USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=16 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 398 TYR OH : rot 180:sc= 0.738 USER MOD Set 1.2: A 405 LYS NZ :NH3+ 162:sc= 1.29 (180deg=0) USER MOD Set 1.3: A 409 HIS : no HE2:sc= 0.974 K(o=3,f=-8.6!) USER MOD Set 2.1: A 393 SER OG : rot -160:sc= 0.91 USER MOD Set 2.2: A 397 LYS NZ :NH3+ 159:sc= 1.06 (180deg=0) USER MOD Single : A 389 LYS NZ :NH3+ 166:sc= 0.0753 (180deg=0.0398) USER MOD Single : A 390 ASN : amide:sc= -3.06! K(o=-3.1!,f=-0.76) USER MOD Single : A 402 ASN : amide:sc= 0.415 X(o=0.42,f=0) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 410 TYR OH : rot 180:sc= 0 USER MOD Single : A 411 LYS NZ :NH3+ 165:sc= 0.319 (180deg=-0.336) USER MOD Single : A 413 ASN : amide:sc= 0.815 K(o=0.82,f=-0.012) USER MOD Single : A 414 ASN : amide:sc= 0.565 K(o=0.57,f=-0.012) USER MOD Single : A 416 THR OG1 : rot 180:sc= 0.346 USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 419 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 421 LYS NZ :NH3+ -179:sc= 0.741 (180deg=0.733) USER MOD Single : A 426 THR OG1 : rot 70:sc= 0.988 USER MOD Single : A 427 MET CE :methyl -179:sc= 0 (180deg=-0.00335) USER MOD Single : A 428 LYS NZ :NH3+ -174:sc= 1.24 (180deg=1.18) USER MOD Single : A 429 LYS NZ :NH3+ 144:sc= -0.06 (180deg=-1.04) USER MOD ----------------------------------------------------------------- ATOM 186 N TRP A 383 -24.096 3.457 -1.879 1.00 0.00 N ATOM 187 CA TRP A 383 -22.714 3.007 -1.740 1.00 0.00 C ATOM 188 C TRP A 383 -22.614 1.490 -1.581 1.00 0.00 C ATOM 189 O TRP A 383 -22.429 0.984 -0.475 1.00 0.00 O ATOM 190 CB TRP A 383 -21.976 3.752 -0.615 1.00 0.00 C ATOM 191 CG TRP A 383 -21.507 5.121 -0.988 1.00 0.00 C ATOM 192 CD1 TRP A 383 -22.017 6.292 -0.557 1.00 0.00 C ATOM 193 CD2 TRP A 383 -20.413 5.469 -1.882 1.00 0.00 C ATOM 194 NE1 TRP A 383 -21.325 7.341 -1.127 1.00 0.00 N ATOM 195 CE2 TRP A 383 -20.320 6.887 -1.961 1.00 0.00 C ATOM 196 CE3 TRP A 383 -19.487 4.720 -2.636 1.00 0.00 C ATOM 197 CZ2 TRP A 383 -19.357 7.529 -2.757 1.00 0.00 C ATOM 198 CZ3 TRP A 383 -18.519 5.352 -3.436 1.00 0.00 C ATOM 199 CH2 TRP A 383 -18.455 6.753 -3.500 1.00 0.00 C ATOM 0 HA TRP A 383 -22.209 3.259 -2.672 1.00 0.00 H new ATOM 0 HB2 TRP A 383 -22.637 3.830 0.248 1.00 0.00 H new ATOM 0 HB3 TRP A 383 -21.116 3.158 -0.305 1.00 0.00 H new ATOM 0 HD1 TRP A 383 -22.843 6.394 0.131 1.00 0.00 H new ATOM 0 HE1 TRP A 383 -21.529 8.326 -0.955 1.00 0.00 H new ATOM 0 HE3 TRP A 383 -19.522 3.641 -2.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 383 -19.312 8.607 -2.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 383 -17.820 4.756 -4.005 1.00 0.00 H new ATOM 0 HH2 TRP A 383 -17.712 7.233 -4.120 1.00 0.00 H new ATOM 210 N LEU A 384 -22.719 0.764 -2.698 1.00 0.00 N ATOM 211 CA LEU A 384 -22.605 -0.685 -2.681 1.00 0.00 C ATOM 212 C LEU A 384 -21.141 -1.095 -2.483 1.00 0.00 C ATOM 213 O LEU A 384 -20.226 -0.282 -2.618 1.00 0.00 O ATOM 214 CB LEU A 384 -23.162 -1.278 -3.981 1.00 0.00 C ATOM 215 CG LEU A 384 -24.623 -0.894 -4.268 1.00 0.00 C ATOM 216 CD1 LEU A 384 -25.065 -1.597 -5.555 1.00 0.00 C ATOM 217 CD2 LEU A 384 -25.566 -1.290 -3.123 1.00 0.00 C ATOM 0 H LEU A 384 -22.883 1.163 -3.622 1.00 0.00 H new ATOM 0 HA LEU A 384 -23.190 -1.076 -1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 384 -22.540 -0.949 -4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 384 -23.085 -2.364 -3.935 1.00 0.00 H new ATOM 0 HG LEU A 384 -24.676 0.190 -4.371 1.00 0.00 H new ATOM 0 HD11 LEU A 384 -26.100 -1.336 -5.775 1.00 0.00 H new ATOM 0 HD12 LEU A 384 -24.428 -1.280 -6.380 1.00 0.00 H new ATOM 0 HD13 LEU A 384 -24.982 -2.676 -5.427 1.00 0.00 H new ATOM 0 HD21 LEU A 384 -26.586 -0.998 -3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 384 -25.524 -2.369 -2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 384 -25.259 -0.785 -2.207 1.00 0.00 H new ATOM 229 N TRP A 385 -20.921 -2.377 -2.170 1.00 0.00 N ATOM 230 CA TRP A 385 -19.594 -2.939 -1.961 1.00 0.00 C ATOM 231 C TRP A 385 -18.686 -2.647 -3.159 1.00 0.00 C ATOM 232 O TRP A 385 -17.518 -2.300 -2.983 1.00 0.00 O ATOM 233 CB TRP A 385 -19.707 -4.441 -1.669 1.00 0.00 C ATOM 234 CG TRP A 385 -20.412 -5.270 -2.703 1.00 0.00 C ATOM 235 CD1 TRP A 385 -21.716 -5.624 -2.672 1.00 0.00 C ATOM 236 CD2 TRP A 385 -19.872 -5.857 -3.923 1.00 0.00 C ATOM 237 NE1 TRP A 385 -22.025 -6.385 -3.783 1.00 0.00 N ATOM 238 CE2 TRP A 385 -20.919 -6.559 -4.590 1.00 0.00 C ATOM 239 CE3 TRP A 385 -18.601 -5.867 -4.538 1.00 0.00 C ATOM 240 CZ2 TRP A 385 -20.714 -7.234 -5.802 1.00 0.00 C ATOM 241 CZ3 TRP A 385 -18.384 -6.539 -5.754 1.00 0.00 C ATOM 242 CH2 TRP A 385 -19.437 -7.222 -6.387 1.00 0.00 C ATOM 0 H TRP A 385 -21.673 -3.057 -2.055 1.00 0.00 H new ATOM 0 HA TRP A 385 -19.132 -2.465 -1.095 1.00 0.00 H new ATOM 0 HB2 TRP A 385 -18.701 -4.840 -1.538 1.00 0.00 H new ATOM 0 HB3 TRP A 385 -20.226 -4.566 -0.719 1.00 0.00 H new ATOM 0 HD1 TRP A 385 -22.414 -5.352 -1.894 1.00 0.00 H new ATOM 0 HE1 TRP A 385 -22.949 -6.768 -3.981 1.00 0.00 H new ATOM 0 HE3 TRP A 385 -17.780 -5.349 -4.065 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 -21.529 -7.757 -6.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 -17.402 -6.530 -6.204 1.00 0.00 H new ATOM 0 HH2 TRP A 385 -19.265 -7.736 -7.321 1.00 0.00 H new ATOM 253 N GLU A 386 -19.231 -2.773 -4.377 1.00 0.00 N ATOM 254 CA GLU A 386 -18.496 -2.506 -5.602 1.00 0.00 C ATOM 255 C GLU A 386 -18.019 -1.055 -5.597 1.00 0.00 C ATOM 256 O GLU A 386 -16.856 -0.797 -5.884 1.00 0.00 O ATOM 257 CB GLU A 386 -19.366 -2.808 -6.831 1.00 0.00 C ATOM 258 CG GLU A 386 -18.532 -2.692 -8.115 1.00 0.00 C ATOM 259 CD GLU A 386 -19.367 -2.881 -9.376 1.00 0.00 C ATOM 260 OE1 GLU A 386 -20.323 -2.101 -9.564 1.00 0.00 O ATOM 261 OE2 GLU A 386 -19.011 -3.766 -10.185 1.00 0.00 O ATOM 0 H GLU A 386 -20.196 -3.064 -4.531 1.00 0.00 H new ATOM 0 HA GLU A 386 -17.625 -3.159 -5.655 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -19.785 -3.811 -6.751 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -20.205 -2.114 -6.870 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -18.052 -1.714 -8.145 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -17.736 -3.437 -8.096 1.00 0.00 H new ATOM 268 N GLU A 387 -18.912 -0.115 -5.265 1.00 0.00 N ATOM 269 CA