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 398 TYR OH : rot -77:sc= 1.32 USER MOD Set 1.2: A 405 LYS NZ :NH3+ -177:sc= 0 (180deg=0) USER MOD Set 1.3: A 409 HIS : no HD1:sc= 0.339 K(o=1.7,f=-5.4!) USER MOD Set 2.1: A 393 SER OG : rot -86:sc= 1.16 USER MOD Set 2.2: A 397 LYS NZ :NH3+ 156:sc= 0.957 (180deg=0) USER MOD Set 2.3: A 410 TYR OH : rot 15:sc= 1.95 USER MOD Set 3.1: A 389 LYS NZ :NH3+ 169:sc= 0.359 (180deg=-1.38!) USER MOD Set 3.2: A 390 ASN : amide:sc= 1.86 K(o=2.2,f=-8!) USER MOD Single : A 402 ASN : amide:sc= 0.737 K(o=0.74,f=0) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 413 ASN : amide:sc= -0.146! X(o=-0.15!,f=0) USER MOD Single : A 414 ASN : amide:sc= -0.0968 K(o=-0.097,f=-1.1) USER MOD Single : A 416 THR OG1 : rot 180:sc= 0.272 USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 419 MET CE :methyl -160:sc= -0.397 (180deg=-1.08) USER MOD Single : A 421 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00824) USER MOD Single : A 426 THR OG1 : rot 81:sc= 0.994 USER MOD Single : A 427 MET CE :methyl 158:sc= -0.0205 (180deg=-0.415) USER MOD Single : A 428 LYS NZ :NH3+ 144:sc= 1.08 (180deg=-0.65!) USER MOD Single : A 429 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 186 N TRP A 383 -23.441 3.186 -1.979 1.00 0.00 N ATOM 187 CA TRP A 383 -22.078 2.759 -1.721 1.00 0.00 C ATOM 188 C TRP A 383 -22.006 1.276 -1.398 1.00 0.00 C ATOM 189 O TRP A 383 -21.709 0.873 -0.273 1.00 0.00 O ATOM 190 CB TRP A 383 -21.370 3.675 -0.727 1.00 0.00 C ATOM 191 CG TRP A 383 -21.267 5.073 -1.234 1.00 0.00 C ATOM 192 CD1 TRP A 383 -22.019 6.127 -0.851 1.00 0.00 C ATOM 193 CD2 TRP A 383 -20.350 5.572 -2.243 1.00 0.00 C ATOM 194 NE1 TRP A 383 -21.623 7.257 -1.544 1.00 0.00 N ATOM 195 CE2 TRP A 383 -20.592 6.965 -2.421 1.00 0.00 C ATOM 196 CE3 TRP A 383 -19.335 4.979 -3.022 1.00 0.00 C ATOM 197 CZ2 TRP A 383 -19.855 7.735 -3.331 1.00 0.00 C ATOM 198 CZ3 TRP A 383 -18.595 5.743 -3.939 1.00 0.00 C ATOM 199 CH2 TRP A 383 -18.855 7.114 -4.093 1.00 0.00 C ATOM 0 HA TRP A 383 -21.504 2.868 -2.641 1.00 0.00 H new ATOM 0 HB2 TRP A 383 -21.911 3.671 0.219 1.00 0.00 H new ATOM 0 HB3 TRP A 383 -20.371 3.288 -0.525 1.00 0.00 H new ATOM 0 HD1 TRP A 383 -22.809 6.093 -0.116 1.00 0.00 H new ATOM 0 HE1 TRP A 383 -22.036 8.182 -1.425 1.00 0.00 H new ATOM 0 HE3 TRP A 383 -19.124 3.925 -2.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 383 -20.054 8.790 -3.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 383 -17.822 5.273 -4.529 1.00 0.00 H new ATOM 0 HH2 TRP A 383 -18.282 7.693 -4.802 1.00 0.00 H new ATOM 210 N LEU A 384 -22.270 0.477 -2.434 1.00 0.00 N ATOM 211 CA LEU A 384 -22.227 -0.972 -2.385 1.00 0.00 C ATOM 212 C LEU A 384 -20.766 -1.432 -2.347 1.00 0.00 C ATOM 213 O LEU A 384 -19.839 -0.627 -2.452 1.00 0.00 O ATOM 214 CB LEU A 384 -22.945 -1.555 -3.615 1.00 0.00 C ATOM 215 CG LEU A 384 -24.395 -1.074 -3.797 1.00 0.00 C ATOM 216 CD1 LEU A 384 -24.953 -1.655 -5.102 1.00 0.00 C ATOM 217 CD2 LEU A 384 -25.290 -1.489 -2.624 1.00 0.00 C ATOM 0 H LEU A 384 -22.526 0.838 -3.353 1.00 0.00 H new ATOM 0 HA LEU A 384 -22.735 -1.327 -1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 384 -22.376 -1.297 -4.508 1.00 0.00 H new ATOM 0 HB3 LEU A 384 -22.943 -2.642 -3.539 1.00 0.00 H new ATOM 0 HG LEU A 384 -24.389 0.015 -3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 384 -25.981 -1.319 -5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 384 -24.345 -1.316 -5.941 1.00 0.00 H new ATOM 0 HD13 LEU A 384 -24.930 -2.744 -5.055 1.00 0.00 H new ATOM 0 HD21 LEU A 384 -26.304 -1.128 -2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 384 -25.300 -2.576 -2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 384 -24.903 -1.058 -1.701 1.00 0.00 H new ATOM 229 N TRP A 385 -20.569 -2.746 -2.199 1.00 0.00 N ATOM 230 CA TRP A 385 -19.261 -3.385 -2.153 1.00 0.00 C ATOM 231 C TRP A 385 -18.389 -2.939 -3.333 1.00 0.00 C ATOM 232 O TRP A 385 -17.246 -2.520 -3.152 1.00 0.00 O ATOM 233 CB TRP A 385 -19.459 -4.909 -2.114 1.00 0.00 C ATOM 234 CG TRP A 385 -20.149 -5.509 -3.306 1.00 0.00 C ATOM 235 CD1 TRP A 385 -21.484 -5.666 -3.462 1.00 0.00 C ATOM 236 CD2 TRP A 385 -19.547 -6.032 -4.529 1.00 0.00 C ATOM 237 NE1 TRP A 385 -21.751 -6.241 -4.687 1.00 0.00 N ATOM 238 CE2 TRP A 385 -20.589 -6.486 -5.390 1.00 0.00 C ATOM 239 CE3 TRP A 385 -18.222 -6.158 -5.000 1.00 0.00 C ATOM 240 CZ2 TRP A 385 -20.329 -7.043 -6.651 1.00 0.00 C ATOM 241 CZ3 TRP A 385 -17.951 -6.713 -6.263 1.00 0.00 C ATOM 242 CH2 TRP A 385 -19.000 -7.155 -7.089 1.00 0.00 C ATOM 0 H TRP A 385 -21.340 -3.408 -2.106 1.00 0.00 H new ATOM 0 HA TRP A 385 -18.729 -3.081 -1.252 1.00 0.00 H new ATOM 0 HB2 TRP A 385 -18.482 -5.381 -2.008 1.00 0.00 H new ATOM 0 HB3 TRP A 385 -20.033 -5.159 -1.222 1.00 0.00 H new ATOM 0 HD1 TRP A 385 -22.230 -5.383 -2.735 1.00 0.00 H new ATOM 0 HE1 TRP A 385 -22.687 -6.457 -5.029 1.00 0.00 H new ATOM 0 HE3 TRP A 385 -17.404 -5.823 -4.380 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 -21.141 -7.381 -7.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 -16.929 -6.801 -6.602 1.00 0.00 H new ATOM 0 HH2 TRP A 385 -18.784 -7.580 -8.058 1.00 0.00 H new ATOM 253 N GLU A 386 -18.948 -3.032 -4.542 1.00 0.00 N ATOM 254 CA GLU A 386 -18.290 -2.674 -5.783 1.00 0.00 C ATOM 255 C GLU A 386 -17.920 -1.193 -5.828 1.00 0.00 C ATOM 256 O GLU A 386 -16.828 -0.869 -6.289 1.00 0.00 O ATOM 257 CB GLU A 386 -19.138 -3.116 -6.984 1.00 0.00 C ATOM 258 CG GLU A 386 -20.584 -2.609 -6.961 1.00 0.00 C ATOM 259 CD GLU A 386 -21.374 -3.211 -8.114 1.00 0.00 C ATOM 260 OE1 GLU A 386 -21.244 -2.669 -9.233 1.00 0.00 O ATOM 261 OE2 GLU A 386 -22.075 -4.214 -7.855 1.00 0.00 O ATOM 0 H GLU A 386 -19.901 -3.370 -4.679 1.00 0.00 H new ATOM 0 HA GLU A 386 -17.344 -3.213 -5.838 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -18.659 -2.768 -7.899 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -19.149 -4.205 -7.024 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -21.054 -2.872 -6.013 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -20.596 -1.521 -7.032 1.00 0.00 H new ATOM 268 N GLU A 387 -18.803 -0.305 -5.353 1.00 0.00 N ATOM 269 CA GLU A 387 -18.575 1.130 -5.341 1.00 0.00 C ATOM 270 C GLU A 387 -17.416 1.477 -4.407 1.00 0.00 C ATOM 271 O GLU A 387 -16.502 2.185 -4.816 