 0.00 O ATOM 768 CB THR A 416 -21.617 14.452 -7.171 1.00 0.00 C ATOM 769 OG1 THR A 416 -21.623 14.430 -5.756 1.00 0.00 O ATOM 770 CG2 THR A 416 -23.057 14.423 -7.697 1.00 0.00 C ATOM 0 H THR A 416 -22.164 12.130 -6.671 1.00 0.00 H new ATOM 0 HA THR A 416 -20.732 13.334 -8.803 1.00 0.00 H new ATOM 0 HB THR A 416 -21.156 15.375 -7.524 1.00 0.00 H new ATOM 0 HG1 THR A 416 -22.160 15.178 -5.419 1.00 0.00 H new ATOM 0 HG21 THR A 416 -23.612 15.266 -7.285 1.00 0.00 H new ATOM 0 HG22 THR A 416 -23.048 14.491 -8.785 1.00 0.00 H new ATOM 0 HG23 THR A 416 -23.536 13.492 -7.395 1.00 0.00 H new ATOM 778 N SER A 417 -18.574 14.356 -7.650 1.00 0.00 N ATOM 779 CA SER A 417 -17.220 14.607 -7.169 1.00 0.00 C ATOM 780 C SER A 417 -17.261 14.803 -5.650 1.00 0.00 C ATOM 781 O SER A 417 -16.430 14.261 -4.923 1.00 0.00 O ATOM 782 CB SER A 417 -16.627 15.827 -7.884 1.00 0.00 C ATOM 783 OG SER A 417 -17.510 16.930 -7.815 1.00 0.00 O ATOM 0 H SER A 417 -18.871 14.990 -8.392 1.00 0.00 H new ATOM 0 HA SER A 417 -16.576 13.756 -7.390 1.00 0.00 H new ATOM 0 HB2 SER A 417 -15.672 16.091 -7.430 1.00 0.00 H new ATOM 0 HB3 SER A 417 -16.427 15.581 -8.927 1.00 0.00 H new ATOM 0 HG SER A 417 -17.111 17.698 -8.276 1.00 0.00 H new ATOM 789 N VAL A 418 -18.261 15.561 -5.187 1.00 0.00 N ATOM 790 CA VAL A 418 -18.502 15.839 -3.784 1.00 0.00 C ATOM 791 C VAL A 418 -18.775 14.533 -3.035 1.00 0.00 C ATOM 792 O VAL A 418 -18.187 14.312 -1.981 1.00 0.00 O ATOM 793 CB VAL A 418 -19.661 16.841 -3.632 1.00 0.00 C ATOM 794 CG1 VAL A 418 -19.938 17.137 -2.151 1.00 0.00 C ATOM 795 CG2 VAL A 418 -19.339 18.161 -4.347 1.00 0.00 C ATOM 0 H VAL A 418 -18.940 16.007 -5.804 1.00 0.00 H new ATOM 0 HA VAL A 418 -17.615 16.296 -3.345 1.00 0.00 H new ATOM 0 HB VAL A 418 -20.544 16.388 -4.083 1.00 0.00 H new ATOM 0 HG11 VAL A 418 -20.761 17.847 -2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 418 -20.205 16.213 -1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 418 -19.045 17.562 -1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 418 -20.172 18.853 -4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 418 -18.439 18.598 -3.916 1.00 0.00 H new ATOM 0 HG23 VAL A 418 -19.177 17.970 -5.408 1.00 0.00 H new ATOM 805 N MET A 419 -19.654 13.668 -3.558 1.00 0.00 N ATOM 806 CA MET A 419 -19.981 12.403 -2.907 1.00 0.00 C ATOM 807 C MET A 419 -18.755 11.487 -2.806 1.00 0.00 C ATOM 808 O MET A 419 -18.503 10.920 -1.746 1.00 0.00 O ATOM 809 CB MET A 419 -21.162 11.724 -3.614 1.00 0.00 C ATOM 810 CG MET A 419 -21.775 10.630 -2.730 1.00 0.00 C ATOM 811 SD MET A 419 -23.131 9.679 -3.464 1.00 0.00 S ATOM 812 CE MET A 419 -24.364 10.978 -3.728 1.00 0.00 C ATOM 0 H MET A 419 -20.151 13.827 -4.435 1.00 0.00 H new ATOM 0 HA MET A 419 -20.290 12.614 -1.883 1.00 0.00 H new ATOM 0 HB2 MET A 419 -21.921 12.467 -3.858 1.00 0.00 H new ATOM 0 HB3 MET A 419 -20.826 11.290 -4.556 1.00 0.00 H new ATOM 0 HG2 MET A 419 -20.984 9.936 -2.445 1.00 0.00 H new ATOM 0 HG3 MET A 419 -22.138 11.094 -1.813 1.00 0.00 H new ATOM 0 HE1 MET A 419 -25.306 10.527 -4.042 1.00 0.00 H new ATOM 0 HE2 MET A 419 -24.517 11.529 -2.800 1.00 0.00 H new ATOM 0 HE3 MET A 419 -24.013 11.661 -4.502 1.00 0.00 H new ATOM 822 N LEU A 420 -17.991 11.345 -3.897 1.00 0.00 N ATOM 823 CA LEU A 420 -16.782 10.525 -3.943 1.00 0.00 C ATOM 824 C LEU A 420 -15.798 11.026 -2.880 1.00 0.00 C ATOM 825 O LEU A 420 -15.292 10.250 -2.066 1.00 0.00 O ATOM 826 CB LEU A 420 -16.147 10.606 -5.345 1.00 0.00 C ATOM 827 CG LEU A 420 -17.007 9.950 -6.439 1.00 0.00 C ATOM 828 CD1 LEU A 420 -16.692 10.536 -7.815 1.00 0.00 C ATOM 829 CD2 LEU A 420 -16.763 8.442 -6.521 1.00 0.00 C ATOM 0 H LEU A 420 -18.202 11.805 -4.783 1.00 0.00 H new ATOM 0 HA LEU A 420 -17.033 9.484 -3.739 1.00 0.00 H new ATOM 0 HB2 LEU A 420 -15.981 11.652 -5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 420 -15.170 10.124 -5.322 1.00 0.00 H new ATOM 0 HG LEU A 420 -18.044 10.147 -6.167 1.00 0.00 H new ATOM 0 HD11 LEU A 420 -17.315 10.053 -8.568 1.00 0.00 H new ATOM 0 HD12 LEU A 420 -16.894 11.607 -7.809 1.00 0.00 H new ATOM 0 HD13 LEU A 420 -15.641 10.367 -8.051 1.00 0.00 H new ATOM 0 HD21 LEU A 420 -17.388 8.014 -7.305 1.00 0.00 H new ATOM 0 HD22 LEU A 420 -15.714 8.255 -6.751 1.00 0.00 H new ATOM 0 HD23 LEU A 420 -17.013 7.981 -5.566 1.00 0.00 H new ATOM 841 N LYS A 421 -15.550 12.340 -2.892 1.00 0.00 N ATOM 842 CA LYS A 421 -14.665 13.010 -1.957 1.00 0.00 C ATOM 843 C LYS A 421 -15.115 12.765 -0.518 1.00 0.00 C ATOM 844 O LYS A 421 -14.302 12.375 0.316 1.00 0.00 O ATOM 845 CB LYS A 421 -14.636 14.511 -2.278 1.00 0.00 C ATOM 846 CG LYS A 421 -13.653 15.284 -1.387 1.00 0.00 C ATOM 847 CD LYS A 421 -13.538 16.760 -1.799 1.00 0.00 C ATOM 848 CE LYS A 421 -14.845 17.533 -1.567 1.00 0.00 C ATOM 849 NZ LYS A 421 -14.684 18.976 -1.827 1.00 0.00 N ATOM 0 H LYS A 421 -15.973 12.974 -3.570 1.00 0.00 H new ATOM 0 HA LYS A 421 -13.658 12.605 -2.058 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -14.361 14.650 -3.323 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -15.637 14.925 -2.154 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -13.980 15.222 -0.349 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -12.670 14.815 -1.440 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -12.734 17.231 -1.233 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -13.265 16.821 -2.852 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -15.624 17.132 -2.215 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -15.177 17.384 -0.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -15.588 19.462 -1.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -13.959 19.365 -1.