GLU A 387 -18.596 1.302 -5.216 1.00 0.00 C ATOM 270 C GLU A 387 -17.473 1.586 -4.214 1.00 0.00 C ATOM 271 O GLU A 387 -16.581 2.374 -4.512 1.00 0.00 O ATOM 272 CB GLU A 387 -19.837 2.126 -4.878 1.00 0.00 C ATOM 273 CG GLU A 387 -20.969 1.967 -5.892 1.00 0.00 C ATOM 274 CD GLU A 387 -22.145 2.849 -5.505 1.00 0.00 C ATOM 275 OE1 GLU A 387 -21.925 4.051 -5.234 1.00 0.00 O ATOM 276 OE2 GLU A 387 -23.277 2.322 -5.492 1.00 0.00 O ATOM 0 H GLU A 387 -19.880 -0.327 -5.022 1.00 0.00 H new ATOM 0 HA GLU A 387 -18.247 1.597 -6.206 1.00 0.00 H new ATOM 0 HB2 GLU A 387 -20.199 1.835 -3.892 1.00 0.00 H new ATOM 0 HB3 GLU A 387 -19.559 3.178 -4.817 1.00 0.00 H new ATOM 0 HG2 GLU A 387 -20.616 2.235 -6.888 1.00 0.00 H new ATOM 0 HG3 GLU A 387 -21.285 0.925 -5.935 1.00 0.00 H new ATOM 283 N ASP A 388 -17.498 0.954 -3.034 1.00 0.00 N ATOM 284 CA ASP A 388 -16.453 1.153 -2.032 1.00 0.00 C ATOM 285 C ASP A 388 -15.103 0.672 -2.564 1.00 0.00 C ATOM 286 O ASP A 388 -14.111 1.400 -2.486 1.00 0.00 O ATOM 287 CB ASP A 388 -16.807 0.441 -0.719 1.00 0.00 C ATOM 288 CG ASP A 388 -17.572 1.364 0.218 1.00 0.00 C ATOM 289 OD1 ASP A 388 -16.952 2.347 0.680 1.00 0.00 O ATOM 290 OD2 ASP A 388 -18.758 1.081 0.481 1.00 0.00 O ATOM 0 H ASP A 388 -18.231 0.302 -2.754 1.00 0.00 H new ATOM 0 HA ASP A 388 -16.380 2.220 -1.824 1.00 0.00 H new ATOM 0 HB2 ASP A 388 -17.407 -0.444 -0.932 1.00 0.00 H new ATOM 0 HB3 ASP A 388 -15.895 0.098 -0.231 1.00 0.00 H new ATOM 295 N LYS A 389 -15.063 -0.552 -3.107 1.00 0.00 N ATOM 296 CA LYS A 389 -13.848 -1.121 -3.679 1.00 0.00 C ATOM 297 C LYS A 389 -13.332 -0.198 -4.785 1.00 0.00 C ATOM 298 O LYS A 389 -12.154 0.148 -4.812 1.00 0.00 O ATOM 299 CB LYS A 389 -14.124 -2.518 -4.250 1.00 0.00 C ATOM 300 CG LYS A 389 -14.400 -3.561 -3.162 1.00 0.00 C ATOM 301 CD LYS A 389 -14.740 -4.905 -3.818 1.00 0.00 C ATOM 302 CE LYS A 389 -15.148 -5.943 -2.765 1.00 0.00 C ATOM 303 NZ LYS A 389 -15.509 -7.234 -3.382 1.00 0.00 N ATOM 0 H LYS A 389 -15.873 -1.170 -3.159 1.00 0.00 H new ATOM 0 HA LYS A 389 -13.095 -1.213 -2.896 1.00 0.00 H new ATOM 0 HB2 LYS A 389 -14.979 -2.468 -4.924 1.00 0.00 H new ATOM 0 HB3 LYS A 389 -13.268 -2.838 -4.845 1.00 0.00 H new ATOM 0 HG2 LYS A 389 -13.528 -3.669 -2.517 1.00 0.00 H new ATOM 0 HG3 LYS A 389 -15.225 -3.233 -2.530 1.00 0.00 H new ATOM 0 HD2 LYS A 389 -15.551 -4.770 -4.534 1.00 0.00 H new ATOM 0 HD3 LYS A 389 -13.878 -5.269 -4.378 1.00 0.00 H new ATOM 0 HE2 LYS A 389 -14.327 -6.092 -2.064 1.00 0.00 H new ATOM 0 HE3 LYS A 389 -15.994 -5.565 -2.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 -15.548 -7.970 -2.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 -16.439 -7.152 -3.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 -14.795 -7.491 -4.093 1.00 0.00 H new ATOM 317 N ASN A 390 -14.234 0.195 -5.687 1.00 0.00 N ATOM 318 CA ASN A 390 -13.985 1.072 -6.819 1.00 0.00 C ATOM 319 C ASN A 390 -13.361 2.388 -6.356 1.00 0.00 C ATOM 320 O ASN A 390 -12.308 2.756 -6.868 1.00 0.00 O ATOM 321 CB ASN A 390 -15.311 1.283 -7.567 1.00 0.00 C ATOM 322 CG ASN A 390 -15.305 2.318 -8.691 1.00 0.00 C ATOM 323 OD1 ASN A 390 -16.361 2.616 -9.239 1.00 0.00 O ATOM 324 ND2 ASN A 390 -14.151 2.874 -9.060 1.00 0.00 N ATOM 0 H ASN A 390 -15.206 -0.109 -5.639 1.00 0.00 H new ATOM 0 HA ASN A 390 -13.267 0.619 -7.502 1.00 0.00 H new ATOM 0 HB2 ASN A 390 -15.621 0.326 -7.987 1.00 0.00 H new ATOM 0 HB3 ASN A 390 -16.070 1.574 -6.840 1.00 0.00 H new ATOM 0 HD21 ASN A 390 -14.134 3.563 -9.812 1.00 0.00 H new ATOM 0 HD22 ASN A 390 -13.285 2.611 -8.590 1.00 0.00 H new ATOM 331 N LEU A 391 -13.998 3.093 -5.418 1.00 0.00 N ATOM 332 CA LEU A 391 -13.521 4.366 -4.896 1.00 0.00 C ATOM 333 C LEU A 391 -12.109 4.216 -4.347 1.00 0.00 C ATOM 334 O LEU A 391 -11.200 4.937 -4.753 1.00 0.00 O ATOM 335 CB LEU A 391 -14.488 4.862 -3.813 1.00 0.00 C ATOM 336 CG LEU A 391 -14.003 6.128 -3.091 1.00 0.00 C ATOM 337 CD1 LEU A 391 -13.850 7.303 -4.062 1.00 0.00 C ATOM 338 CD2 LEU A 391 -14.996 6.482 -1.981 1.00 0.00 C ATOM 0 H LEU A 391 -14.874 2.786 -4.996 1.00 0.00 H new ATOM 0 HA LEU A 391 -13.487 5.102 -5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 391 -15.458 5.062 -4.268 1.00 0.00 H new ATOM 0 HB3 LEU A 391 -14.637 4.070 -3.080 1.00 0.00 H new ATOM 0 HG LEU A 391 -13.021 5.930 -2.661 1.00 0.00 H new ATOM 0 HD11 LEU A 391 -13.505 8.182 -3.518 1.00 0.00 H new ATOM 0 HD12 LEU A 391 -13.124 7.046 -4.833 1.00 0.00 H new ATOM 0 HD13 LEU A 391 -14.812 7.518 -4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 391 -14.658 7.380 -1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 391 -15.979 6.662 -2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 391 -15.058 5.657 -1.272 1.00 0.00 H new ATOM 350 N ARG A 392 -11.940 3.273 -3.420 1.00 0.00 N ATOM 351 CA ARG A 392 -10.672 2.986 -2.778 1.00 0.00 C ATOM 352 C ARG A 392 -9.585 2.727 -3.824 1.00 0.00 C ATOM 353 O ARG A 392 -8.515 3.332 -3.771 1.00 0.00 O ATOM 354 CB ARG A 392 -10.916 1.823 -1.817 1.00 0.00 C ATOM 355 CG ARG A 392 -9.702 1.407 -0.982 1.00 0.00 C ATOM 356 CD ARG A 392 -10.165 0.752 0.329 1.00 0.00 C ATOM 357 NE ARG A 392 -11.165 -0.309 0.106 1.00 0.00 N ATOM 358 CZ ARG A 392 -12.504 -0.210 0.249 1.00 0.00 C ATOM 359 NH1 ARG A 392 -13.088 0.926 0.661 1.00 0.00 N ATOM 360 NH2 ARG A 392 -13.268 -1.273 -0.028 1.00 0.00 N ATOM 0 H ARG A 392 -12.702 2.679 -3.093 1.00 0.00 H new ATOM 0 HA ARG A 392 -10.297 3.833 -2.203 1.00 0.00 H new ATOM 0 HB2 ARG A 392 -11.727 2.094 -1.141 1.00 0.00 H new ATOM 0 HB3 ARG A 392 -11.255 0.961 -2.392 1.00 0.00 H new ATOM 0 HG2 ARG A 392 -9.083 0.710 -1.547 1.00 0.00 H new ATOM 0 HG3 ARG A 392 -9.084 2.278 -0.764 1.00 0.00 H new ATOM 0 HD2 ARG A 392 -9.302 0.331 0.846 1.00 0.00 H new ATOM 0 HD3 ARG A 392 -10.588 1.514 0.983 1.00 0.00 H new ATOM 0 HE ARG A 392 -10.806 -1.217 -0.189 1.00 0.00 H new ATOM 0 HH11 ARG A 392 -12.518 1.744 0.875 1.00 0.00 H new ATOM 0 HH12 ARG A 392 -14.102 0.971 0.760 1.00 0.00 H new ATOM 0 HH21 ARG A 392 -12.837 -2.143 -0.342 1.00 0.00 H new ATOM 0 HH22 ARG A 392 -14.281 -1.214 0.075 1.00 0.00 H new ATOM 374 N SER A 393 -9.864 1.844 -4.787 1.00 0.00 N ATOM 375 CA SER A 393 -8.931 1.526 -5.858 1.00 0.00 C ATOM 376 C SER A 393 -8.607 2.790 -6.660 1.00 0.00 C ATOM 377 O SER A 393 -7.444 3.061 -6.942 1.00 0.00 O ATOM 378 CB SER A 393 -9.491 