1.00 0.00 O ATOM 272 CB GLU A 387 -19.860 1.864 -4.951 1.00 0.00 C ATOM 273 CG GLU A 387 -21.020 1.514 -5.889 1.00 0.00 C ATOM 274 CD GLU A 387 -22.225 2.410 -5.645 1.00 0.00 C ATOM 275 OE1 GLU A 387 -22.891 2.205 -4.609 1.00 0.00 O ATOM 276 OE2 GLU A 387 -22.476 3.267 -6.521 1.00 0.00 O ATOM 0 H GLU A 387 -19.706 -0.576 -4.963 1.00 0.00 H new ATOM 0 HA GLU A 387 -18.297 1.458 -6.343 1.00 0.00 H new ATOM 0 HB2 GLU A 387 -20.130 1.606 -3.927 1.00 0.00 H new ATOM 0 HB3 GLU A 387 -19.686 2.940 -4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 387 -20.695 1.614 -6.924 1.00 0.00 H new ATOM 0 HG3 GLU A 387 -21.305 0.472 -5.744 1.00 0.00 H new ATOM 283 N ASP A 388 -17.431 0.980 -3.164 1.00 0.00 N ATOM 284 CA ASP A 388 -16.351 1.235 -2.212 1.00 0.00 C ATOM 285 C ASP A 388 -15.026 0.701 -2.764 1.00 0.00 C ATOM 286 O ASP A 388 -14.007 1.388 -2.705 1.00 0.00 O ATOM 287 CB ASP A 388 -16.677 0.610 -0.848 1.00 0.00 C ATOM 288 CG ASP A 388 -17.626 1.482 -0.034 1.00 0.00 C ATOM 289 OD1 ASP A 388 -17.293 2.668 0.163 1.00 0.00 O ATOM 290 OD2 ASP A 388 -18.668 0.968 0.427 1.00 0.00 O ATOM 0 H ASP A 388 -18.183 0.397 -2.796 1.00 0.00 H new ATOM 0 HA ASP A 388 -16.252 2.311 -2.070 1.00 0.00 H new ATOM 0 HB2 ASP A 388 -17.125 -0.373 -0.997 1.00 0.00 H new ATOM 0 HB3 ASP A 388 -15.754 0.458 -0.289 1.00 0.00 H new ATOM 295 N LYS A 389 -15.039 -0.518 -3.315 1.00 0.00 N ATOM 296 CA LYS A 389 -13.856 -1.125 -3.909 1.00 0.00 C ATOM 297 C LYS A 389 -13.346 -0.230 -5.046 1.00 0.00 C ATOM 298 O LYS A 389 -12.154 0.075 -5.108 1.00 0.00 O ATOM 299 CB LYS A 389 -14.211 -2.555 -4.350 1.00 0.00 C ATOM 300 CG LYS A 389 -13.043 -3.408 -4.878 1.00 0.00 C ATOM 301 CD LYS A 389 -12.623 -3.188 -6.342 1.00 0.00 C ATOM 302 CE LYS A 389 -13.519 -3.877 -7.384 1.00 0.00 C ATOM 303 NZ LYS A 389 -14.825 -3.214 -7.571 1.00 0.00 N ATOM 0 H LYS A 389 -15.871 -1.106 -3.359 1.00 0.00 H new ATOM 0 HA LYS A 389 -13.037 -1.206 -3.195 1.00 0.00 H new ATOM 0 HB2 LYS A 389 -14.660 -3.074 -3.503 1.00 0.00 H new ATOM 0 HB3 LYS A 389 -14.972 -2.496 -5.128 1.00 0.00 H new ATOM 0 HG2 LYS A 389 -12.175 -3.223 -4.245 1.00 0.00 H new ATOM 0 HG3 LYS A 389 -13.308 -4.458 -4.756 1.00 0.00 H new ATOM 0 HD2 LYS A 389 -12.613 -2.117 -6.545 1.00 0.00 H new ATOM 0 HD3 LYS A 389 -11.601 -3.546 -6.469 1.00 0.00 H new ATOM 0 HE2 LYS A 389 -12.995 -3.905 -8.339 1.00 0.00 H new ATOM 0 HE3 LYS A 389 -13.686 -4.911 -7.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 -15.299 -3.610 -8.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 -15.418 -3.371 -6.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 -14.680 -2.193 -7.706 1.00 0.00 H new ATOM 317 N ASN A 390 -14.246 0.202 -5.937 1.00 0.00 N ATOM 318 CA ASN A 390 -13.929 1.073 -7.063 1.00 0.00 C ATOM 319 C ASN A 390 -13.330 2.391 -6.580 1.00 0.00 C ATOM 320 O ASN A 390 -12.360 2.873 -7.159 1.00 0.00 O ATOM 321 CB ASN A 390 -15.187 1.346 -7.904 1.00 0.00 C ATOM 322 CG ASN A 390 -15.579 0.170 -8.794 1.00 0.00 C ATOM 323 OD1 ASN A 390 -14.880 -0.838 -8.854 1.00 0.00 O ATOM 324 ND2 ASN A 390 -16.700 0.285 -9.502 1.00 0.00 N ATOM 0 H ASN A 390 -15.233 -0.052 -5.890 1.00 0.00 H new ATOM 0 HA ASN A 390 -13.192 0.564 -7.684 1.00 0.00 H new ATOM 0 HB2 ASN A 390 -16.017 1.583 -7.239 1.00 0.00 H new ATOM 0 HB3 ASN A 390 -15.017 2.224 -8.527 1.00 0.00 H new ATOM 0 HD21 ASN A 390 -16.997 -0.475 -10.113 1.00 0.00 H new ATOM 0 HD22 ASN A 390 -17.262 1.134 -9.433 1.00 0.00 H new ATOM 331 N LEU A 391 -13.905 2.968 -5.523 1.00 0.00 N ATOM 332 CA LEU A 391 -13.467 4.218 -4.929 1.00 0.00 C ATOM 333 C LEU A 391 -12.022 4.088 -4.450 1.00 0.00 C ATOM 334 O LEU A 391 -11.164 4.873 -4.850 1.00 0.00 O ATOM 335 CB LEU A 391 -14.426 4.582 -3.787 1.00 0.00 C ATOM 336 CG LEU A 391 -14.232 6.003 -3.250 1.00 0.00 C ATOM 337 CD1 LEU A 391 -14.628 7.047 -4.295 1.00 0.00 C ATOM 338 CD2 LEU A 391 -15.116 6.168 -2.007 1.00 0.00 C ATOM 0 H LEU A 391 -14.711 2.561 -5.048 1.00 0.00 H new ATOM 0 HA LEU A 391 -13.489 5.022 -5.664 1.00 0.00 H new ATOM 0 HB2 LEU A 391 -15.452 4.472 -4.137 1.00 0.00 H new ATOM 0 HB3 LEU A 391 -14.290 3.873 -2.970 1.00 0.00 H new ATOM 0 HG LEU A 391 -13.181 6.154 -3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 391 -14.480 8.046 -3.885 1.00 0.00 H new ATOM 0 HD12 LEU A 391 -14.010 6.924 -5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 391 -15.677 6.916 -4.561 1.00 0.00 H new ATOM 0 HD21 LEU A 391 -14.995 7.174 -1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 391 -16.159 6.009 -2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 391 -14.822 5.438 -1.252 1.00 0.00 H new ATOM 350 N ARG A 392 -11.760 3.085 -3.605 1.00 0.00 N ATOM 351 CA ARG A 392 -10.438 2.806 -3.062 1.00 0.00 C ATOM 352 C ARG A 392 -9.426 2.635 -4.194 1.00 0.00 C ATOM 353 O ARG A 392 -8.376 3.279 -4.198 1.00 0.00 O ATOM 354 CB ARG A 392 -10.525 1.562 -2.167 1.00 0.00 C ATOM 355 CG ARG A 392 -9.218 1.303 -1.407 1.00 0.00 C ATOM 356 CD ARG A 392 -9.301 0.031 -0.556 1.00 0.00 C ATOM 357 NE ARG A 392 -10.349 0.127 0.470 1.00 0.00 N ATOM 358 CZ ARG A 392 -10.673 -0.850 1.335 1.00 0.00 C ATOM 359 NH1 ARG A 392 -10.021 -2.020 1.312 1.00 0.00 N ATOM 360 NH2 ARG A 392 -11.655 -0.654 2.224 1.00 0.00 N ATOM 0 H ARG A 392 -12.476 2.437 -3.278 1.00 0.00 H new ATOM 0 HA ARG A 392 -10.092 3.642 -2.455 1.00 0.00 H new ATOM 0 HB2 ARG A 392 -11.340 1.686 -1.454 1.00 0.00 H new ATOM 0 HB3 ARG A 392 -10.766 0.693 -2.779 1.00 0.00 H new ATOM 0 HG2 ARG A 392 -8.396 1.213 -2.117 1.00 0.00 H new ATOM 0 HG3 ARG A 392 -8.994 2.156 -0.766 1.00 0.00 H new ATOM 0 HD2 ARG A 392 -9.501 -0.825 -1.201 1.00 0.00 H new ATOM 0 HD3 ARG A 392 -8.339 -0.149 -0.077 1.00 0.00 H new ATOM 0 HE ARG A 392 -10.870 1.002 0.530 1.00 0.00 H new ATOM 0 HH11 ARG A 392 -9.273 -2.174 0.635 1.00 0.00 H new ATOM 0 HH12 ARG A 392 -10.272 -2.757 1.971 1.00 0.00 H new ATOM 0 HH21 ARG A 392 -12.155 0.235 2.244 1.00 0.00 H new ATOM 0 HH22 ARG A 392 -11.903 -1.393 2.881 1.00 0.00 H new ATOM 374 N SER A 393 -9.754 1.769 -5.157 1.00 0.00 N ATOM 375 CA SER A 393 -8.904 1.506 -6.304 1.00 0.00 C ATOM 376 C SER A 393 -8.624 2.801 -7.071 1.00 0.00 C ATOM 377 O SER A 393 -7.487 3.049 -7.460 1.00 0.00 O ATOM 378 CB SER A 393 -9.558 0.443 -7.194 1.00 0.00 C ATOM 379 OG SER A 393 -8.646 -0.001 -8.178 1.00 0.00 O ATOM 0 H SER A 393 -10.621 1.232 -5.156 1.00 0.00 H new ATOM 0 HA SER A 393 -7.943 1.119 -5.966 1.00 0.00 H new ATOM 0 HB2 SER A 393 -9.885 -0.400 -6.585 1.00 0.00 H new ATOM 0 HB3 SER A 393 -10.447 0.855 -7.672 1.00 0.00 H new ATOM 0 HG SER A 393 -8.682 0.599 -8.952 1.00 0.00 H new ATOM 385 N GLY A 394 -9.655 3.627 -7.283 1.00 0.00 N ATOM 386 CA GLY A 394 -9.556 4.890 -7.987 1.00 0.00 C ATOM 387 C GLY A 394 -8.585 5.845 -7.299 1.00 0.00 C ATOM 388 O GLY A 394 -7.662 6.347 -7.940 1.00 0.00 O ATOM 0 H GLY A 394 -10.600 3.422 -6.958 1.00 0.00 H new ATOM 0 HA2 GLY A 394 -9.227 4.711 -9.011 1.00 0.00 H new ATOM 0 HA3 GLY A 394 -10.541 5.352 -8.045 1.00 0.00 H new ATOM 392 N VAL A 395 -8.789 6.092 -5.999 1.00 0.00 N ATOM 393 CA VAL A 395 -7.930 6.982 -5.231 1.00 0.00 C ATOM 394 C VAL A 395 -6.476 6.521 -5.332 1.00 0.00 C ATOM 395 O VAL A 395 -5.594 7.341 -5.571 1.00 0.00 O ATOM 396 CB VAL A 395 -8.420 7.116 -3.778 1.00 0.00 C ATOM 397 CG1 VAL A 395 -7.408 7.922 -2.954 1.00 0.00 C ATOM 398 CG2 VAL A 395 -9.764 7.856 -3.746 1.00 0.00 C ATOM 0 H VAL A 395 -9.550 5.681 -5.459 1.00 0.00 H new ATOM 0 HA VAL A 395 -7.982 7.984 -5.656 1.00 0.00 H new ATOM 0 HB VAL A 395 -8.531 6.116 -3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 395 -7.764 8.011 -1.927 1.00 0.00 H new ATOM 0 HG12 VAL A 395 -6.445 7.412 -2.961 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -7.296 8.916 -3.387 1.00 0.00 H new ATOM 0 HG21 VAL A 395 -10.105 7.947 -2.715 1.00 0.00 H new ATOM 0 HG22 VAL A 395 -9.643 8.850 -4.177 1.00 0.00 H new ATOM 0 HG23 VAL A 395 -10.501 7.297 -4.323 1.00 0.00 H new ATOM 408 N ARG A 396 -6.216 5.220 -5.172 1.00 0.00 N ATOM 409 CA ARG A 396 -4.859 4.701 -5.282 1.00 0.00 C ATOM 410 C ARG A 396 -4.317 4.831 -6.714 1.00 0.00 C ATOM 411 O ARG A 396 -3.126 5.078 -6.893 1.00 0.00 O ATOM 412 CB ARG A 396 -4.811 3.246 -4.800 1.00 0.00 C ATOM 413 CG ARG A 396 -5.074 3.154 -3.290 1.00 0.00 C ATOM 414 CD ARG A 396 -5.013 1.711 -2.774 1.00 0.00 C ATOM 415 NE ARG A 396 -3.646 1.163 -2.829 1.00 0.00 N ATOM 416 CZ ARG A 396 -3.133 0.384 -3.798 1.00 0.00 C ATOM 417 NH1 ARG A 396 -3.860 0.048 -4.872 1.00 0.00 N ATOM 418 NH2 ARG A 396 -1.873 -0.058 -3.688 1.00 0.00 N ATOM 0 H ARG A 396 -6.925 4.515 -4.968 1.00 0.00 H new ATOM 0 HA ARG A 396 -4.212 5.301 -4.642 1.00 0.00 H new ATOM 0 HB2 ARG A 396 -5.554 2.657 -5.338 1.00 0.00 H new ATOM 0 HB3 ARG A 396 -3.836 2.816 -5.029 1.00 0.00 H new ATOM 0 HG2 ARG A 396 -4.339 3.759 -2.758 1.00 0.00 H new ATOM 0 HG3 ARG A 396 -6.054 3.575 -3.068 1.00 0.00 H new ATOM 0 HD2 ARG A 396 -5.376 1.678 -1.747 1.00 0.00 H new ATOM 0 HD3 ARG A 396 -5.679 1.085 -3.368 1.00 0.00 H new ATOM 0 HE ARG A 396 -3.026 1.398 -2.054 1.00 0.00 H new ATOM 0 HH11 ARG A 396 -4.819 0.384 -4.964 1.00 0.00 H new ATOM 0 HH12 ARG A 396 -3.455 -0.544 -5.597 1.00 0.00 H new ATOM 0 HH21 ARG A 396 -1.312 0.197 -2.875 1.00 0.00 H new ATOM 0 HH22 ARG A 396 -1.474 -0.649 -4.417 1.00 0.00 H new ATOM 432 N LYS A 397 -5.171 4.655 -7.730 1.00 0.00 N ATOM 433 CA LYS A 397 -4.784 4.716 -9.135 1.00 0.00 C ATOM 434 C LYS A 397 -4.423 6.117 -9.635 1.00 0.00 C ATOM 435 O LYS A 397 -3.459 6.241 -10.389 1.00 0.00 O ATOM 436 CB LYS A 397 -5.851 4.041 -10.005 1.00 0.00 C ATOM 437 CG LYS A 397 -5.337 3.838 -11.440 1.00 0.00 C ATOM 438 CD LYS A 397 -6.273 2.949 -12.266 1.00 0.00 C ATOM 439 CE LYS A 397 -6.054 1.459 -11.974 1.00 0.00 C ATOM 440 NZ LYS A 397 -7.060 0.622 -12.651 1.00 0.00 N ATOM 0 H LYS A 397 -6.163 4.464 -7.591 1.00 0.00 H new ATOM 0 HA LYS A 397 -3.851 4.159 -9.224 1.00 0.00 H new ATOM 0 HB2 LYS A 397 -6.124 3.079 -9.572 1.00 0.00 H new ATOM 0 HB3 LYS A 397 -6.754 4.651 -10.020 1.00 0.00 H new ATOM 0 HG2 LYS A 397 -5.233 4.807 -11.928 1.00 0.00 H new ATOM 0 HG3 LYS A 397 -4.344 3.389 -11.409 1.00 0.00 H new ATOM 0 HD2 LYS A 397 -7.308 3.213 -12.050 1.00 0.00 H new ATOM 0 HD3 LYS A 397 -6.111 3.138 -13.327 1.00 0.00 H new ATOM 0 HE2 LYS A 397 -5.056 1.166 -12.301 1.00 0.00 H new ATOM 0 HE3 LYS A 397 -6.101 1.287 -10.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 -6.681 -0.337 -12.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 -7.921 0.576 -12.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 -7.289 1.035 -13.578 1.00 0.00 H new ATOM 454 N TYR A 398 -5.185 7.154 -9.264 1.00 0.00 N ATOM 455 CA TYR A 398 -4.955 8.515 -9.758 1.00 0.00 C ATOM 456 C TYR A 398 -4.524 9.525 -8.695 1.00 0.00 C ATOM 457 O TYR A 398 -3.992 10.573 -9.052 1.00 0.00 O ATOM 458 CB TYR A 398 -6.205 8.985 -10.510 1.00 0.00 C ATOM 459 CG TYR A 398 -6.712 7.929 -11.472 1.00 0.00 C ATOM 460 CD1 TYR A 398 -6.020 7.659 -12.667 1.00 0.00 C ATOM 461 CD2 TYR A 398 -7.865 7.196 -11.156 1.00 0.00 C ATOM 462 CE1 TYR A 398 -6.486 6.659 -13.537 1.00 0.00 C ATOM 463 CE2 TYR A 398 -8.332 6.201 -12.026 1.00 0.00 C ATOM 464 CZ TYR A 398 -7.645 5.932 -13.218 1.00 0.00 C ATOM 465 OH TYR A 398 -8.099 4.959 -14.062 1.00 0.00 O ATOM 0 H TYR A 398 -5.971 7.074 -8.619 1.00 0.00 H new ATOM 0 HA TYR A 398 -4.098 8.466 -10.430 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -6.989 9.231 -9.794 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -5.977 9.898 -11.060 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -5.131 8.220 -12.915 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -8.396 7.399 -10.238 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -5.952 6.449 -14.452 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -9.222 5.641 -11.778 1.00 0.00 H new ATOM 0 HH TYR A 398 -8.548 5.374 -14.828 1.00 0.00 H new ATOM 475 N GLY A 399 -4.740 9.235 -7.409 1.00 0.00 N ATOM 476 CA GLY A 399 -4.374 10.124 -6.316 1.00 0.00 C ATOM 477 C GLY A 399 -5.588 10.930 -5.861 1.00 0.00 C ATOM 478 O GLY A 399 -6.327 11.468 -6.691 1.00 0.00 O ATOM 0 H GLY A 399 -5.178 8.367 -7.100 1.00 0.00 H new ATOM 0 HA2 GLY A 399 -3.981 9.543 -5.482 1.00 0.00 H new ATOM 0 HA3 GLY A 399 -3.580 10.799 -6.637 1.00 0.00 H new ATOM 482 N GLU A 400 -5.786 11.007 -4.538 1.00 0.00 N ATOM 483 CA GLU A 400 -6.888 11.725 -3.915 1.00 0.00 C ATOM 484 C GLU A 400 -6.925 13.162 -4.435 1.00 0.00 C ATOM 485 O GLU A 400 -5.965 13.910 -4.253 1.00 0.00 O ATOM 486 CB GLU A 400 -6.753 11.667 -2.384 1.00 0.00 C ATOM 487 CG GLU A 400 -8.065 12.102 -1.721 1.00 0.00 C ATOM 488 CD GLU A 400 -8.063 11.936 -0.206 1.00 0.00 C ATOM 489 OE1 GLU A 400 -7.439 10.970 0.283 