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -14.392 19.120 -2.815 1.00 0.00 H new ATOM 863 N ASP A 422 -16.398 13.003 -0.226 1.00 0.00 N ATOM 864 CA ASP A 422 -16.961 12.844 1.106 1.00 0.00 C ATOM 865 C ASP A 422 -16.877 11.397 1.593 1.00 0.00 C ATOM 866 O ASP A 422 -16.570 11.151 2.758 1.00 0.00 O ATOM 867 CB ASP A 422 -18.396 13.372 1.157 1.00 0.00 C ATOM 868 CG ASP A 422 -18.847 13.511 2.606 1.00 0.00 C ATOM 869 OD1 ASP A 422 -18.296 14.409 3.284 1.00 0.00 O ATOM 870 OD2 ASP A 422 -19.713 12.712 3.017 1.00 0.00 O ATOM 0 H ASP A 422 -17.077 13.315 -0.920 1.00 0.00 H new ATOM 0 HA ASP A 422 -16.359 13.441 1.791 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -18.455 14.337 0.654 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -19.062 12.693 0.623 1.00 0.00 H new ATOM 875 N ARG A 423 -17.134 10.432 0.704 1.00 0.00 N ATOM 876 CA ARG A 423 -17.067 9.016 1.032 1.00 0.00 C ATOM 877 C ARG A 423 -15.658 8.667 1.518 1.00 0.00 C ATOM 878 O ARG A 423 -15.510 8.043 2.571 1.00 0.00 O ATOM 879 CB ARG A 423 -17.485 8.178 -0.187 1.00 0.00 C ATOM 880 CG ARG A 423 -17.274 6.669 0.005 1.00 0.00 C ATOM 881 CD ARG A 423 -18.236 6.035 1.012 1.00 0.00 C ATOM 882 NE ARG A 423 -17.771 4.688 1.378 1.00 0.00 N ATOM 883 CZ ARG A 423 -16.920 4.417 2.382 1.00 0.00 C ATOM 884 NH1 ARG A 423 -16.363 5.402 3.100 1.00 0.00 N ATOM 885 NH2 ARG A 423 -16.611 3.150 2.672 1.00 0.00 N ATOM 0 H ARG A 423 -17.395 10.618 -0.264 1.00 0.00 H new ATOM 0 HA ARG A 423 -17.761 8.785 1.840 1.00 0.00 H new ATOM 0 HB2 ARG A 423 -18.537 8.365 -0.403 1.00 0.00 H new ATOM 0 HB3 ARG A 423 -16.917 8.508 -1.057 1.00 0.00 H new ATOM 0 HG2 ARG A 423 -17.389 6.170 -0.957 1.00 0.00 H new ATOM 0 HG3 ARG A 423 -16.250 6.494 0.335 1.00 0.00 H new ATOM 0 HD2 ARG A 423 -18.305 6.659 1.903 1.00 0.00 H new ATOM 0 HD3 ARG A 423 -19.237 5.979 0.584 1.00 0.00 H new ATOM 0 HE ARG A 423 -18.120 3.902 0.829 1.00 0.00 H new ATOM 0 HH11 ARG A 423 -16.583 6.375 2.888 1.00 0.00 H new ATOM 0 HH12 ARG A 423 -15.719 5.179 3.859 1.00 0.00 H new ATOM 0 HH21 ARG A 423 -17.021 2.388 2.131 1.00 0.00 H new ATOM 0 HH22 ARG A 423 -15.965 2.944 3.434 1.00 0.00 H new ATOM 899 N TRP A 424 -14.629 9.066 0.757 1.00 0.00 N ATOM 900 CA TRP A 424 -13.240 8.802 1.115 1.00 0.00 C ATOM 901 C TRP A 424 -12.852 9.572 2.380 1.00 0.00 C ATOM 902 O TRP A 424 -12.227 9.015 3.282 1.00 0.00 O ATOM 903 CB TRP A 424 -12.316 9.171 -0.045 1.00 0.00 C ATOM 904 CG TRP A 424 -10.867 8.913 0.230 1.00 0.00 C ATOM 905 CD1 TRP A 424 -9.924 9.862 0.412 1.00 0.00 C ATOM 906 CD2 TRP A 424 -10.175 7.635 0.361 1.00 0.00 C ATOM 907 NE1 TRP A 424 -8.701 9.271 0.643 1.00 0.00 N ATOM 908 CE2 TRP A 424 -8.798 7.895 0.624 1.00 0.00 C ATOM 909 CE3 TRP A 424 -10.568 6.280 0.285 1.00 0.00 C ATOM 910 CZ2 TRP A 424 -7.859 6.867 0.798 1.00 0.00 C ATOM 911 CZ3 TRP A 424 -9.636 5.241 0.459 1.00 0.00 C ATOM 912 CH2 TRP A 424 -8.285 5.532 0.713 1.00 0.00 C ATOM 0 H TRP A 424 -14.741 9.578 -0.118 1.00 0.00 H new ATOM 0 HA TRP A 424 -13.131 7.737 1.320 1.00 0.00 H new ATOM 0 HB2 TRP A 424 -12.614 8.607 -0.928 1.00 0.00 H new ATOM 0 HB3 TRP A 424 -12.449 10.227 -0.281 1.00 0.00 H new ATOM 0 HD1 TRP A 424 -10.102 10.927 0.381 1.00 0.00 H new ATOM 0 HE1 TRP A 424 -7.835 9.785 0.807 1.00 0.00 H new ATOM 0 HE3 TRP A 424 -11.602 6.038 0.