0.407 -6.748 1.00 0.00 C ATOM 379 OG SER A 393 -8.424 -0.305 -7.343 1.00 0.00 O ATOM 0 H SER A 393 -10.745 1.332 -4.841 1.00 0.00 H new ATOM 0 HA SER A 393 -8.000 1.157 -5.427 1.00 0.00 H new ATOM 0 HB2 SER A 393 -10.107 -0.269 -6.155 1.00 0.00 H new ATOM 0 HB3 SER A 393 -10.134 0.830 -7.520 1.00 0.00 H new ATOM 0 HG SER A 393 -8.752 -0.789 -8.130 1.00 0.00 H new ATOM 385 N GLY A 394 -9.640 3.567 -7.005 1.00 0.00 N ATOM 386 CA GLY A 394 -9.538 4.810 -7.746 1.00 0.00 C ATOM 387 C GLY A 394 -8.555 5.761 -7.075 1.00 0.00 C ATOM 388 O GLY A 394 -7.648 6.265 -7.732 1.00 0.00 O ATOM 0 H GLY A 394 -10.602 3.330 -6.762 1.00 0.00 H new ATOM 0 HA2 GLY A 394 -9.214 4.605 -8.766 1.00 0.00 H new ATOM 0 HA3 GLY A 394 -10.519 5.281 -7.812 1.00 0.00 H new ATOM 392 N VAL A 395 -8.720 5.991 -5.769 1.00 0.00 N ATOM 393 CA VAL A 395 -7.826 6.855 -5.013 1.00 0.00 C ATOM 394 C VAL A 395 -6.406 6.288 -5.071 1.00 0.00 C ATOM 395 O VAL A 395 -5.457 7.039 -5.264 1.00 0.00 O ATOM 396 CB VAL A 395 -8.329 7.055 -3.574 1.00 0.00 C ATOM 397 CG1 VAL A 395 -7.294 7.835 -2.751 1.00 0.00 C ATOM 398 CG2 VAL A 395 -9.638 7.854 -3.577 1.00 0.00 C ATOM 0 H VAL A 395 -9.473 5.584 -5.215 1.00 0.00 H new ATOM 0 HA VAL A 395 -7.810 7.848 -5.463 1.00 0.00 H new ATOM 0 HB VAL A 395 -8.491 6.071 -3.134 1.00 0.00 H new ATOM 0 HG11 VAL A 395 -7.664 7.969 -1.734 1.00 0.00 H new ATOM 0 HG12 VAL A 395 -6.356 7.280 -2.726 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -7.126 8.810 -3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 395 -9.984 7.989 -2.552 1.00 0.00 H new ATOM 0 HG22 VAL A 395 -9.468 8.829 -4.034 1.00 0.00 H new ATOM 0 HG23 VAL A 395 -10.393 7.313 -4.147 1.00 0.00 H new ATOM 408 N ARG A 396 -6.232 4.971 -4.931 1.00 0.00 N ATOM 409 CA ARG A 396 -4.900 4.383 -5.011 1.00 0.00 C ATOM 410 C ARG A 396 -4.293 4.530 -6.417 1.00 0.00 C ATOM 411 O ARG A 396 -3.071 4.569 -6.542 1.00 0.00 O ATOM 412 CB ARG A 396 -4.917 2.932 -4.519 1.00 0.00 C ATOM 413 CG ARG A 396 -5.240 2.893 -3.017 1.00 0.00 C ATOM 414 CD ARG A 396 -5.208 1.463 -2.467 1.00 0.00 C ATOM 415 NE ARG A 396 -3.835 0.944 -2.376 1.00 0.00 N ATOM 416 CZ ARG A 396 -2.956 1.235 -1.400 1.00 0.00 C ATOM 417 NH1 ARG A 396 -3.291 2.069 -0.406 1.00 0.00 N ATOM 418 NH2 ARG A 396 -1.735 0.687 -1.421 1.00 0.00 N ATOM 0 H ARG A 396 -6.986 4.304 -4.764 1.00 0.00 H new ATOM 0 HA ARG A 396 -4.242 4.939 -4.343 1.00 0.00 H new ATOM 0 HB2 ARG A 396 -5.659 2.359 -5.075 1.00 0.00 H new ATOM 0 HB3 ARG A 396 -3.950 2.465 -4.704 1.00 0.00 H new ATOM 0 HG2 ARG A 396 -4.522 3.508 -2.474 1.00 0.00 H new ATOM 0 HG3 ARG A 396 -6.225 3.327 -2.845 1.00 0.00 H new ATOM 0 HD2 ARG A 396 -5.671 1.443 -1.480 1.00 0.00 H new ATOM 0 HD3 ARG A 396 -5.801 0.813 -3.110 1.00 0.00 H new ATOM 0 HE ARG A 396 -3.524 0.312 -3.113 1.00 0.00 H new ATOM 0 HH11 ARG A 396 -4.220 2.490 -0.385 1.00 0.00 H new ATOM 0 HH12 ARG A 396 -2.617 2.283 0.329 1.00 0.00 H new ATOM 0 HH21 ARG A 396 -1.474 0.052 -2.175 1.00 0.00 H new ATOM 0 HH22 ARG A 396 -1.065 0.905 -0.683 1.00 0.00 H new ATOM 432 N LYS A 397 -5.120 4.626 -7.470 1.00 0.00 N ATOM 433 CA LYS A 397 -4.654 4.789 -8.844 1.00 0.00 C ATOM 434 C LYS A 397 -4.298 6.243 -9.175 1.00 0.00 C ATOM 435 O LYS A 397 -3.175 6.517 -9.592 1.00 0.00 O ATOM 436 CB LYS A 397 -5.701 4.284 -9.856 1.00 0.00 C ATOM 437 CG LYS A 397 -5.490 2.840 -10.327 1.00 0.00 C ATOM 438 CD LYS A 397 -5.898 1.797 -9.285 1.00 0.00 C ATOM 439 CE LYS A 397 -5.650 0.392 -9.841 1.00 0.00 C ATOM 440 NZ LYS A 397 -6.061 -0.652 -8.884 1.00 0.00 N ATOM 0 H LYS A 397 -6.136 4.592 -7.385 1.00 0.00 H new ATOM 0 HA LYS A 397 -3.749 4.187 -8.925 1.00 0.00 H new ATOM 0 HB2 LYS A 397 -6.690 4.364 -9.406 1.00 0.00 H new ATOM 0 HB3 LYS A 397 -5.692 4.941 -10.726 1.00 0.00 H new ATOM 0 HG2 LYS A 397 -6.063 2.675 -11.239 1.00 0.00 H new ATOM 0 HG3 LYS A 397 -4.440 2.698 -10.581 1.00 0.00 H new ATOM 0 HD2 LYS A 397 -5.327 1.942 -8.368 1.00 0.00 H new ATOM 0 HD3 LYS A 397 -6.950 1.917 -9.028 1.00 0.00 H new ATOM 0 HE2 LYS A 397 -6.199 0.267 -10.774 1.00 0.00 H new ATOM 0 HE3 LYS A 397 -4.592 0.275 -10.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 -6.219 -1.546 -9.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 -5.313 -0.785 -8.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 -6.941 -0.362 -8.411 1.00 0.00 H new ATOM 454 N TYR A 398 -5.268 7.157 -9.047 1.00 0.00 N ATOM 455 CA TYR A 398 -5.133 8.562 -9.433 1.00 0.00 C ATOM 456 C TYR A 398 -5.001 9.554 -8.275 1.00 0.00 C ATOM 457 O TYR A 398 -4.858 10.749 -8.524 1.00 0.00 O ATOM 458 CB TYR A 398 -6.331 8.923 -10.324 1.00 0.00 C ATOM 459 CG TYR A 398 -6.599 7.894 -11.411 1.00 0.00 C ATOM 460 CD1 TYR A 398 -5.888 7.937 -12.624 1.00 0.00 C ATOM 461 CD2 TYR A 398 -7.553 6.883 -11.198 1.00 0.00 C ATOM 462 CE1 TYR A 398 -6.134 6.972 -13.618 1.00 0.00 C ATOM 463 CE2 TYR A 398 -7.796 5.919 -12.188 1.00 0.00 C ATOM 464 CZ TYR A 398 -7.088 5.963 -13.399 1.00 0.00 C ATOM 465 OH TYR A 398 -7.325 5.023 -14.359 1.00 0.00 O ATOM 0 H TYR A 398 -6.186 6.933 -8.664 1.00 0.00 H new ATOM 0 HA TYR A 398 -4.186 8.655 -9.964 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -7.220 9.026 -9.702 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -6.152 9.893 -10.787 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -5.153 8.711 -12.792 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -8.101 6.848 -10.268 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -5.589 7.007 -14.550 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -8.528 5.143 -12.018 1.00 0.00 H new ATOM 0 HH TYR A 398 -8.013 4.400 -14.044 1.00 0.00 H new ATOM 475 N GLY A 399 -5.045 9.093 -7.021 1.00 0.00 N ATOM 476 CA GLY A 399 -4.935 9.964 -5.859 1.00 0.00 C ATOM 477 C GLY A 399 -6.245 10.698 -5.578 1.00 0.00 C ATOM 478 O GLY A 399 -7.180 10.666 -6.381 1.00 0.00 O ATOM 0 H GLY A 399 -5.158 8.106 -6.789 1.00 0.00 H new ATOM 0 HA2 GLY A 399 -4.654 9.374 -4.987 1.00 0.00 H new ATOM 0 HA3 GLY A 399 -4.139 10.690 -6.022 1.00 0.00 H new ATOM 482 N GLU A 400 -6.308 11.379 -4.429 1.00 0.00 N ATOM 483 CA GLU A 400 -7.473 12.159 -4.040 1.00 0.00 C ATOM 484 C GLU A 400 -7.568 13.386 -4.953 1.00 0.00 C ATOM 485 O GLU A 400 -6.640 13.680 -5.710 1.00 0.00 O ATOM 486 CB GLU A 400 -7.369 12.564 -2.561 1.00 0.00 C ATOM 487 CG GLU A 400 -7.333 11.339 -1.635 1.00 0.00 C ATOM 488 