1.00 0.00 O ATOM 490 OE2 GLU A 400 -8.763 12.723 0.468 1.00 0.00 O ATOM 0 H GLU A 400 -5.166 10.559 -3.863 1.00 0.00 H new ATOM 0 HA GLU A 400 -7.835 11.253 -4.177 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -6.498 10.654 -2.072 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -5.940 12.316 -2.058 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -8.257 13.147 -1.964 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -8.886 11.521 -2.141 1.00 0.00 H new ATOM 497 N GLY A 401 -8.024 13.528 -5.102 1.00 0.00 N ATOM 498 CA GLY A 401 -8.212 14.838 -5.705 1.00 0.00 C ATOM 499 C GLY A 401 -8.688 14.678 -7.146 1.00 0.00 C ATOM 500 O GLY A 401 -9.498 15.474 -7.617 1.00 0.00 O ATOM 0 H GLY A 401 -8.820 12.905 -5.237 1.00 0.00 H new ATOM 0 HA2 GLY A 401 -8.941 15.411 -5.133 1.00 0.00 H new ATOM 0 HA3 GLY A 401 -7.277 15.398 -5.681 1.00 0.00 H new ATOM 504 N ASN A 402 -8.200 13.645 -7.849 1.00 0.00 N ATOM 505 CA ASN A 402 -8.552 13.354 -9.237 1.00 0.00 C ATOM 506 C ASN A 402 -9.907 12.640 -9.316 1.00 0.00 C ATOM 507 O ASN A 402 -10.046 11.601 -9.961 1.00 0.00 O ATOM 508 CB ASN A 402 -7.430 12.529 -9.882 1.00 0.00 C ATOM 509 CG ASN A 402 -6.112 13.297 -9.912 1.00 0.00 C ATOM 510 OD1 ASN A 402 -5.818 13.986 -10.884 1.00 0.00 O ATOM 511 ND2 ASN A 402 -5.317 13.191 -8.848 1.00 0.00 N ATOM 0 H ASN A 402 -7.536 12.978 -7.456 1.00 0.00 H new ATOM 0 HA ASN A 402 -8.655 14.287 -9.792 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -7.297 11.599 -9.328 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -7.716 12.257 -10.898 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -4.429 13.693 -8.823 1.00 0.00 H new ATOM 0 HD22 ASN A 402 -5.596 12.608 -8.059 1.00 0.00 H new ATOM 518 N TRP A 403 -10.913 13.213 -8.648 1.00 0.00 N ATOM 519 CA TRP A 403 -12.267 12.692 -8.573 1.00 0.00 C ATOM 520 C TRP A 403 -12.902 12.550 -9.949 1.00 0.00 C ATOM 521 O TRP A 403 -13.603 11.574 -10.191 1.00 0.00 O ATOM 522 CB TRP A 403 -13.094 13.574 -7.638 1.00 0.00 C ATOM 523 CG TRP A 403 -12.483 13.695 -6.278 1.00 0.00 C ATOM 524 CD1 TRP A 403 -12.008 14.829 -5.717 1.00 0.00 C ATOM 525 CD2 TRP A 403 -12.261 12.641 -5.298 1.00 0.00 C ATOM 526 NE1 TRP A 403 -11.505 14.553 -4.463 1.00 0.00 N ATOM 527 CE2 TRP A 403 -11.636 13.214 -4.154 1.00 0.00 C ATOM 528 CE3 TRP A 403 -12.520 11.254 -5.263 1.00 0.00 C ATOM 529 CZ2 TRP A 403 -11.288 12.448 -3.032 1.00 0.00 C ATOM 530 CZ3 TRP A 403 -12.177 10.477 -4.145 1.00 0.00 C ATOM 531 CH2 TRP A 403 -11.562 11.071 -3.034 1.00 0.00 C ATOM 0 H TRP A 403 -10.795 14.083 -8.129 1.00 0.00 H new ATOM 0 HA TRP A 403 -12.236 11.683 -8.161 1.00 0.00 H new ATOM 0 HB2 TRP A 403 -13.197 14.567 -8.076 1.00 0.00 H new ATOM 0 HB3 TRP A 403 -14.098 13.160 -7.546 1.00 0.00 H new ATOM 0 HD1 TRP A 403 -12.020 15.804 -6.181 1.00 0.00 H new ATOM 0 HE1 TRP A 403 -11.090 15.249 -3.843 1.00 0.00 H new ATOM 0 HE3 TRP A 403 -12.991 10.781 -6.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 403 -10.816 12.911 -2.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 403 -12.388 9.418 -4.141 1.00 0.00 H new ATOM 0 HH2 TRP A 403 -11.298 10.468 -2.178 1.00 0.00 H new ATOM 542 N SER A 404 -12.649 13.503 -10.851 1.00 0.00 N ATOM 543 CA SER A 404 -13.178 13.457 -12.203 1.00 0.00 C ATOM 544 C SER A 404 -12.730 12.169 -12.896 1.00 0.00 C ATOM 545 O SER A 404 -13.556 11.431 -13.426 1.00 0.00 O ATOM 546 CB SER A 404 -12.726 14.701 -12.973 1.00 0.00 C ATOM 547 OG SER A 404 -13.046 15.857 -12.227 1.00 0.00 O ATOM 0 H SER A 404 -12.073 14.322 -10.658 1.00 0.00 H new ATOM 0 HA SER A 404 -14.268 13.455 -12.174 1.00 0.00 H new ATOM 0 HB2 SER A 404 -11.652 14.659 -13.156 1.00 0.00 H new ATOM 0 HB3 SER A 404 -13.214 14.737 -13.947 1.00 0.00 H new ATOM 0 HG SER A 404 -12.756 16.654 -12.718 1.00 0.00 H new ATOM 553 N LYS A 405 -11.420 11.886 -12.881 1.00 0.00 N ATOM 554 CA LYS A 405 -10.868 10.686 -13.493 1.00 0.00 C ATOM 555 C LYS A 405 -11.430 9.429 -12.837 1.00 0.00 C ATOM 556 O LYS A 405 -11.801 8.497 -13.546 1.00 0.00 O ATOM 557 CB LYS A 405 -9.334 10.714 -13.451 1.00 0.00 C ATOM 558 CG LYS A 405 -8.765 11.630 -14.545 1.00 0.00 C ATOM 559 CD LYS A 405 -8.753 10.910 -15.897 1.00 0.00 C ATOM 560 CE LYS A 405 -8.245 11.804 -17.032 1.00 0.00 C ATOM 561 NZ LYS A 405 -8.308 11.099 -18.326 1.00 0.00 N ATOM 0 H LYS A 405 -10.721 12.486 -12.443 1.00 0.00 H new ATOM 0 HA LYS A 405 -11.168 10.664 -14.541 1.00 0.00 H new ATOM 0 HB2 LYS A 405 -9.001 11.061 -12.473 1.00 0.00 H new ATOM 0 HB3 LYS A 405 -8.946 9.704 -13.580 1.00 0.00 H new ATOM 0 HG2 LYS A 405 -9.364 12.538 -14.615 1.00 0.00 H new ATOM 0 HG3 LYS A 405 -7.753 11.936 -14.281 1.00 0.00 H new ATOM 0 HD2 LYS A 405 -8.123 10.023 -15.827 1.00 0.00 H new ATOM 0 HD3 LYS A 405 -9.761 10.567 -16.132 1.00 0.00 H new ATOM 0 HE2 LYS A 405 -8.844 12.714 -17.079 1.00 0.00 H new ATOM 0 HE3 LYS A 405 -7.218 12.108 -16.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 -7.912 11.706 -19.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 -7.759 10.218 -18.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 -9.298 10.875 -18.552 1.00 0.00 H new ATOM 575 N ILE A 406 -11.507 9.400 -11.500 1.00 0.00 N ATOM 576 CA ILE A 406 -12.058 8.258 -10.782 1.00 0.00 C ATOM 577 C ILE A 406 -13.486 8.003 -11.274 1.00 0.00 C ATOM 578 O ILE A 406 -13.790 6.909 -11.740 1.00 0.00 O ATOM 579 CB ILE A 406 -11.991 8.492 -9.261 1.00 0.00 C ATOM 580 CG1 ILE A 406 -10.523 8.485 -8.807 1.00 0.00 C ATOM 581 CG2 ILE A 406 -12.775 7.408 -8.507 1.00 0.00 C ATOM 582 CD1 ILE A 406 -10.326 8.952 -7.364 1.00 0.00 C ATOM 0 H ILE A 406 -11.192 10.160 -10.898 1.00 0.00 H new ATOM 0 HA ILE A 406 -11.465 7.366 -10.983 1.00 0.00 H new ATOM 0 HB ILE A 406 -12.441 9.459 -9.036 1.00 0.00 H new ATOM 0 HG12 ILE A 406 -10.124 7.476 -8.911 1.00 0.00 H new ATOM 0 HG13 ILE A 406 -9.943 9.127 -9.470 1.00 0.00 H new ATOM 0 HG21 ILE A 406 -12.713 7.594 -7.435 1.00 0.00 H new ATOM 0 HG22 ILE A 406 -13.819 7.430 -8.820 1.00 0.00 H new ATOM 0 HG23 ILE A 406 -12.350 6.430 -8.731 1.00 0.00 H new ATOM 0 HD11 ILE A 406 -9.266 8.921 -7.113 1.00 0.00 H new ATOM 0 HD12 ILE A 406 -10.694 9.973 -7.258 1.00 0.00 H new ATOM 0 HD13 ILE A 406 -10.878 8.296 -6.691 1.00 0.00 H new ATOM 594 N LEU A 407 -14.348 9.018 -11.171 1.00 0.00 N ATOM 595 CA LEU A 407 -15.746 8.988 -11.577 1.00 0.00 C