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 424 -6.823 7.100 0.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 424 -9.961 4.213 0.397 1.00 0.00 H new ATOM 0 HH2 TRP A 424 -7.575 4.729 0.843 1.00 0.00 H new ATOM 923 N ARG A 425 -13.233 10.854 2.441 1.00 0.00 N ATOM 924 CA ARG A 425 -12.994 11.753 3.561 1.00 0.00 C ATOM 925 C ARG A 425 -13.434 11.059 4.846 1.00 0.00 C ATOM 926 O ARG A 425 -12.641 10.922 5.772 1.00 0.00 O ATOM 927 CB ARG A 425 -13.781 13.051 3.323 1.00 0.00 C ATOM 928 CG ARG A 425 -13.862 14.044 4.494 1.00 0.00 C ATOM 929 CD ARG A 425 -15.183 14.821 4.389 1.00 0.00 C ATOM 930 NE ARG A 425 -15.274 15.884 5.399 1.00 0.00 N ATOM 931 CZ ARG A 425 -16.390 16.576 5.691 1.00 0.00 C ATOM 932 NH1 ARG A 425 -17.552 16.321 5.073 1.00 0.00 N ATOM 933 NH2 ARG A 425 -16.336 17.541 6.618 1.00 0.00 N ATOM 0 H ARG A 425 -13.736 11.305 1.677 1.00 0.00 H new ATOM 0 HA ARG A 425 -11.937 12.003 3.651 1.00 0.00 H new ATOM 0 HB2 ARG A 425 -13.335 13.566 2.472 1.00 0.00 H new ATOM 0 HB3 ARG A 425 -14.798 12.783 3.036 1.00 0.00 H new ATOM 0 HG2 ARG A 425 -13.810 13.513 5.444 1.00 0.00 H new ATOM 0 HG3 ARG A 425 -13.016 14.731 4.466 1.00 0.00 H new ATOM 0 HD2 ARG A 425 -15.270 15.257 3.394 1.00 0.00 H new ATOM 0 HD3 ARG A 425 -16.020 14.133 4.509 1.00 0.00 H new ATOM 0 HE ARG A 425 -14.427 16.115 5.918 1.00 0.00 H new ATOM 0 HH11 ARG A 425 -17.603 15.589 4.365 1.00 0.00 H new ATOM 0 HH12 ARG A 425 -18.385 16.859 5.311 1.00 0.00 H new ATOM 0 HH21 ARG A 425 -15.456 17.743 7.093 1.00 0.00 H new ATOM 0 HH22 ARG A 425 -17.175 18.074 6.849 1.00 0.00 H new ATOM 947 N THR A 426 -14.694 10.617 4.889 1.00 0.00 N ATOM 948 CA THR A 426 -15.274 9.929 6.031 1.00 0.00 C ATOM 949 C THR A 426 -14.427 8.717 6.425 1.00 0.00 C ATOM 950 O THR A 426 -14.136 8.531 7.603 1.00 0.00 O ATOM 951 CB THR A 426 -16.728 9.546 5.714 1.00 0.00 C ATOM 952 OG1 THR A 426 -17.459 10.710 5.393 1.00 0.00 O ATOM 953 CG2 THR A 426 -17.408 8.875 6.912 1.00 0.00 C ATOM 0 H THR A 426 -15.346 10.733 4.113 1.00 0.00 H new ATOM 0 HA THR A 426 -15.281 10.596 6.893 1.00 0.00 H new ATOM 0 HB THR A 426 -16.711 8.847 4.878 1.00 0.00 H new ATOM 0 HG1 THR A 426 -17.281 10.962 4.463 1.00 0.00 H new ATOM 0 HG21 THR A 426 -18.435 8.618 6.651 1.00 0.00 H new ATOM 0 HG22 THR A 426 -16.864 7.969 7.179 1.00 0.00 H new ATOM 0 HG23 THR A 426 -17.410 9.560 7.760 1.00 0.00 H new ATOM 961 N MET A 427 -14.026 7.898 5.444 1.00 0.00 N ATOM 962 CA MET A 427 -13.216 6.709 5.672 1.00 0.00 C ATOM 963 C MET A 427 -11.907 7.054 6.399 1.00 0.00 C ATOM 964 O MET A 427 -11.549 6.403 7.382 1.00 0.00 O ATOM 965 CB MET A 427 -12.947 6.023 4.325 1.00 0.00 C ATOM 966 CG MET A 427 -12.586 4.544 4.473 1.00 0.00 C ATOM 967 SD MET A 427 -13.929 3.470 5.035 1.00 0.00 S ATOM 968 CE MET A 427 -13.195 1.865 4.629 1.00 0.00 C ATOM 0 H MET A 427 -14.260 8.049 4.463 1.00 0.00 H new ATOM 0 HA MET A 427 -13.761 6.022 6.320 1.00 0.00 H new ATOM 0 HB2 MET A 427 -13.830 6.115 3.693 1.00 0.00 H new ATOM 0 HB3 MET A 427 -12.135 6.541 3.815 1.00 0.00 