CD GLU A 400 -7.268 11.717 -0.157 1.00 0.00 C ATOM 489 OE1 GLU A 400 -7.783 12.801 0.191 1.00 0.00 O ATOM 490 OE2 GLU A 400 -6.723 10.901 0.619 1.00 0.00 O ATOM 0 H GLU A 400 -5.550 11.401 -3.747 1.00 0.00 H new ATOM 0 HA GLU A 400 -8.380 11.565 -4.151 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -6.469 13.160 -2.410 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -8.218 13.195 -2.296 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -8.220 10.730 -1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -6.469 10.724 -1.887 1.00 0.00 H new ATOM 497 N GLY A 401 -8.692 14.109 -4.910 1.00 0.00 N ATOM 498 CA GLY A 401 -8.894 15.292 -5.739 1.00 0.00 C ATOM 499 C GLY A 401 -9.290 14.935 -7.173 1.00 0.00 C ATOM 500 O GLY A 401 -10.165 15.580 -7.748 1.00 0.00 O ATOM 0 H GLY A 401 -9.481 13.889 -4.302 1.00 0.00 H new ATOM 0 HA2 GLY A 401 -9.669 15.916 -5.295 1.00 0.00 H new ATOM 0 HA3 GLY A 401 -7.978 15.883 -5.754 1.00 0.00 H new ATOM 504 N ASN A 402 -8.655 13.909 -7.752 1.00 0.00 N ATOM 505 CA ASN A 402 -8.871 13.412 -9.108 1.00 0.00 C ATOM 506 C ASN A 402 -10.166 12.591 -9.200 1.00 0.00 C ATOM 507 O ASN A 402 -10.191 11.495 -9.759 1.00 0.00 O ATOM 508 CB ASN A 402 -7.639 12.591 -9.523 1.00 0.00 C ATOM 509 CG ASN A 402 -6.375 13.446 -9.633 1.00 0.00 C ATOM 510 OD1 ASN A 402 -5.993 13.834 -10.733 1.00 0.00 O ATOM 511 ND2 ASN A 402 -5.719 13.751 -8.511 1.00 0.00 N ATOM 0 H ASN A 402 -7.939 13.377 -7.257 1.00 0.00 H new ATOM 0 HA ASN A 402 -8.993 14.249 -9.796 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -7.474 11.796 -8.795 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -7.833 12.110 -10.482 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -4.875 14.322 -8.553 1.00 0.00 H new ATOM 0 HD22 ASN A 402 -6.062 13.413 -7.612 1.00 0.00 H new ATOM 518 N TRP A 403 -11.256 13.131 -8.649 1.00 0.00 N ATOM 519 CA TRP A 403 -12.566 12.504 -8.619 1.00 0.00 C ATOM 520 C TRP A 403 -13.142 12.362 -10.023 1.00 0.00 C ATOM 521 O TRP A 403 -13.700 11.321 -10.348 1.00 0.00 O ATOM 522 CB TRP A 403 -13.492 13.325 -7.722 1.00 0.00 C ATOM 523 CG TRP A 403 -12.914 13.691 -6.389 1.00 0.00 C ATOM 524 CD1 TRP A 403 -12.701 14.953 -5.958 1.00 0.00 C ATOM 525 CD2 TRP A 403 -12.460 12.818 -5.310 1.00 0.00 C ATOM 526 NE1 TRP A 403 -12.157 14.930 -4.693 1.00 0.00 N ATOM 527 CE2 TRP A 403 -11.991 13.639 -4.243 1.00 0.00 C ATOM 528 CE3 TRP A 403 -12.395 11.422 -5.114 1.00 0.00 C ATOM 529 CZ2 TRP A 403 -11.495 13.109 -3.044 1.00 0.00 C ATOM 530 CZ3 TRP A 403 -11.890 10.877 -3.917 1.00 0.00 C ATOM 531 CH2 TRP A 403 -11.443 11.716 -2.881 1.00 0.00 C ATOM 0 H TRP A 403 -11.243 14.046 -8.199 1.00 0.00 H new ATOM 0 HA TRP A 403 -12.472 11.498 -8.211 1.00 0.00 H new ATOM 0 HB2 TRP A 403 -13.766 14.240 -8.247 1.00 0.00 H new ATOM 0 HB3 TRP A 403 -14.412 12.762 -7.561 1.00 0.00 H new ATOM 0 HD1 TRP A 403 -12.924 15.847 -6.521 1.00 0.00 H new ATOM 0 HE1 TRP A 403 -11.909 15.762 -4.158 1.00 0.00 H new ATOM 0 HE3 TRP A 403 -12.738 10.760 -5.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 403 -11.157 13.765 -2.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 403 -11.846 9.805 -3.794 1.00 0.00 H new ATOM 0 HH2 TRP A 403 -11.062 11.291 -1.964 1.00 0.00 H new ATOM 542 N SER A 404 -13.001 13.401 -10.854 1.00 0.00 N ATOM 543 CA SER A 404 -13.488 13.395 -12.228 1.00 0.00 C ATOM 544 C SER A 404 -12.857 12.229 -12.996 1.00 0.00 C ATOM 545 O SER A 404 -13.554 11.479 -13.673 1.00 0.00 O ATOM 546 CB SER A 404 -13.180 14.744 -12.887 1.00 0.00 C ATOM 547 OG SER A 404 -13.674 14.772 -14.210 1.00 0.00 O ATOM 0 H SER A 404 -12.543 14.272 -10.586 1.00 0.00 H new ATOM 0 HA SER A 404 -14.569 13.254 -12.241 1.00 0.00 H new ATOM 0 HB2 SER A 404 -13.630 15.550 -12.307 1.00 0.00 H new ATOM 0 HB3 SER A 404 -12.104 14.916 -12.891 1.00 0.00 H new ATOM 0 HG SER A 404 -13.471 15.640 -14.617 1.00 0.00 H new ATOM 553 N LYS A 405 -11.535 12.077 -12.872 1.00 0.00 N ATOM 554 CA LYS A 405 -10.771 11.017 -13.511 1.00 0.00 C ATOM 555 C LYS A 405 -11.269 9.650 -13.033 1.00 0.00 C ATOM 556 O LYS A 405 -11.552 8.774 -13.851 1.00 0.00 O ATOM 557 CB LYS A 405 -9.286 11.258 -13.199 1.00 0.00 C ATOM 558 CG LYS A 405 -8.324 10.156 -13.656 1.00 0.00 C ATOM 559 CD LYS A 405 -8.439 9.775 -15.134 1.00 0.00 C ATOM 560 CE LYS A 405 -8.307 10.962 -16.097 1.00 0.00 C ATOM 561 NZ LYS A 405 -8.319 10.515 -17.503 1.00 0.00 N ATOM 0 H LYS A 405 -10.959 12.705 -12.311 1.00 0.00 H new ATOM 0 HA LYS A 405 -10.903 11.025 -14.593 1.00 0.00 H new ATOM 0 HB2 LYS A 405 -8.983 12.196 -13.665 1.00 0.00 H new ATOM 0 HB3 LYS A 405 -9.176 11.387 -12.122 1.00 0.00 H new ATOM 0 HG2 LYS A 405 -7.302 10.480 -13.457 1.00 0.00 H new ATOM 0 HG3 LYS A 405 -8.500 9.266 -13.051 1.00 0.00 H new ATOM 0 HD2 LYS A 405 -7.668 9.041 -15.370 1.00 0.00 H new ATOM 0 HD3 LYS A 405 -9.401 9.291 -15.300 1.00 0.00 H new ATOM 0 HE2 LYS A 405 -9.125 11.662 -15.929 1.00 0.00 H new ATOM 0 HE3 LYS A 405 -7.381 11.499 -15.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 -8.534 11.322 -18.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 -7.387 10.127 -17.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 -9.044 9.780 -17.627 1.00 0.00 H new ATOM 575 N ILE A 406 -11.387 9.479 -11.711 1.00 0.00 N ATOM 576 CA ILE A 406 -11.870 8.249 -11.098 1.00 0.00 C ATOM 577 C ILE A 406 -13.253 7.896 -11.664 1.00 0.00 C ATOM 578 O ILE A 406 -13.461 6.777 -12.128 1.00 0.00 O ATOM 579 CB ILE A 406 -11.845 8.407 -9.561 1.00 0.00 C ATOM 580 CG1 ILE A 406 -10.390 8.307 -9.070 1.00 0.00 C ATOM 581 CG2 ILE A 406 -12.720 7.368 -8.849 1.00 0.00 C ATOM 582 CD1 ILE A 406 -10.201 8.761 -7.618 1.00 0.00 C ATOM 0 H ILE A 406 -11.145 10.203 -11.034 1.00 0.00 H new ATOM 0 HA ILE A 406 -11.221 7.407 -11.339 1.00 0.00 H new ATOM 0 HB ILE A 406 -12.260 9.385 -9.316 1.00 0.00 H new ATOM 0 HG12 ILE A 406 -10.053 7.275 -9.166 1.00 0.00 H new ATOM 0 HG13 ILE A 406 -9.754 8.912 -9.717 1.00 0.00 H new ATOM 0 HG21 ILE A 406 -12.666 7.524 -7.772 1.00 0.00 H new ATOM 0 HG22 ILE A 406 -13.753 7.474 -9.180 1.00 0.00 H new ATOM 0 HG23 ILE A 406 -12.363 6.366 -9.089 1.00 0.00 H new ATOM 0 HD11 ILE A 406 -9.152 8.663 -7.340 1.00 0.00 H new ATOM 0 HD12 ILE A 406 -10.507 9.803 -7.520 1.00 0.00 H new ATOM 0 HD13 ILE A 406 -10.810 8.140 -6.961 1.00 0.00 H new ATOM 594 N LEU A 407 -14.191 8.849 -11.643 