ATOM 596 C LEU A 407 -15.911 8.514 -13.022 1.00 0.00 C ATOM 597 O LEU A 407 -16.773 7.686 -13.302 1.00 0.00 O ATOM 598 CB LEU A 407 -16.349 10.383 -11.344 1.00 0.00 C ATOM 599 CG LEU A 407 -17.872 10.475 -11.548 1.00 0.00 C ATOM 600 CD1 LEU A 407 -18.422 11.614 -10.681 1.00 0.00 C ATOM 601 CD2 LEU A 407 -18.261 10.769 -13.005 1.00 0.00 C ATOM 0 H LEU A 407 -14.073 9.921 -10.784 1.00 0.00 H new ATOM 0 HA LEU A 407 -16.287 8.261 -10.972 1.00 0.00 H new ATOM 0 HB2 LEU A 407 -16.114 10.699 -10.328 1.00 0.00 H new ATOM 0 HB3 LEU A 407 -15.864 11.089 -12.018 1.00 0.00 H new ATOM 0 HG LEU A 407 -18.290 9.507 -11.271 1.00 0.00 H new ATOM 0 HD11 LEU A 407 -19.501 11.688 -10.818 1.00 0.00 H new ATOM 0 HD12 LEU A 407 -18.203 11.412 -9.633 1.00 0.00 H new ATOM 0 HD13 LEU A 407 -17.954 12.554 -10.975 1.00 0.00 H new ATOM 0 HD21 LEU A 407 -19.347 10.823 -13.088 1.00 0.00 H new ATOM 0 HD22 LEU A 407 -17.826 11.720 -13.313 1.00 0.00 H new ATOM 0 HD23 LEU A 407 -17.887 9.973 -13.649 1.00 0.00 H new ATOM 613 N LEU A 408 -15.099 9.045 -13.943 1.00 0.00 N ATOM 614 CA LEU A 408 -15.164 8.703 -15.357 1.00 0.00 C ATOM 615 C LEU A 408 -14.740 7.264 -15.644 1.00 0.00 C ATOM 616 O LEU A 408 -15.441 6.538 -16.347 1.00 0.00 O ATOM 617 CB LEU A 408 -14.272 9.664 -16.167 1.00 0.00 C ATOM 618 CG LEU A 408 -14.860 11.082 -16.281 1.00 0.00 C ATOM 619 CD1 LEU A 408 -13.771 12.042 -16.774 1.00 0.00 C ATOM 620 CD2 LEU A 408 -16.047 11.132 -17.252 1.00 0.00 C ATOM 0 H LEU A 408 -14.375 9.728 -13.720 1.00 0.00 H new ATOM 0 HA LEU A 408 -16.208 8.800 -15.655 1.00 0.00 H new ATOM 0 HB2 LEU A 408 -13.290 9.721 -15.698 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -14.124 9.257 -17.167 1.00 0.00 H new ATOM 0 HG LEU A 408 -15.217 11.376 -15.294 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -14.183 13.048 -16.856 1.00 0.00 H new ATOM 0 HD12 LEU A 408 -12.942 12.046 -16.066 1.00 0.00 H new ATOM 0 HD13 LEU A 408 -13.413 11.715 -17.750 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -16.432 12.150 -17.303 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -15.720 10.817 -18.243 1.00 0.00 H new ATOM 0 HD23 LEU A 408 -16.833 10.464 -16.900 1.00 0.00 H new ATOM 632 N HIS A 409 -13.569 6.872 -15.143 1.00 0.00 N ATOM 633 CA HIS A 409 -12.983 5.568 -15.409 1.00 0.00 C ATOM 634 C HIS A 409 -13.687 4.427 -14.673 1.00 0.00 C ATOM 635 O HIS A 409 -13.990 3.404 -15.285 1.00 0.00 O ATOM 636 CB HIS A 409 -11.480 5.623 -15.110 1.00 0.00 C ATOM 637 CG HIS A 409 -10.719 6.625 -15.955 1.00 0.00 C ATOM 638 ND1 HIS A 409 -9.339 6.594 -16.061 1.00 0.00 N ATOM 639 CD2 HIS A 409 -11.105 7.690 -16.742 1.00 0.00 C ATOM 640 CE1 HIS A 409 -8.978 7.601 -16.874 1.00 0.00 C ATOM 641 NE2 HIS A 409 -10.008 8.310 -17.326 1.00 0.00 N ATOM 0 H HIS A 409 -12.998 7.460 -14.536 1.00 0.00 H new ATOM 0 HA HIS A 409 -13.127 5.339 -16.465 1.00 0.00 H new ATOM 0 HB2 HIS A 409 -11.338 5.869 -14.058 1.00 0.00 H new ATOM 0 HB3 HIS A 409 -11.053 4.633 -15.266 1.00 0.00 H new ATOM 0 HD2 HIS A 409 -12.129 8.002 -16.886 1.00 0.00 H new ATOM 0 HE1 HIS A 409 -7.952 7.814 -17.135 1.00 0.00 H new ATOM 0 HE2 HIS A 409 -9.995 9.116 -17.951 1.00 0.00 H new ATOM 649 N TYR A 410 -13.942 4.587 -13.370 1.00 0.00 N ATOM 650 CA TYR A 410 -14.604 3.572 -12.560 1.00 0.00 C ATOM 651 C TYR A 410 -16.120 3.759 -12.589 1.00 0.00 C ATOM 652 O TYR A 410 -16.619 4.829 -12.926 1.00 0.00 O ATOM 653 CB TYR A 410 -14.056 3.582 -11.131 1.00 0.00 C ATOM 654 CG TYR A 410 -12.722 2.880 -10.992 1.00 0.00 C ATOM 655 CD1 TYR A 410 -12.686 1.494 -10.749 1.00 0.00 C ATOM 656 CD2 TYR A 410 -11.521 3.601 -11.113 1.00 0.00 C ATOM 657 CE1 TYR A 410 -11.454 0.831 -10.626 1.00 0.00 C ATOM 658 CE2 TYR A 410 -10.290 2.934 -10.993 1.00 0.00 C ATOM 659 CZ TYR A 410 -10.256 1.553 -10.750 1.00 0.00 C ATOM 660 OH TYR A 410 -9.055 0.915 -10.640 1.00 0.00 O ATOM 0 H TYR A 410 -13.692 5.429 -12.851 1.00 0.00 H new ATOM 0 HA TYR A 410 -14.390 2.592 -12.986 1.00 0.00 H new ATOM 0 HB2 TYR A 410 -13.951 4.614 -10.798 1.00 0.00 H new ATOM 0 HB3 TYR A 410 -14.779 3.105 -10.469 1.00 0.00 H new ATOM 0 HD1 TYR A 410 -13.608 0.939 -10.657 1.00 0.00 H new ATOM 0 HD2 TYR A 410 -11.545 4.665 -11.298 1.00 0.00 H new ATOM 0 HE1 TYR A 410 -11.428 -0.232 -10.436 1.00 0.00 H new ATOM 0 HE2 TYR A 410 -9.367 3.487 -11.088 1.00 0.00 H new ATOM 0 HH TYR A 410 -9.190 -0.053 -10.716 1.00 0.00 H new ATOM 670 N LYS A 411 -16.853 2.696 -12.244 1.00 0.00 N ATOM 671 CA LYS A 411 -18.308 2.688 -12.236 1.00 0.00 C ATOM 672 C LYS A 411 -18.839 3.045 -10.848 1.00 0.00 C ATOM 673 O LYS A 411 -18.296 2.597 -9.840 1.00 0.00 O ATOM 674 CB LYS A 411 -18.826 1.310 -12.671 1.00 0.00 C ATOM 675 CG LYS A 411 -18.221 0.797 -13.989 1.00 0.00 C ATOM 676 CD LYS A 411 -18.318 1.773 -15.172 1.00 0.00 C ATOM 677 CE LYS A 411 -19.769 2.134 -15.516 1.00 0.00 C ATOM 678 NZ LYS A 411 -19.839 3.038 -16.680 1.00 0.00 N ATOM 0 H LYS A 411 -16.441 1.807 -11.959 1.00 0.00 H new ATOM 0 HA LYS A 411 -18.667 3.438 -12.941 1.00 0.00 H new ATOM 0 HB2 LYS A 411 -18.614 0.589 -11.882 1.00 0.00 H new ATOM 0 HB3 LYS A 411 -19.910 1.358 -12.776 1.00 0.00 H new ATOM 0 HG2 LYS A 411 -17.171 0.558 -13.820 1.00 0.00 H new ATOM 0 HG3 LYS A 411 -18.720 -0.133 -14.263 1.00 0.00 H new ATOM 0 HD2 LYS A 411 -17.767 2.683 -14.935 1.00 0.00 H new ATOM 0 HD3 LYS A 411 -17.840 1.329 -16.045 1.00 0.00 H new ATOM 0 HE2 LYS A 411 -20.332 1.224 -15.726 1.00 0.00 H new ATOM 0 HE3 LYS A 411 -20.241 2.609 -14.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 -20.833 3.262 -16.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 -19.322 3.916 -16.