H new ATOM 0 HG2 MET A 427 -12.228 4.177 3.511 1.00 0.00 H new ATOM 0 HG3 MET A 427 -11.757 4.458 5.175 1.00 0.00 H new ATOM 0 HE1 MET A 427 -13.885 1.069 4.907 1.00 0.00 H new ATOM 0 HE2 MET A 427 -12.996 1.816 3.558 1.00 0.00 H new ATOM 0 HE3 MET A 427 -12.261 1.743 5.177 1.00 0.00 H new ATOM 978 N LYS A 428 -11.198 8.082 5.915 1.00 0.00 N ATOM 979 CA LYS A 428 -9.940 8.513 6.513 1.00 0.00 C ATOM 980 C LYS A 428 -10.183 9.144 7.892 1.00 0.00 C ATOM 981 O LYS A 428 -9.403 8.917 8.812 1.00 0.00 O ATOM 982 CB LYS A 428 -9.134 9.394 5.535 1.00 0.00 C ATOM 983 CG LYS A 428 -9.124 10.904 5.832 1.00 0.00 C ATOM 984 CD LYS A 428 -8.195 11.669 4.878 1.00 0.00 C ATOM 985 CE LYS A 428 -8.843 11.939 3.515 1.00 0.00 C ATOM 986 NZ LYS A 428 -7.903 12.600 2.591 1.00 0.00 N ATOM 0 H LYS A 428 -11.482 8.631 5.104 1.00 0.00 H new ATOM 0 HA LYS A 428 -9.308 7.644 6.698 1.00 0.00 H new ATOM 0 HB2 LYS A 428 -8.103 9.040 5.525 1.00 0.00 H new ATOM 0 HB3 LYS A 428 -9.532 9.245 4.531 1.00 0.00 H new ATOM 0 HG2 LYS A 428 -10.137 11.298 5.746 1.00 0.00 H new ATOM 0 HG3 LYS A 428 -8.804 11.070 6.861 1.00 0.00 H new ATOM 0 HD2 LYS A 428 -7.911 12.617 5.335 1.00 0.00 H new ATOM 0 HD3 LYS A 428 -7.278 11.098 4.734 1.00 0.00 H new ATOM 0 HE2 LYS A 428 -9.182 10.999 3.080 1.00 0.00 H new ATOM 0 HE3 LYS A 428 -9.725 12.565 3.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 -8.424 12.965 1.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 -7.432 13.388 3.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 -7.189 11.914 2.272 1.00 0.00 H new ATOM 1000 N LYS A 429 -11.262 9.928 8.040 1.00 0.00 N ATOM 1001 CA LYS A 429 -11.639 10.596 9.286 1.00 0.00 C ATOM 1002 C LYS A 429 -11.887 9.548 10.376 1.00 0.00 C ATOM 1003 O LYS A 429 -11.411 9.689 11.503 1.00 0.00 O ATOM 1004 CB LYS A 429 -12.879 11.482 9.049 1.00 0.00 C ATOM 1005 CG LYS A 429 -13.025 12.695 9.987 1.00 0.00 C ATOM 1006 CD LYS A 429 -12.870 12.428 11.491 1.00 0.00 C ATOM 1007 CE LYS A 429 -13.907 11.441 12.050 1.00 0.00 C ATOM 1008 NZ LYS A 429 -13.375 10.719 13.220 1.00 0.00 N ATOM 0 H LYS A 429 -11.910 10.117 7.275 1.00 0.00 H new ATOM 0 HA LYS A 429 -10.829 11.243 9.622 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -12.853 11.843 8.021 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -13.770 10.861 9.147 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -12.285 13.441 9.696 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -14.007 13.138 9.820 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -11.870 12.038 11.681 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -12.952 13.372 12.030 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -14.812 11.980 12.332 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -14.189 10.728 11.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -14.101 10.072 13.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -12.535 10.174 12.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -13.113 11.402 13.960 1.00 0.00 H new