1.00 0.00 N ATOM 595 CA LEU A 407 -15.542 8.676 -12.160 1.00 0.00 C ATOM 596 C LEU A 407 -15.500 8.227 -13.619 1.00 0.00 C ATOM 597 O LEU A 407 -16.089 7.207 -13.970 1.00 0.00 O ATOM 598 CB LEU A 407 -16.331 9.990 -12.026 1.00 0.00 C ATOM 599 CG LEU A 407 -16.808 10.266 -10.591 1.00 0.00 C ATOM 600 CD1 LEU A 407 -17.137 11.752 -10.414 1.00 0.00 C ATOM 601 CD2 LEU A 407 -18.065 9.448 -10.278 1.00 0.00 C ATOM 0 H LEU A 407 -14.023 9.778 -11.257 1.00 0.00 H new ATOM 0 HA LEU A 407 -16.044 7.905 -11.576 1.00 0.00 H new ATOM 0 HB2 LEU A 407 -15.705 10.818 -12.359 1.00 0.00 H new ATOM 0 HB3 LEU A 407 -17.195 9.957 -12.689 1.00 0.00 H new ATOM 0 HG LEU A 407 -16.005 9.982 -9.911 1.00 0.00 H new ATOM 0 HD11 LEU A 407 -17.473 11.931 -9.393 1.00 0.00 H new ATOM 0 HD12 LEU A 407 -16.246 12.348 -10.613 1.00 0.00 H new ATOM 0 HD13 LEU A 407 -17.926 12.035 -11.111 1.00 0.00 H new ATOM 0 HD21 LEU A 407 -18.389 9.655 -9.258 1.00 0.00 H new ATOM 0 HD22 LEU A 407 -18.859 9.720 -10.974 1.00 0.00 H new ATOM 0 HD23 LEU A 407 -17.842 8.386 -10.379 1.00 0.00 H new ATOM 613 N LEU A 408 -14.804 8.996 -14.463 1.00 0.00 N ATOM 614 CA LEU A 408 -14.667 8.742 -15.889 1.00 0.00 C ATOM 615 C LEU A 408 -14.240 7.305 -16.193 1.00 0.00 C ATOM 616 O LEU A 408 -14.745 6.701 -17.136 1.00 0.00 O ATOM 617 CB LEU A 408 -13.652 9.738 -16.487 1.00 0.00 C ATOM 618 CG LEU A 408 -13.643 9.783 -18.025 1.00 0.00 C ATOM 619 CD1 LEU A 408 -14.944 10.363 -18.596 1.00 0.00 C ATOM 620 CD2 LEU A 408 -12.468 10.652 -18.486 1.00 0.00 C ATOM 0 H LEU A 408 -14.309 9.834 -14.158 1.00 0.00 H new ATOM 0 HA LEU A 408 -15.647 8.881 -16.347 1.00 0.00 H new ATOM 0 HB2 LEU A 408 -13.872 10.736 -16.107 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -12.654 9.476 -16.137 1.00 0.00 H new ATOM 0 HG LEU A 408 -13.546 8.760 -18.390 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -14.890 10.374 -19.685 1.00 0.00 H new ATOM 0 HD12 LEU A 408 -15.786 9.747 -18.281 1.00 0.00 H new ATOM 0 HD13 LEU A 408 -15.081 11.380 -18.229 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -12.450 10.692 -19.575 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -12.583 11.660 -18.088 1.00 0.00 H new ATOM 0 HD23 LEU A 408 -11.534 10.223 -18.124 1.00 0.00 H new ATOM 632 N HIS A 409 -13.287 6.774 -15.418 1.00 0.00 N ATOM 633 CA HIS A 409 -12.725 5.450 -15.645 1.00 0.00 C ATOM 634 C HIS A 409 -13.420 4.297 -14.910 1.00 0.00 C ATOM 635 O HIS A 409 -12.900 3.184 -14.980 1.00 0.00 O ATOM 636 CB HIS A 409 -11.222 5.494 -15.318 1.00 0.00 C ATOM 637 CG HIS A 409 -10.420 6.401 -16.221 1.00 0.00 C ATOM 638 ND1 HIS A 409 -9.035 6.369 -16.259 1.00 0.00 N ATOM 639 CD2 HIS A 409 -10.774 7.371 -17.131 1.00 0.00 C ATOM 640 CE1 HIS A 409 -8.642 7.289 -17.155 1.00 0.00 C ATOM 641 NE2 HIS A 409 -9.655 7.940 -17.725 1.00 0.00 N ATOM 0 H HIS A 409 -12.887 7.258 -14.614 1.00 0.00 H new ATOM 0 HA HIS A 409 -12.896 5.219 -16.696 1.00 0.00 H new ATOM 0 HB2 HIS A 409 -11.095 5.822 -14.286 1.00 0.00 H new ATOM 0 HB3 HIS A 409 -10.817 4.484 -15.383 1.00 0.00 H new ATOM 0 HD1 HIS A 409 -8.428 5.761 -15.709 1.00 0.00 H new ATOM 0 HD2 HIS A 409 -11.792 7.654 -17.355 1.00 0.00 H new ATOM 0 HE1 HIS A 409 -7.606 7.482 -17.390 1.00 0.00 H new ATOM 649 N TYR A 410 -14.556 4.497 -14.220 1.00 0.00 N ATOM 650 CA TYR A 410 -15.206 3.388 -13.512 1.00 0.00 C ATOM 651 C TYR A 410 -16.738 3.469 -13.483 1.00 0.00 C ATOM 652 O TYR A 410 -17.336 4.505 -13.765 1.00 0.00 O ATOM 653 CB TYR A 410 -14.647 3.274 -12.092 1.00 0.00 C ATOM 654 CG TYR A 410 -13.180 2.891 -11.964 1.00 0.00 C ATOM 655 CD1 TYR A 410 -12.739 1.631 -12.408 1.00 0.00 C ATOM 656 CD2 TYR A 410 -12.256 3.785 -11.390 1.00 0.00 C ATOM 657 CE1 TYR A 410 -11.385 1.269 -12.284 1.00 0.00 C ATOM 658 CE2 TYR A 410 -10.904 3.423 -11.262 1.00 0.00 C ATOM 659 CZ TYR A 410 -10.468 2.166 -11.711 1.00 0.00 C ATOM 660 OH TYR A 410 -9.154 1.821 -11.586 1.00 0.00 O ATOM 0 H TYR A 410 -15.032 5.396 -14.139 1.00 0.00 H new ATOM 0 HA TYR A 410 -14.973 2.488 -14.081 1.00 0.00 H new ATOM 0 HB2 TYR A 410 -14.794 4.231 -11.591 1.00 0.00 H new ATOM 0 HB3 TYR A 410 -15.240 2.536 -11.551 1.00 0.00 H new ATOM 0 HD1 TYR A 410 -13.443 0.939 -12.846 1.00 0.00 H new ATOM 0 HD2 TYR A 410 -12.588 4.754 -11.046 1.00 0.00 H new ATOM 0 HE1 TYR A 410 -11.051 0.302 -12.629 1.00 0.00 H new ATOM 0 HE2 TYR A 410 -10.200 4.112 -10.818 1.00 0.00 H new ATOM 0 HH TYR A 410 -8.660 2.558 -11.170 1.00 0.00 H new ATOM 670 N LYS A 411 -17.361 2.332 -13.144 1.00 0.00 N ATOM 671 CA LYS A 411 -18.804 2.123 -13.082 1.00 0.00 C ATOM 672 C LYS A 411 -19.459 2.670 -11.808 1.00 0.00 C ATOM 673 O LYS A 411 -20.045 1.905 -11.042 1.00 0.00 O ATOM 674 CB LYS A 411 -19.098 0.617 -13.197 1.00 0.00 C ATOM 675 CG LYS A 411 -18.533 -0.031 -14.463 1.00 0.00 C ATOM 676 CD LYS A 411 -19.063 -1.459 -14.677 1.00 0.00 C ATOM 677 CE LYS A 411 -18.748 -2.434 -13.527 1.00 0.00 C ATOM 678 NZ LYS A 411 -19.754 -2.395 -12.444 1.00 0.00 N ATOM 0 H LYS A 411 -16.839 1.492 -12.893 1.00 0.00 H new ATOM 0 HA LYS A 411 -19.236 2.681 -13.913 1.00 0.00 H new ATOM 0 HB2 LYS A 411 -18.685 0.109 -12.326 1.00 0.00 H new ATOM 0 HB3 LYS A 411 -20.177 0.465 -13.173 1.00 0.00 H new ATOM 0 HG2 LYS A 411 -18.789 0.582 -15.327 1.00 0.00 H new ATOM 0 HG3 LYS A 411 -17.445 -0.056 -14.401 1.00 0.00 H new ATOM 0 HD2 LYS A 411 -20.143 -1.416 -14.815 1.00 0.00 H new ATOM 0 HD3 LYS A 411 -18.640 -1.856 -15.600 1.00 0.00 H new ATOM 0 HE2 LYS A 411 -18.688 -3.448 -13.924 1.00 0.00 H new ATOM 0 HE3 LYS A 411 -17.768 -2.195 -13.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 -19.639 -3.229 -11.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 -19.623 -1.532 -11.