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 -19.411 2.574 -17.506 1.00 0.00 H new ATOM 692 N PHE A 412 -19.908 3.846 -10.811 1.00 0.00 N ATOM 693 CA PHE A 412 -20.582 4.293 -9.602 1.00 0.00 C ATOM 694 C PHE A 412 -22.042 4.548 -9.977 1.00 0.00 C ATOM 695 O PHE A 412 -22.316 4.949 -11.109 1.00 0.00 O ATOM 696 CB PHE A 412 -19.934 5.580 -9.077 1.00 0.00 C ATOM 697 CG PHE A 412 -18.474 5.459 -8.690 1.00 0.00 C ATOM 698 CD1 PHE A 412 -18.118 4.868 -7.463 1.00 0.00 C ATOM 699 CD2 PHE A 412 -17.471 5.934 -9.554 1.00 0.00 C ATOM 700 CE1 PHE A 412 -16.765 4.758 -7.102 1.00 0.00 C ATOM 701 CE2 PHE A 412 -16.120 5.823 -9.188 1.00 0.00 C ATOM 702 CZ PHE A 412 -15.763 5.238 -7.961 1.00 0.00 C ATOM 0 H PHE A 412 -20.340 4.212 -11.660 1.00 0.00 H new ATOM 0 HA PHE A 412 -20.508 3.543 -8.814 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -20.028 6.352 -9.841 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -20.496 5.922 -8.208 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -18.886 4.499 -6.799 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -17.740 6.384 -10.498 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -16.494 4.303 -6.161 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -15.351 6.189 -9.853 1.00 0.00 H new ATOM 0 HZ PHE A 412 -14.723 5.158 -7.680 1.00 0.00 H new ATOM 712 N ASN A 413 -22.978 4.321 -9.050 1.00 0.00 N ATOM 713 CA ASN A 413 -24.403 4.520 -9.297 1.00 0.00 C ATOM 714 C ASN A 413 -24.749 6.004 -9.192 1.00 0.00 C ATOM 715 O ASN A 413 -25.449 6.427 -8.274 1.00 0.00 O ATOM 716 CB ASN A 413 -25.248 3.660 -8.344 1.00 0.00 C ATOM 717 CG ASN A 413 -25.099 2.171 -8.646 1.00 0.00 C ATOM 718 OD1 ASN A 413 -25.949 1.581 -9.309 1.00 0.00 O ATOM 719 ND2 ASN A 413 -24.020 1.560 -8.166 1.00 0.00 N ATOM 0 H ASN A 413 -22.765 3.994 -8.108 1.00 0.00 H new ATOM 0 HA ASN A 413 -24.639 4.194 -10.310 1.00 0.00 H new ATOM 0 HB2 ASN A 413 -24.947 3.855 -7.315 1.00 0.00 H new ATOM 0 HB3 ASN A 413 -26.296 3.946 -8.429 1.00 0.00 H new ATOM 0 HD21 ASN A 413 -23.875 0.566 -8.344 1.00 0.00 H new ATOM 0 HD22 ASN A 413 -23.337 2.085 -7.620 1.00 0.00 H new ATOM 726 N ASN A 414 -24.246 6.789 -10.152 1.00 0.00 N ATOM 727 CA ASN A 414 -24.445 8.228 -10.262 1.00 0.00 C ATOM 728 C ASN A 414 -24.067 8.945 -8.963 1.00 0.00 C ATOM 729 O ASN A 414 -24.880 9.654 -8.373 1.00 0.00 O ATOM 730 CB ASN A 414 -25.884 8.524 -10.717 1.00 0.00 C ATOM 731 CG ASN A 414 -26.108 9.998 -11.054 1.00 0.00 C ATOM 732 OD1 ASN A 414 -25.161 10.756 -11.250 1.00 0.00 O ATOM 733 ND2 ASN A 414 -27.371 10.414 -11.133 1.00 0.00 N ATOM 0 H ASN A 414 -23.665 6.417 -10.903 1.00 0.00 H new ATOM 0 HA ASN A 414 -23.775 8.625 -11.024 1.00 0.00 H new ATOM 0 HB2 ASN A 414 -26.115 7.917 -11.592 1.00 0.00 H new ATOM 0 HB3 ASN A 414 -26.577 8.227 -9.930 1.00 0.00 H new ATOM 0 HD21 ASN A 414 -27.574 11.387 -11.362 1.00 0.00 H new ATOM 0 HD22 ASN A 414 -28.135 9.760 -10.965 1.00 0.00 H new ATOM 740 N ARG A 415 -22.818 8.756 -8.524 1.00 0.00 N ATOM 741 CA ARG A 415 -22.277 9.375 -7.322 1.00 0.00 C ATOM 742 C ARG A 415 -21.358 10.505 -7.792 1.00 0.00 C ATOM 743 O ARG A 415 -20.381 10.252 -8.493 1.00 0.00 O ATOM 744 CB ARG A 415 -21.541 8.339 -6.455 1.00 0.00 C ATOM 745 CG ARG A 415 -22.310 7.021 -6.236 1.00 0.00 C ATOM 746 CD ARG A 415 -23.745 7.176 -5.719 1.00 0.00 C ATOM 747 NE ARG A 415 -23.813 7.698 -4.348 1.00 0.00 N ATOM 748 CZ ARG A 415 -24.953 8.114 -3.766 1.00 0.00 C ATOM 749 NH1 ARG A 415 -26.097 8.151 -4.464 1.00 0.00 N ATOM 750 NH2 ARG A 415 -24.955 8.483 -2.479 1.00 0.00 N ATOM 0 H ARG A 415 -22.148 8.157 -9.007 1.00 0.00 H new ATOM 0 HA ARG A 415 -23.067 9.777 -6.687 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -20.582 8.111 -6.920 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -21.326 8.785 -5.484 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -22.338 6.475 -7.179 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -21.751 6.407 -5.529 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -24.293 7.844 -6.383 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -24.245 6.208 -5.758 1.00 0.00 H new ATOM 0 HE ARG A 415 -22.949 7.748 -3.808 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -26.107 7.863 -5.442 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -26.957 8.467 -4.017 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -24.091 8.449 -1.937 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -25.820 8.798 -2.040 1.00 0.00 H new ATOM 764 N THR A 416 -21.688 11.750 -7.433 1.00 0.00 N ATOM 765 CA THR A 416 -20.942 12.938 -7.835 1.00 0.00 C ATOM 766 C THR A 416 -19.541 12.981 -7.226 1.00 0.00 C ATOM 767 O THR A 416 -19.296 12.360 -6.196 1.00 0.00 O ATOM 768 CB THR A 416 -21.700 14.200 -7.397 1.00 0.00 C ATOM 769 OG1 THR A 416 -21.723 14.287 -5.983 1.00 0.00 O ATOM 770 CG2 THR A 416 -23.130 14.247 -7.949 1.00 0.00 C ATOM 0 H THR A 416 -22.495 11.960 -6.845 1.00 0.00 H new ATOM 0 HA THR A 416 -20.842 12.898 -8.920 1.00 0.00 H new ATOM 0 HB THR A 416 -21.166 15.056 -7.811 1.00 0.00 H new ATOM 0 HG1 THR A 416 -22.207 15.095 -5.713 1.00 0.00 H new ATOM 0 HG21 THR A 416 -23.621 15.159 -7.610 1.00 0.00 H new ATOM 0 HG22 THR A 416 -23.100 14.235 -9.039 1.00 0.00 H new ATOM 0 HG23 THR A 416 -23.687 13.381 -7.592 1.00 0.00 H new ATOM 778 N SER A 417 -18.634 13.751 -7.840 1.00 0.00 N ATOM 779 CA SER A 417 -17.272 13.948 -7.354 1.00 0.00 C ATOM 780 C SER A 417 -17.291 14.415 -5.894 1.00 0.00 C ATOM 781 O SER A 417 -16.450 14.008 -5.092 1.00 0.00 O ATOM 782 CB SER A 417 -16.566 14.978 -8.240 1.00 0.00 C ATOM 783 OG SER A 417 -16.590 14.543 -9.585 1.00 0.00 O ATOM 0 H SER A 417 -18.834 14.260 -8.701 1.00 0.00 H new ATOM 0 HA SER A 417 -16.729 13.004 -7.400 1.00 0.00 H new ATOM 0 HB2 SER A 417 -17.058 15.947 -8.152 1.00 0.00 H new ATOM 0 HB3 SER A 417 -15.536 15.112 -7.909 1.00 0.00 H new ATOM 0 HG SER A 417 -16.139 15.204 -10.151 1.00 0.00 H new ATOM 789 N VAL A 418 -18.273 15.258 -5.552 1.00 0.00 N ATOM 790 CA VAL A 418 -18.471 15.766 -4.204 1.00 0.00 C ATOM 791 C VAL A 418 -18.788 14.582 -3.287 1.00 0.00 C ATOM 792 O VAL A 418 -18.186 14.456 -2.224 1.00 0.00 O ATOM 793 CB VAL A 418 -19.591 16.823 -4.195 1.00 0.00 C ATOM 794 CG1 VAL A 418 -19.852 17.336 -2.773 1.00 0.00 C ATOM 795 CG2 VAL A 418 -19.220 18.015 -5.088 1.00 0.00 C ATOM 0 H VAL A 418 -18.959 15.607 -6.221 1.00 0.00 H new ATOM 0 HA VAL A 418 -17.570 16.259 -3.840 1.00 0.00 H new ATOM 0 HB VAL A 418 -20.492 16.344 -4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 418 -20.647 18.081 -2.795 1.00 0.00 H new ATOM 0 HG12 VAL A 418 -20.152 16.504 -2.135 1.00 0.00 H new ATOM 0 HG13 VAL A 418 -18.943 17.788 -2.376 1.00 0.00 H new ATOM 0 HG21 VAL A 418 -20.025 18.750 -5.067 1.00 0.00 H new ATOM 0 HG22 VAL A 418 -18.301 18.473 -4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 418 -19.070 17.670 -6.111 1.00 0.00 H new ATOM 805 N MET A 419 -19.715 13.709 -3.702 1.00 0.00 N ATOM 806 CA MET A 419 -20.079 12.531 -2.928 1.00 0.00 C ATOM 807 C MET A 419 -18.865 11.608 -2.757 1.00 