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 -20.709 -2.397 -12.857 1.00 0.00 H new ATOM 692 N PHE A 412 -19.405 3.984 -11.577 1.00 0.00 N ATOM 693 CA PHE A 412 -20.065 4.566 -10.413 1.00 0.00 C ATOM 694 C PHE A 412 -21.566 4.652 -10.691 1.00 0.00 C ATOM 695 O PHE A 412 -21.969 5.109 -11.759 1.00 0.00 O ATOM 696 CB PHE A 412 -19.490 5.943 -10.088 1.00 0.00 C ATOM 697 CG PHE A 412 -18.197 5.873 -9.304 1.00 0.00 C ATOM 698 CD1 PHE A 412 -16.968 5.790 -9.982 1.00 0.00 C ATOM 699 CD2 PHE A 412 -18.223 5.886 -7.897 1.00 0.00 C ATOM 700 CE1 PHE A 412 -15.770 5.727 -9.253 1.00 0.00 C ATOM 701 CE2 PHE A 412 -17.022 5.822 -7.169 1.00 0.00 C ATOM 702 CZ PHE A 412 -15.795 5.743 -7.848 1.00 0.00 C ATOM 0 H PHE A 412 -18.918 4.654 -12.172 1.00 0.00 H new ATOM 0 HA PHE A 412 -19.892 3.932 -9.543 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -19.317 6.487 -11.017 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -20.224 6.512 -9.518 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -16.946 5.775 -11.062 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -19.167 5.945 -7.376 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -14.826 5.666 -9.774 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -17.043 5.834 -6.089 1.00 0.00 H new ATOM 0 HZ PHE A 412 -14.871 5.695 -7.291 1.00 0.00 H new ATOM 712 N ASN A 413 -22.394 4.213 -9.734 1.00 0.00 N ATOM 713 CA ASN A 413 -23.849 4.212 -9.855 1.00 0.00 C ATOM 714 C ASN A 413 -24.421 5.623 -9.664 1.00 0.00 C ATOM 715 O ASN A 413 -25.155 5.878 -8.709 1.00 0.00 O ATOM 716 CB ASN A 413 -24.447 3.216 -8.850 1.00 0.00 C ATOM 717 CG ASN A 413 -23.989 1.779 -9.084 1.00 0.00 C ATOM 718 OD1 ASN A 413 -24.103 1.259 -10.190 1.00 0.00 O ATOM 719 ND2 ASN A 413 -23.486 1.119 -8.040 1.00 0.00 N ATOM 0 H ASN A 413 -22.062 3.844 -8.843 1.00 0.00 H new ATOM 0 HA ASN A 413 -24.123 3.895 -10.861 1.00 0.00 H new ATOM 0 HB2 ASN A 413 -24.171 3.519 -7.840 1.00 0.00 H new ATOM 0 HB3 ASN A 413 -25.535 3.258 -8.909 1.00 0.00 H new ATOM 0 HD21 ASN A 413 -23.182 0.151 -8.147 1.00 0.00 H new ATOM 0 HD22 ASN A 413 -23.405 1.582 -7.135 1.00 0.00 H new ATOM 726 N ASN A 414 -24.083 6.539 -10.582 1.00 0.00 N ATOM 727 CA ASN A 414 -24.515 7.933 -10.590 1.00 0.00 C ATOM 728 C ASN A 414 -24.111 8.620 -9.281 1.00 0.00 C ATOM 729 O ASN A 414 -24.961 9.050 -8.500 1.00 0.00 O ATOM 730 CB ASN A 414 -26.019 8.023 -10.901 1.00 0.00 C ATOM 731 CG ASN A 414 -26.444 9.430 -11.321 1.00 0.00 C ATOM 732 OD1 ASN A 414 -26.715 9.673 -12.492 1.00 0.00 O ATOM 733 ND2 ASN A 414 -26.515 10.365 -10.375 1.00 0.00 N ATOM 0 H ASN A 414 -23.476 6.314 -11.370 1.00 0.00 H new ATOM 0 HA ASN A 414 -24.008 8.477 -11.387 1.00 0.00 H new ATOM 0 HB2 ASN A 414 -26.266 7.319 -11.696 1.00 0.00 H new ATOM 0 HB3 ASN A 414 -26.588 7.722 -10.021 1.00 0.00 H new ATOM 0 HD21 ASN A 414 -26.801 11.314 -10.616 1.00 0.00 H new ATOM 0 HD22 ASN A 414 -26.283 10.132 -9.409 1.00 0.00 H new ATOM 740 N ARG A 415 -22.799 8.707 -9.042 1.00 0.00 N ATOM 741 CA ARG A 415 -22.207 9.301 -7.851 1.00 0.00 C ATOM 742 C ARG A 415 -21.495 10.605 -8.231 1.00 0.00 C ATOM 743 O ARG A 415 -20.964 10.712 -9.334 1.00 0.00 O ATOM 744 CB ARG A 415 -21.263 8.263 -7.228 1.00 0.00 C ATOM 745 CG ARG A 415 -21.095 8.404 -5.711 1.00 0.00 C ATOM 746 CD ARG A 415 -22.343 8.042 -4.893 1.00 0.00 C ATOM 747 NE ARG A 415 -22.839 6.688 -5.188 1.00 0.00 N ATOM 748 CZ ARG A 415 -23.998 6.376 -5.791 1.00 0.00 C ATOM 749 NH1 ARG A 415 -24.794 7.306 -6.327 1.00 0.00 N ATOM 750 NH2 ARG A 415 -24.365 5.098 -5.870 1.00 0.00 N ATOM 0 H ARG A 415 -22.102 8.353 -9.697 1.00 0.00 H new ATOM 0 HA ARG A 415 -22.962 9.563 -7.110 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -21.640 7.265 -7.450 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -20.285 8.347 -7.701 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -20.269 7.769 -5.390 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -20.814 9.432 -5.484 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -22.111 8.117 -3.831 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -23.131 8.767 -5.099 1.00 0.00 H new ATOM 0 HE ARG A 415 -22.243 5.909 -4.907 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -24.528 8.290 -6.286 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -25.667 7.032 -6.777 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -23.769 4.371 -5.475 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -25.243 4.847 -6.325 1.00 0.00 H new ATOM 764 N THR A 416 -21.500 11.598 -7.331 1.00 0.00 N ATOM 765 CA THR A 416 -20.896 12.910 -7.560 1.00 0.00 C ATOM 766 C THR A 416 -19.515 13.022 -6.916 1.00 0.00 C ATOM 767 O THR A 416 -19.230 12.341 -5.934 1.00 0.00 O ATOM 768 CB THR A 416 -21.803 14.009 -6.985 1.00 0.00 C ATOM 769 OG1 THR A 416 -21.839 13.936 -5.572 1.00 0.00 O ATOM 770 CG2 THR A 416 -23.228 13.943 -7.546 1.00 0.00 C ATOM 0 H THR A 416 -21.931 11.507 -6.411 1.00 0.00 H new ATOM 0 HA THR A 416 -20.784 13.033 -8.637 1.00 0.00 H new ATOM 0 HB THR A 416 -21.373 14.963 -7.289 1.00 0.00 H new ATOM 0 HG1 THR A 416 -22.420 14.644 -5.223 1.00 0.00 H new ATOM 0 HG21 THR A 416 -23.829 14.740 -7.108 1.00 0.00 H new ATOM 0 HG22 THR A 416 -23.199 14.063 -8.629 1.00 0.00 H new ATOM 0 HG23 THR A 416 -23.671 12.978 -7.300 1.00 0.00 H new ATOM 778 N SER A 417 -18.669 13.915 -7.446 1.00 0.00 N ATOM 779 CA SER A 417 -17.333 14.178 -6.915 1.00 0.00 C ATOM 780 C SER A 417 -17.402 14.636 -5.452 1.00 0.00 C ATOM 781 O SER A 417 -16.481 14.390 -4.669 1.00 0.00 O ATOM 782 CB SER A 417 -16.634 15.233 -7.780 1.00 0.00 C ATOM 783 OG SER A 417 -16.403 14.729 -9.079 1.00 0.00 O ATOM 0 H SER A 417 -18.899 14.479 -8.264 1.00 0.00 H new ATOM 0 HA SER A 417 -16.756 13.253 -6.945 1.00 0.00 H new ATOM 0 HB2 SER A 417 -17.248 16.132 -7.836 1.00 0.00 H new ATOM 0 HB3 SER A 417 -15.688 15.521 -7.321 1.00 0.00 H new ATOM 0 HG SER A 417 -15.958 15.413 -9.621 1.00 0.00 H new ATOM 789 N VAL A 418 -18.502 15.303 -5.079 1.00 0.00 N ATOM 790 CA VAL A 418 -18.754 15.775 -3.728 1.00 0.00 C ATOM 791 C VAL A 418 -18.956 14.549 -2.838 1.00 0.00 C ATOM 792 O VAL A 418 -18.313 14.417 -1.798 1.00 0.00 O ATOM 793 CB VAL A 418 -19.979 16.708 -3.714 1.00 0.00 C ATOM 794 CG1 VAL A 418 -20.284 17.193 -2.291 1.00 0.00 C ATOM 795 CG2 VAL A 418 -19.740 17.932 -4.610 1.00 0.00 C ATOM 0 H VAL A 418 -19.254 15.530 -5.730 1.00 0.00 H new ATOM 0 HA VAL A 418 -17.913 16.356 -3.351 1.00 0.00 H new ATOM 0 HB VAL A 418 -20.827 16.136 -4.092 1.00 0.00 H new ATOM 0 HG11 VAL A 418 -21.153 17.850 -2.309 1.00 0.00 H new ATOM 0 HG12 VAL A 418 -20.491 16.335 -1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 418 -19.425 17.739 -1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 418 -20.618 18.578 -4.586 1.00 0.00 H new ATOM 0 HG22 VAL A 418 -18.873 18.484 -4.248 1.00 0.00 H new ATOM 0 HG23 VAL A 418 -19.559 17.604 -5.634 1.00 0.00 H new ATOM 805 N MET A 419 -19.844 13.644 -3.261 1.00 0.00 N ATOM 806 CA MET A 419 -20.119 12.434 -2.513 1.00 0.00 C ATOM 807 C MET A 419 -18.863 11.553 -2.418 1.00 0.00 C ATOM 808 O MET A 419 -18.602 10.988 -1.360 1.00 0.00 O ATOM 809 CB MET A 419 -21.339 11.734 -3.126 1.00 0.00 C ATOM 810 CG MET A 419 -21.842 10.573 -2.265 1.00 0.00 C ATOM 811 SD MET A 419 -22.231 10.923 -0.525 1.00 0.00 S ATOM 812 CE MET A 419 -23.592 12.099 -0.720 1.00 0.00 C ATOM 0 H MET A 419 -20.382 13.736 -4.123 1.00 0.00 H new ATOM 0 HA MET A 419 -20.375 12.669 -1.480 1.00 0.00 H new ATOM 0 HB2 MET A 419 -22.142 12.459 -3.257 1.00 0.00 H new ATOM 0 HB3 MET A 419 -21.080 11.362 -4.117 1.00 0.00 H new ATOM 0 HG2 MET A 419 -22.739 10.170 -2.735 1.00 0.00 H new ATOM 0 HG3 MET A 419 -21.088 9.786 -2.289 1.00 0.00 H new ATOM 0 HE1 MET A 419 -23.946 12.412 0.262 1.00 0.00 H new ATOM 0 HE2 MET A 419 -23.244 12.970 -1.275 1.00 0.00 H new ATOM 0 HE3 MET A 419 -24.408 11.624 -1.265 1.00 0.00 H new ATOM 822 N LEU A 420 -18.074 11.443 -3.499 1.00 0.00 N ATOM 823 CA LEU A 420 -16.840 10.658 -3.511 1.00 0.00 C ATOM 824 C LEU A 420 -15.882 11.160 -2.431 1.00 0.00 C ATOM 825 O LEU A 420 -15.445 10.375 -1.587 1.00 0.00 O ATOM 826 CB LEU A 420 -16.131 10.714 -4.877 1.00 0.00 C ATOM 827 CG LEU A 420 -16.484 9.548 -5.812 1.00 0.00 C ATOM 828 CD1 LEU A 420 -17.874 9.682 -6.418 1.00 0.00 C ATOM 829 CD2 LEU A 420 -15.460 9.433 -6.943 1.00 0.00 C ATOM 0 H LEU A 420 -18.279 11.899 -4.388 1.00 0.00 H new ATOM 0 HA LEU A 420 -17.119 9.623 -3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 420 -16.387 11.652 -5.370 1.00 0.00 H new ATOM 0 HB3 LEU A 420 -15.053 10.723 -4.715 1.00 0.00 H new ATOM 0 HG LEU A 420 -16.468 8.649 -5.196 1.00 0.00 H new ATOM 0 HD11 LEU A 420 -18.070 8.831 -7.070 1.00 0.00 H new ATOM 0 HD12 LEU A 420 -18.617 9.708 -5.621 1.00 0.00 H new ATOM 0 HD13 LEU A 420 -17.931 10.604 -6.997 1.00 0.00 H new ATOM 0 HD21 LEU A 420 -15.729 8.601 -7.594 1.00 0.00 H new ATOM 0 HD22 LEU A 420 -15.451 10.357 -7.521 1.00 0.00 H new ATOM 0 HD23 LEU A 420 -14.470 9.259 -6.521 1.00 0.00 H new ATOM 841 N LYS A 421 -15.547 12.459 -2.465 1.00 0.00 N ATOM 842 CA LYS A 421 -14.623 13.018 -1.488 1.00 0.00 C ATOM 843 C LYS A 421 -15.146 12.830 -0.066 1.00 0.00 C ATOM 844 O LYS A 421 -14.365 12.492 0.816 1.00 0.00 O ATOM 845 CB LYS A 421 -14.206 14.463 -1.820 1.00 0.00 C ATOM 846 CG LYS A 421 -15.210 15.532 -1.395 1.00 0.00 C ATOM 847 CD LYS A 421 -14.741 16.976 -1.622 1.00 0.00 C ATOM 848 CE LYS A 421 -14.297 17.289 -3.055 1.00 0.00 C ATOM 849 NZ LYS A 421 -15.301 16.907 -4.066 1.00 0.00 N ATOM 0 H LYS A 421 -15.900 13.127 -3.150 1.00 0.00 H new ATOM 0 HA LYS A 421 -13.694 12.451 -1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -13.250 14.670 -1.339 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -14.045 14.542 -2.895 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -16.140 15.376 -1.942 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -15.436 15.399 -0.337 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -15.551 17.653 -1.351 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -13.912 17.185 -0.946 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -14.091 18.356 -3.141 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -13.363 16.766 -3.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -14.938 17.127 -5.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -15.493 15.887 -3.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -16.180 17.437 -3.900 1.00 0.00 H new ATOM 863 N ASP A 422 -16.450 13.030 0.160 1.00 0.00 N ATOM 864 CA ASP A 422 -17.040 12.858 1.480 1.00 0.00 C ATOM 865 C ASP A 422 -16.832 11.424 1.977 1.00 0.00 C ATOM 866 O ASP A 422 -16.292 11.217 3.064 1.00 0.00 O ATOM 867 CB ASP A 422 -18.527 13.221 1.444 1.00 0.00 C ATOM 868 CG ASP A 422 -19.170 12.955 2.799 1.00 0.00 C ATOM 869 OD1 ASP A 422 -18.898 13.753 3.720 1.00 0.00 O ATOM 870 OD2 ASP A 422 -19.894 11.940 2.892 1.00 0.00 O ATOM 0 H ASP A 422 -17.113 13.312 -0.562 1.00 0.00 H new ATOM 0 HA ASP A 422 -16.543 13.529 2.180 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -18.645 14.271 1.178 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -19.032 12.638 0.674 1.00 0.00 H new ATOM 875 N ARG A 423 -17.254 10.441 1.173 1.00 0.00 N ATOM 876 CA ARG A 423 -17.144 9.019 1.479 1.00 0.00 C ATOM 877 C ARG A 423 -15.709 8.664 1.878 1.00 0.00 C ATOM 878 O ARG A 423 -15.483 8.077 2.938 1.00 0.00 O ATOM 879 CB ARG A 423 -17.599 8.197 0.261 1.00 0.00 C ATOM 880 CG ARG A 423 -18.279 6.859 0.575 1.00 0.00 C ATOM 881 CD ARG A 423 -17.599 5.962 1.609 1.00 0.00 C ATOM 882 NE ARG A 423 -18.208 4.619 1.615 1.00 0.00 N ATOM 883 CZ ARG A 423 -19.410 4.301 2.123 1.00 0.00 C ATOM 884 NH1 ARG A 423 -20.159 5.229 2.733 1.00 0.00 N ATOM 885 NH2 ARG A 423 -19.870 3.049 2.021 1.00 0.00 N ATOM 0 H ARG A 423 -17.692 10.622 0.270 1.00 0.00 H new ATOM 0 HA ARG A 423 -17.790 8.781 2.324 1.00 0.00 H new ATOM 0 HB2 ARG A 423 -18.288 8.804 -0.326 1.00 0.00 H new ATOM 0 HB3 ARG A 423 -16.730 8.003 -0.368 1.00 0.00 H new ATOM 0 HG2 ARG A 423 -19.292 7.066 0.920 1.00 0.00 H new ATOM 0 HG3 ARG A 423 -18.368 6.297 -0.355 1.00 0.00 H new ATOM 0 HD2 ARG A 423 -16.535 5.883 1.386 1.00 0.00 H new ATOM 0 HD3 ARG A 423 -17.685 6.410 2.599 1.00 0.00 H new ATOM 0 HE ARG A 423 -17.667 3.863 1.195 1.00 0.00 H new ATOM 0 HH11 ARG A 423 -19.818 6.187 2.815 1.00 0.00 H new ATOM 0 HH12 ARG A 423 -21.071 4.978 3.116 1.00 0.00 H new ATOM 0 HH21 ARG A 423 -19.308 2.335 1.557 1.00 0.00 H new ATOM 0 HH22 ARG A 423 -20.783 2.808 2.407 1.00 0.00 H new ATOM 899 N TRP A 424 -14.737 9.022 1.030 1.00 0.00 N ATOM 900 CA TRP A 424 -13.335 8.735 1.289 1.00 0.00 C ATOM 901 C TRP A 424 -12.839 9.440 2.549 1.00 0.00 C ATOM 902 O TRP A 424 -12.231 8.810 3.412 1.00 0.00 O ATOM 903 CB TRP A 424 -12.470 9.138 0.094 1.00 0.00 C ATOM 904 CG TRP A 424 -11.024 8.811 0.293 1.00 0.00 C ATOM 905 CD1 TRP A 424 -10.025 9.703 0.465 1.00 0.00 C ATOM 906 CD2 TRP A 424 -10.399 7.495 0.360 1.00 0.00 C ATOM 907 NE1 TRP A 424 -8.826 9.041 0.626 1.00 0.00 N ATOM 908 CE2 TRP A 424 -9.000 7.671 0.572 1.00 0.00 C ATOM 909 CE3 TRP A 424 -10.874 6.170 0.264 1.00 0.00 C ATOM 910 CZ2 TRP A 424 -8.117 6.586 0.681 1.00 0.00 C ATOM 911 CZ3 TRP A 424 -9.997 5.075 0.376 1.00 0.00 C ATOM 912 CH2 TRP A 424 -8.622 5.280 0.581 1.00 0.00 C ATOM 0 H TRP A 424 -14.906 9.515 0.153 1.00 0.00 H new ATOM 0 HA TRP A 424 -13.249 7.660 1.445 1.00 0.00 H new ATOM 0 HB2 TRP A 424 -12.833 8.631 -0.800 1.00 0.00 H new ATOM 0 HB3 TRP A 424 -12.576 10.209 -0.081 1.00 0.00 H new ATOM 0 HD1 TRP A 424 -10.147 10.776 0.475 1.00 0.00 H new ATOM 0 HE1 TRP A 424 -7.927 9.503 0.767 1.00 0.00 H new ATOM 0 HE3 TRP A 424 -11.927 5.993 0.