0.00 C ATOM 808 O MET A 419 -18.648 11.099 -1.662 1.00 0.00 O ATOM 809 CB MET A 419 -21.284 11.822 -3.562 1.00 0.00 C ATOM 810 CG MET A 419 -21.898 10.737 -2.663 1.00 0.00 C ATOM 811 SD MET A 419 -23.299 11.203 -1.602 1.00 0.00 S ATOM 812 CE MET A 419 -22.522 12.321 -0.413 1.00 0.00 C ATOM 0 H MET A 419 -20.227 13.805 -4.579 1.00 0.00 H new ATOM 0 HA MET A 419 -20.387 12.836 -1.928 1.00 0.00 H new ATOM 0 HB2 MET A 419 -22.048 12.562 -3.799 1.00 0.00 H new ATOM 0 HB3 MET A 419 -20.975 11.370 -4.505 1.00 0.00 H new ATOM 0 HG2 MET A 419 -22.222 9.916 -3.303 1.00 0.00 H new ATOM 0 HG3 MET A 419 -21.108 10.348 -2.021 1.00 0.00 H new ATOM 0 HE1 MET A 419 -23.147 12.398 0.477 1.00 0.00 H new ATOM 0 HE2 MET A 419 -21.542 11.933 -0.135 1.00 0.00 H new ATOM 0 HE3 MET A 419 -22.408 13.308 -0.862 1.00 0.00 H new ATOM 822 N LEU A 420 -18.064 11.404 -3.815 1.00 0.00 N ATOM 823 CA LEU A 420 -16.859 10.581 -3.753 1.00 0.00 C ATOM 824 C LEU A 420 -15.953 11.126 -2.644 1.00 0.00 C ATOM 825 O LEU A 420 -15.560 10.386 -1.742 1.00 0.00 O ATOM 826 CB LEU A 420 -16.096 10.586 -5.094 1.00 0.00 C ATOM 827 CG LEU A 420 -16.513 9.516 -6.117 1.00 0.00 C ATOM 828 CD1 LEU A 420 -17.908 9.727 -6.702 1.00 0.00 C ATOM 829 CD2 LEU A 420 -15.506 9.477 -7.270 1.00 0.00 C ATOM 0 H LEU A 420 -18.239 11.808 -4.735 1.00 0.00 H new ATOM 0 HA LEU A 420 -17.150 9.552 -3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 420 -16.219 11.566 -5.554 1.00 0.00 H new ATOM 0 HB3 LEU A 420 -15.033 10.463 -4.884 1.00 0.00 H new ATOM 0 HG LEU A 420 -16.531 8.574 -5.569 1.00 0.00 H new ATOM 0 HD11 LEU A 420 -18.128 8.932 -7.414 1.00 0.00 H new ATOM 0 HD12 LEU A 420 -18.646 9.710 -5.900 1.00 0.00 H new ATOM 0 HD13 LEU A 420 -17.948 10.690 -7.210 1.00 0.00 H new ATOM 0 HD21 LEU A 420 -15.807 8.717 -7.991 1.00 0.00 H new ATOM 0 HD22 LEU A 420 -15.476 10.450 -7.760 1.00 0.00 H new ATOM 0 HD23 LEU A 420 -14.517 9.236 -6.881 1.00 0.00 H new ATOM 841 N LYS A 421 -15.634 12.425 -2.717 1.00 0.00 N ATOM 842 CA LYS A 421 -14.790 13.111 -1.748 1.00 0.00 C ATOM 843 C LYS A 421 -15.344 12.977 -0.327 1.00 0.00 C ATOM 844 O LYS A 421 -14.594 12.641 0.585 1.00 0.00 O ATOM 845 CB LYS A 421 -14.627 14.585 -2.159 1.00 0.00 C ATOM 846 CG LYS A 421 -13.889 15.463 -1.133 1.00 0.00 C ATOM 847 CD LYS A 421 -12.462 14.972 -0.845 1.00 0.00 C ATOM 848 CE LYS A 421 -11.737 15.830 0.199 1.00 0.00 C ATOM 849 NZ LYS A 421 -11.465 17.197 -0.287 1.00 0.00 N ATOM 0 H LYS A 421 -15.964 13.033 -3.466 1.00 0.00 H new ATOM 0 HA LYS A 421 -13.807 12.641 -1.743 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -14.088 14.626 -3.106 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -15.615 15.010 -2.336 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -13.848 16.488 -1.502 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -14.457 15.481 -0.203 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -12.501 13.940 -0.496 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -11.888 14.974 -1.772 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -12.341 15.883 1.105 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -10.797 15.350 0.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -10.929 17.722 0.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -10.909 17.149 -1.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -12.365 17.685 -0.473 1.00 0.00 H new ATOM 863 N ASP A 422 -16.639 13.247 -0.135 1.00 0.00 N ATOM 864 CA ASP A 422 -17.296 13.175 1.163 1.00 0.00 C ATOM 865 C ASP A 422 -17.192 11.772 1.762 1.00 0.00 C ATOM 866 O ASP A 422 -16.688 11.595 2.870 1.00 0.00 O ATOM 867 CB ASP A 422 -18.763 13.594 1.027 1.00 0.00 C ATOM 868 CG ASP A 422 -19.505 13.407 2.347 1.00 0.00 C ATOM 869 OD1 ASP A 422 -19.084 14.055 3.328 1.00 0.00 O ATOM 870 OD2 ASP A 422 -20.458 12.598 2.353 1.00 0.00 O ATOM 0 H ASP A 422 -17.265 13.525 -0.891 1.00 0.00 H new ATOM 0 HA ASP A 422 -16.790 13.861 1.842 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -18.821 14.637 0.717 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -19.244 13.003 0.248 1.00 0.00 H new ATOM 875 N ARG A 423 -17.673 10.771 1.022 1.00 0.00 N ATOM 876 CA ARG A 423 -17.661 9.380 1.438 1.00 0.00 C ATOM 877 C ARG A 423 -16.241 8.970 1.837 1.00 0.00 C ATOM 878 O ARG A 423 -16.024 8.442 2.927 1.00 0.00 O ATOM 879 CB ARG A 423 -18.225 8.518 0.297 1.00 0.00 C ATOM 880 CG ARG A 423 -18.830 7.188 0.754 1.00 0.00 C ATOM 881 CD ARG A 423 -17.843 6.223 1.412 1.00 0.00 C ATOM 882 NE ARG A 423 -18.345 4.842 1.386 1.00 0.00 N ATOM 883 CZ ARG A 423 -19.365 4.344 2.103 1.00 0.00 C ATOM 884 NH1 ARG A 423 -20.041 5.127 2.952 1.00 0.00 N ATOM 885 NH2 ARG A 423 -19.705 3.056 1.972 1.00 0.00 N ATOM 0 H ARG A 423 -18.088 10.914 0.101 1.00 0.00 H new ATOM 0 HA ARG A 423 -18.292 9.232 2.315 1.00 0.00 H new ATOM 0 HB2 ARG A 423 -18.989 9.089 -0.231 1.00 0.00 H new ATOM 0 HB3 ARG A 423 -17.428 8.315 -0.418 1.00 0.00 H new ATOM 0 HG2 ARG A 423 -19.636 7.395 1.457 1.00 0.00 H new ATOM 0 HG3 ARG A 423 -19.278 6.694 -0.108 1.00 0.00 H new ATOM 0 HD2 ARG A 423 -16.884 6.273 0.896 1.00 0.00 H new ATOM 0 HD3 ARG A 423 -17.666 6.528 2.443 1.00 0.00 H new ATOM 0 HE ARG A 423 -17.869 4.195 0.758 1.00 0.00 H new ATOM 0 HH11 ARG A 423 -19.782 6.108 3.057 1.00 0.00 H new ATOM 0 HH12 ARG A 423 -20.815 4.743 3.494 1.00 0.00 H new ATOM 0 HH21 ARG A 423 -19.190 2.455 1.329 1.00 0.00 H new ATOM 0 HH22 ARG A 423 -20.480 2.675 2.516 1.00 0.00 H new ATOM 899 N TRP A 424 -15.275 9.230 0.950 1.00 0.00 N ATOM 900 CA TRP A 424 -13.879 8.904 1.170 1.00 0.00 C ATOM 901 C TRP A 424 -13.307 9.580 2.417 1.00 0.00 C ATOM 902 O TRP A 424 -12.792 8.900 3.303 1.00 0.00 O ATOM 903 CB TRP A 424 -13.061 9.293 -0.060 1.00 0.00 C ATOM 904 CG TRP A 424 -11.622 8.911 0.040 1.00 0.00 C ATOM 905 CD1 TRP A 424 -10.593 9.760 0.244 1.00 0.00 C ATOM 906 CD2 TRP A 424 -11.033 7.584 -0.056 1.00 0.00 C ATOM 907 NE1 TRP A 424 -9.406 9.059 0.277 1.00 0.00 N ATOM 908 CE2 TRP A 424 -9.621 7.706 0.095 1.00 0.00 C ATOM 909 CE3 TRP A 424 -11.551 6.289 -0.259 1.00 0.00 C ATOM 910 CZ2 TRP A 424 -8.766 6.597 0.043 1.00 0.00 C ATOM 911 CZ3 TRP A 424 -10.704 5.171 -0.312 1.00 0.00 C ATOM 912 CH2 TRP A 424 -9.313 5.321 -0.165 1.00 0.00 C ATOM 0 H TRP A 424 -15.452 9.678 0.051 1.00 0.00 H new ATOM 0 HA TRP A 424 -13.817 7.828 1.335 1.00 0.00 H new ATOM 0 HB2 TRP A 424 -13.495 8.819 -0.940 1.00 0.00 H new ATOM 0 HB3 TRP A 424 -13.134 10.370 -0.210 1.00 0.00 H new ATOM 0 HD1 TRP A 424 -10.685 10.829 0.364 1.00 0.00 H new ATOM 0 HE1 TRP A 424 -8.489 9.484 0.417 1.00 0.00 H new ATOM 0 HE3 TRP A 424 -12.616 6.155 -0.