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 424 -7.062 6.754 0.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 424 -10.384 4.069 0.304 1.00 0.00 H new ATOM 0 HH2 TRP A 424 -7.955 4.434 0.661 1.00 0.00 H new ATOM 923 N ARG A 425 -13.086 10.749 2.655 1.00 0.00 N ATOM 924 CA ARG A 425 -12.655 11.546 3.793 1.00 0.00 C ATOM 925 C ARG A 425 -13.296 11.067 5.095 1.00 0.00 C ATOM 926 O ARG A 425 -12.714 11.276 6.155 1.00 0.00 O ATOM 927 CB ARG A 425 -12.883 13.042 3.538 1.00 0.00 C ATOM 928 CG ARG A 425 -11.979 13.579 2.414 1.00 0.00 C ATOM 929 CD ARG A 425 -10.528 13.791 2.873 1.00 0.00 C ATOM 930 NE ARG A 425 -9.640 14.090 1.741 1.00 0.00 N ATOM 931 CZ ARG A 425 -9.460 15.285 1.157 1.00 0.00 C ATOM 932 NH1 ARG A 425 -10.149 16.361 1.558 1.00 0.00 N ATOM 933 NH2 ARG A 425 -8.572 15.379 0.162 1.00 0.00 N ATOM 0 H ARG A 425 -13.593 11.282 1.948 1.00 0.00 H new ATOM 0 HA ARG A 425 -11.581 11.405 3.913 1.00 0.00 H new ATOM 0 HB2 ARG A 425 -13.927 13.210 3.275 1.00 0.00 H new ATOM 0 HB3 ARG A 425 -12.692 13.599 4.455 1.00 0.00 H new ATOM 0 HG2 ARG A 425 -11.993 12.881 1.577 1.00 0.00 H new ATOM 0 HG3 ARG A 425 -12.382 14.523 2.048 1.00 0.00 H new ATOM 0 HD2 ARG A 425 -10.489 14.609 3.592 1.00 0.00 H new ATOM 0 HD3 ARG A 425 -10.174 12.897 3.387 1.00 0.00 H new ATOM 0 HE ARG A 425 -9.106 13.309 1.360 1.00 0.00 H new ATOM 0 HH11 ARG A 425 -10.824 16.280 2.319 1.00 0.00 H new ATOM 0 HH12 ARG A 425 -9.999 17.261 1.103 1.00 0.00 H new ATOM 0 HH21 ARG A 425 -8.051 14.554 -0.136 1.00 0.00 H new ATOM 0 HH22 ARG A 425 -8.416 16.275 -0.299 1.00 0.00 H new ATOM 947 N THR A 426 -14.460 10.411 5.050 1.00 0.00 N ATOM 948 CA THR A 426 -15.074 9.871 6.256 1.00 0.00 C ATOM 949 C THR A 426 -14.182 8.732 6.757 1.00 0.00 C ATOM 950 O THR A 426 -13.798 8.719 7.927 1.00 0.00 O ATOM 951 CB THR A 426 -16.518 9.428 5.981 1.00 0.00 C ATOM 952 OG1 THR A 426 -17.284 10.557 5.619 1.00 0.00 O ATOM 953 CG2 THR A 426 -17.162 8.810 7.225 1.00 0.00 C ATOM 0 H THR A 426 -14.989 10.244 4.194 1.00 0.00 H new ATOM 0 HA THR A 426 -15.147 10.630 7.035 1.00 0.00 H new ATOM 0 HB THR A 426 -16.493 8.685 5.184 1.00 0.00 H new ATOM 0 HG1 THR A 426 -17.009 10.868 4.731 1.00 0.00 H new ATOM 0 HG21 THR A 426 -18.183 8.508 6.994 1.00 0.00 H new ATOM 0 HG22 THR A 426 -16.587 7.938 7.537 1.00 0.00 H new ATOM 0 HG23 THR A 426 -17.174 9.544 8.031 1.00 0.00 H new ATOM 961 N MET A 427 -13.834 7.789 5.869 1.00 0.00 N ATOM 962 CA MET A 427 -12.969 6.666 6.203 1.00 0.00 C ATOM 963 C MET A 427 -11.592 7.157 6.654 1.00 0.00 C ATOM 964 O MET A 427 -11.098 6.737 7.697 1.00 0.00 O ATOM 965 CB MET A 427 -12.819 5.723 5.001 1.00 0.00 C ATOM 966 CG MET A 427 -14.106 4.950 4.701 1.00 0.00 C ATOM 967 SD MET A 427 -13.922 3.710 3.391 1.00 0.00 S ATOM 968 CE MET A 427 -15.519 2.882 3.547 1.00 0.00 C ATOM 0 H MET A 427 -14.149 7.791 4.899 1.00 0.00 H new ATOM 0 HA MET A 427 -13.431 6.119 7.025 1.00 0.00 H new ATOM 0 HB2 MET A 427 -12.533 6.301 4.123 1.00 0.00 H new ATOM 0 HB3 MET A 427 -12.011 5.017 5.195 1.00 0.00 H new ATOM 0 HG2 MET A 427 -14.443 4.456 5.612 1.00 0.00 H new ATOM 0 HG3 MET A 427 -14.885 5.656 4.414 1.00 0.00 H new ATOM 0 HE1 MET A 427 -15.579 2.069 2.824 1.00 0.00 H new ATOM 0 HE2 MET A 427 -15.623 2.480 4.555 1.00 0.00 H new ATOM 0 HE3 MET A 427 -16.320 3.597 3.357 1.00 0.00 H new ATOM 978 N LYS A 428 -10.965 8.038 5.872 1.00 0.00 N ATOM 979 CA LYS A 428 -9.644 8.565 6.183 1.00 0.00 C ATOM 980 C LYS A 428 -9.629 9.300 7.527 1.00 0.00 C ATOM 981 O LYS A 428 -8.705 9.129 8.314 1.00 0.00 O ATOM 982 CB LYS A 428 -9.152 9.452 5.031 1.00 0.00 C ATOM 983 CG LYS A 428 -7.626 9.591 5.076 1.00 0.00 C ATOM 984 CD LYS A 428 -7.125 10.481 3.935 1.00 0.00 C ATOM 985 CE LYS A 428 -5.593 10.446 3.867 1.00 0.00 C ATOM 986 NZ LYS A 428 -5.081 11.283 2.767 1.00 0.00 N ATOM 0 H LYS A 428 -11.362 8.403 5.007 1.00 0.00 H new ATOM 0 HA LYS A 428 -8.951 7.730 6.287 1.00 0.00 H new ATOM 0 HB2 LYS A 428 -9.456 9.021 4.077 1.00 0.00 H new ATOM 0 HB3 LYS A 428 -9.615 10.436 5.098 1.00 0.00 H new ATOM 0 HG2 LYS A 428 -7.323 10.015 6.033 1.00 0.00 H new ATOM 0 HG3 LYS A 428 -7.165 8.606 5.004 1.00 0.00 H new ATOM 0 HD2 LYS A 428 -7.546 10.142 2.988 1.00 0.00 H new ATOM 0 HD3 LYS A 428 -7.466 11.505 4.087 1.00 0.00 H new ATOM 0 HE2 LYS A 428 -5.178 10.793 4.813 1.00 0.00 H new ATOM 0 HE3 LYS A 428 -5.257 9.418 3.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 -4.052 11.157 2.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 -5.536 11.001 1.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 -5.293 12.282 2.963 1.00 0.00 H new ATOM 1000 N LYS A 429 -10.647 10.117 7.799 1.00 0.00 N ATOM 1001 CA LYS A 429 -10.743 10.874 9.039 1.00 0.00 C ATOM 1002 C LYS A 429 -10.961 9.958 10.246 1.00 0.00 C ATOM 1003 O LYS A 429 -10.278 10.104 11.257 1.00 0.00 O ATOM 1004 CB LYS A 429 -11.894 11.873 8.890 1.00 0.00 C ATOM 1005 CG LYS A 429 -12.076 12.844 10.057 1.00 0.00 C ATOM 1006 CD LYS A 429 -13.419 13.588 9.962 1.00 0.00 C ATOM 1007 CE LYS A 429 -13.676 14.287 8.615 1.00 0.00 C ATOM 1008 NZ LYS A 429 -14.215 13.379 7.578 1.00 0.00 N ATOM 0 H LYS A 429 -11.428 10.270 7.161 1.00 0.00 H new ATOM 0 HA LYS A 429 -9.806 11.401 9.221 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -11.735 12.451 7.980 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -12.821 11.316 8.755 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -12.027 12.297 10.999 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -11.258 13.565 10.064 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -14.225 12.878 10.147 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -13.462 14.333 10.756 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -14.376 15.109 8.768 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -12.744 14.724 8.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -14.898 13.894 6.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -13.436 13.030 6.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -14.690 12.574 8.034 1.00 0.00 H new