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 424 -7.700 6.722 0.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 424 -11.123 4.188 -0.467 1.00 0.00 H new ATOM 0 HH2 TRP A 424 -8.667 4.456 -0.212 1.00 0.00 H new ATOM 923 N ARG A 425 -13.373 10.916 2.489 1.00 0.00 N ATOM 924 CA ARG A 425 -12.830 11.653 3.620 1.00 0.00 C ATOM 925 C ARG A 425 -13.477 11.218 4.929 1.00 0.00 C ATOM 926 O ARG A 425 -12.802 11.230 5.955 1.00 0.00 O ATOM 927 CB ARG A 425 -12.838 13.176 3.391 1.00 0.00 C ATOM 928 CG ARG A 425 -14.189 13.885 3.576 1.00 0.00 C ATOM 929 CD ARG A 425 -14.576 14.250 5.020 1.00 0.00 C ATOM 930 NE ARG A 425 -13.695 15.275 5.601 1.00 0.00 N ATOM 931 CZ ARG A 425 -12.681 15.080 6.462 1.00 0.00 C ATOM 932 NH1 ARG A 425 -12.281 13.850 6.816 1.00 0.00 N ATOM 933 NH2 ARG A 425 -12.049 16.143 6.977 1.00 0.00 N ATOM 0 H ARG A 425 -13.800 11.503 1.772 1.00 0.00 H new ATOM 0 HA ARG A 425 -11.775 11.394 3.708 1.00 0.00 H new ATOM 0 HB2 ARG A 425 -12.118 13.628 4.073 1.00 0.00 H new ATOM 0 HB3 ARG A 425 -12.485 13.372 2.379 1.00 0.00 H new ATOM 0 HG2 ARG A 425 -14.179 14.800 2.983 1.00 0.00 H new ATOM 0 HG3 ARG A 425 -14.970 13.246 3.164 1.00 0.00 H new ATOM 0 HD2 ARG A 425 -15.605 14.609 5.036 1.00 0.00 H new ATOM 0 HD3 ARG A 425 -14.541 13.353 5.639 1.00 0.00 H new ATOM 0 HE ARG A 425 -13.873 16.239 5.320 1.00 0.00 H new ATOM 0 HH11 ARG A 425 -12.749 13.030 6.430 1.00 0.00 H new ATOM 0 HH12 ARG A 425 -11.508 13.734 7.472 1.00 0.00 H new ATOM 0 HH21 ARG A 425 -12.339 17.085 6.715 1.00 0.00 H new ATOM 0 HH22 ARG A 425 -11.278 16.010 7.631 1.00 0.00 H new ATOM 947 N THR A 426 -14.762 10.838 4.907 1.00 0.00 N ATOM 948 CA THR A 426 -15.460 10.389 6.102 1.00 0.00 C ATOM 949 C THR A 426 -14.789 9.124 6.638 1.00 0.00 C ATOM 950 O THR A 426 -14.379 9.104 7.798 1.00 0.00 O ATOM 951 CB THR A 426 -16.959 10.203 5.825 1.00 0.00 C ATOM 952 OG1 THR A 426 -17.530 11.459 5.528 1.00 0.00 O ATOM 953 CG2 THR A 426 -17.695 9.634 7.043 1.00 0.00 C ATOM 0 H THR A 426 -15.336 10.836 4.064 1.00 0.00 H new ATOM 0 HA THR A 426 -15.391 11.151 6.878 1.00 0.00 H new ATOM 0 HB THR A 426 -17.058 9.506 4.993 1.00 0.00 H new ATOM 0 HG1 THR A 426 -17.348 11.688 4.593 1.00 0.00 H new ATOM 0 HG21 THR A 426 -18.753 9.517 6.807 1.00 0.00 H new ATOM 0 HG22 THR A 426 -17.272 8.664 7.303 1.00 0.00 H new ATOM 0 HG23 THR A 426 -17.585 10.316 7.886 1.00 0.00 H new ATOM 961 N MET A 427 -14.656 8.074 5.816 1.00 0.00 N ATOM 962 CA MET A 427 -14.010 6.849 6.277 1.00 0.00 C ATOM 963 C MET A 427 -12.540 7.090 6.641 1.00 0.00 C ATOM 964 O MET A 427 -12.032 6.479 7.583 1.00 0.00 O ATOM 965 CB MET A 427 -14.199 5.681 5.297 1.00 0.00 C ATOM 966 CG MET A 427 -13.650 5.927 3.887 1.00 0.00 C ATOM 967 SD MET A 427 -13.569 4.464 2.819 1.00 0.00 S ATOM 968 CE MET A 427 -15.270 3.865 2.920 1.00 0.00 C ATOM 0 H MET A 427 -14.981 8.051 4.849 1.00 0.00 H new ATOM 0 HA MET A 427 -14.514 6.546 7.195 1.00 0.00 H new ATOM 0 HB2 MET A 427 -13.715 4.797 5.711 1.00 0.00 H new ATOM 0 HB3 MET A 427 -15.263 5.456 5.223 1.00 0.00 H new ATOM 0 HG2 MET A 427 -14.271 6.678 3.399 1.00 0.00 H new ATOM 0 HG3 MET A 427 -12.649 6.349 3.974 1.00 0.00 H new ATOM 0 HE1 MET A 427 -15.488 3.240 2.054 1.00 0.00 H new ATOM 0 HE2 MET A 427 -15.396 3.280 3.831 1.00 0.00 H new ATOM 0 HE3 MET A 427 -15.954 4.713 2.936 1.00 0.00 H new ATOM 978 N LYS A 428 -11.859 7.985 5.911 1.00 0.00 N ATOM 979 CA LYS A 428 -10.460 8.296 6.165 1.00 0.00 C ATOM 980 C LYS A 428 -10.239 8.914 7.556 1.00 0.00 C ATOM 981 O LYS A 428 -9.114 8.872 8.045 1.00 0.00 O ATOM 982 CB LYS A 428 -9.884 9.200 5.058 1.00 0.00 C ATOM 983 CG LYS A 428 -8.345 9.123 5.000 1.00 0.00 C ATOM 984 CD LYS A 428 -7.651 10.487 4.863 1.00 0.00 C ATOM 985 CE LYS A 428 -7.558 10.991 3.418 1.00 0.00 C ATOM 986 NZ LYS A 428 -8.876 11.266 2.829 1.00 0.00 N ATOM 0 H LYS A 428 -12.266 8.506 5.135 1.00 0.00 H new ATOM 0 HA LYS A 428 -9.918 7.350 6.151 1.00 0.00 H new ATOM 0 HB2 LYS A 428 -10.299 8.905 4.095 1.00 0.00 H new ATOM 0 HB3 LYS A 428 -10.190 10.231 5.235 1.00 0.00 H new ATOM 0 HG2 LYS A 428 -7.983 8.633 5.904 1.00 0.00 H new ATOM 0 HG3 LYS A 428 -8.055 8.494 4.158 1.00 0.00 H new ATOM 0 HD2 LYS A 428 -8.192 11.221 5.460 1.00 0.00 H new ATOM 0 HD3 LYS A 428 -6.646 10.416 5.279 1.00 0.00 H new ATOM 0 HE2 LYS A 428 -6.956 11.899 3.392 1.00 0.00 H new ATOM 0 HE3 LYS A 428 -7.041 10.248 2.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 -8.811 12.094 2.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 -9.189 10.441 2.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 -9.562 11.458 3.587 1.00 0.00 H new ATOM 1000 N LYS A 429 -11.276 9.481 8.200 1.00 0.00 N ATOM 1001 CA LYS A 429 -11.150 10.084 9.530 1.00 0.00 C ATOM 1002 C LYS A 429 -10.438 9.122 10.482 1.00 0.00 C ATOM 1003 O LYS A 429 -9.337 9.411 10.946 1.00 0.00 O ATOM 1004 CB LYS A 429 -12.523 10.464 10.109 1.00 0.00 C ATOM 1005 CG LYS A 429 -13.157 11.663 9.396 1.00 0.00 C ATOM 1006 CD LYS A 429 -14.614 11.895 9.820 1.00 0.00 C ATOM 1007 CE LYS A 429 -14.744 12.266 11.302 1.00 0.00 C ATOM 1008 NZ LYS A 429 -16.139 12.586 11.661 1.00 0.00 N ATOM 0 H LYS A 429 -12.218 9.531 7.811 1.00 0.00 H new ATOM 0 HA LYS A 429 -10.561 10.995 9.425 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -13.193 9.607 10.035 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -12.414 10.693 11.169 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -12.573 12.559 9.608 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -13.116 11.504 8.318 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -15.044 12.690 9.211 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -15.194 10.994 9.623 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -14.390 11.439 11.917 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -14.106 13.122 11.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -16.190 12.832 12.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -16.468 13.391 11.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -16.743 11.760 11.475 1.00 0.00 H new