USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=13 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 416 THR OG1 : rot 180:sc= 0.243 USER MOD Set 1.2: A 419 MET CE :methyl 170:sc= 0 (180deg=-0.217) USER MOD Single : A 389 LYS NZ :NH3+ 144:sc= -0.16 (180deg=-0.929) USER MOD Single : A 390 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 393 SER OG : rot 81:sc= 0.163 USER MOD Single : A 397 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 402 ASN : amide:sc= 0.614 K(o=0.61,f=-3.5!) USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 405 LYS NZ :NH3+ -172:sc=-0.00115 (180deg=-0.0732) USER MOD Single : A 409 HIS : no HD1:sc= -0.521 X(o=-0.52,f=-0.037) USER MOD Single : A 410 TYR OH : rot 180:sc=-0.00734 USER MOD Single : A 411 LYS NZ :NH3+ 176:sc= 0.673 (180deg=0.655) USER MOD Single : A 413 ASN : amide:sc= 0.771 K(o=0.77,f=-0.0099) USER MOD Single : A 414 ASN : amide:sc= -0.155 X(o=-0.16,f=-0.13) USER MOD Single : A 417 SER OG : rot 180:sc= 0 USER MOD Single : A 421 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 426 THR OG1 : rot 81:sc= 0.932 USER MOD Single : A 427 MET CE :methyl -176:sc= 0 (180deg=-0.0181) USER MOD Single : A 428 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.00137) USER MOD Single : A 429 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 186 N TRP A 383 -23.054 3.351 1.188 1.00 0.00 N ATOM 187 CA TRP A 383 -22.436 3.121 -0.106 1.00 0.00 C ATOM 188 C TRP A 383 -22.442 1.627 -0.428 1.00 0.00 C ATOM 189 O TRP A 383 -22.509 0.791 0.474 1.00 0.00 O ATOM 190 CB TRP A 383 -21.016 3.688 -0.109 1.00 0.00 C ATOM 191 CG TRP A 383 -20.863 5.031 -0.747 1.00 0.00 C ATOM 192 CD1 TRP A 383 -21.587 6.140 -0.480 1.00 0.00 C ATOM 193 CD2 TRP A 383 -19.909 5.417 -1.773 1.00 0.00 C ATOM 194 NE1 TRP A 383 -21.150 7.186 -1.271 1.00 0.00 N ATOM 195 CE2 TRP A 383 -20.111 6.791 -2.092 1.00 0.00 C ATOM 196 CE3 TRP A 383 -18.888 4.736 -2.466 1.00 0.00 C ATOM 197 CZ2 TRP A 383 -19.336 7.456 -3.055 1.00 0.00 C ATOM 198 CZ3 TRP A 383 -18.107 5.395 -3.429 1.00 0.00 C ATOM 199 CH2 TRP A 383 -18.328 6.750 -3.728 1.00 0.00 C ATOM 0 HA TRP A 383 -23.006 3.633 -0.881 1.00 0.00 H new ATOM 0 HB2 TRP A 383 -20.666 3.752 0.921 1.00 0.00 H new ATOM 0 HB3 TRP A 383 -20.363 2.983 -0.624 1.00 0.00 H new ATOM 0 HD1 TRP A 383 -22.387 6.200 0.243 1.00 0.00 H new ATOM 0 HE1 TRP A 383 -21.543 8.127 -1.251 1.00 0.00 H new ATOM 0 HE3 TRP A 383 -18.704 3.693 -2.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 383 -19.514 8.498 -3.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 383 -17.328 4.854 -3.946 1.00 0.00 H new ATOM 0 HH2 TRP A 383 -17.724 7.246 -4.473 1.00 0.00 H new ATOM 210 N LEU A 384 -22.375 1.302 -1.723 1.00 0.00 N ATOM 211 CA LEU A 384 -22.372 -0.071 -2.196 1.00 0.00 C ATOM 212 C LEU A 384 -20.941 -0.605 -2.228 1.00 0.00 C ATOM 213 O LEU A 384 -19.998 0.131 -2.517 1.00 0.00 O ATOM 214 CB LEU A 384 -22.999 -0.161 -3.598 1.00 0.00 C ATOM 215 CG LEU A 384 -24.537 -0.091 -3.663 1.00 0.00 C ATOM 216 CD1 LEU A 384 -25.202 -1.294 -2.985 1.00 0.00 C ATOM 217 CD2 LEU A 384 -25.111 1.216 -3.109 1.00 0.00 C ATOM 0 H LEU A 384 -22.321 1.994 -2.471 1.00 0.00 H new ATOM 0 HA LEU A 384 -22.966 -0.677 -1.512 1.00 0.00 H new ATOM 0 HB2 LEU A 384 -22.594 0.647 -4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 384 -22.679 -1.097 -4.057 1.00 0.00 H new ATOM 0 HG LEU A 384 -24.775 -0.120 -4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 384 -26.285 -1.199 -3.057 1.00 0.00 H new ATOM 0 HD12 LEU A 384 -24.885 -2.212 -3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 384 -24.910 -1.328 -1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 384 -26.198 1.197 -3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 384 -24.823 1.326 -2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 384 -24.721 2.057 -3.683 1.00 0.00 H new ATOM 229 N TRP A 385 -20.808 -1.903 -1.944 1.00 0.00 N ATOM 230 CA TRP A 385 -19.571 -2.671 -1.929 1.00 0.00 C ATOM 231 C TRP A 385 -18.710 -2.365 -3.164 1.00 0.00 C ATOM 232 O TRP A 385 -17.532 -2.026 -3.053 1.00 0.00 O ATOM 233 CB TRP A 385 -19.946 -4.164 -1.851 1.00 0.00 C ATOM 234 CG TRP A 385 -20.816 -4.682 -2.967 1.00 0.00 C ATOM 235 CD1 TRP A 385 -22.152 -4.502 -3.087 1.00 0.00 C ATOM 236 CD2 TRP A 385 -20.423 -5.457 -4.141 1.00 0.00 C ATOM 237 NE1 TRP A 385 -22.610 -5.100 -4.243 1.00 0.00 N ATOM 238 CE2 TRP A 385 -21.582 -5.704 -4.934 1.00 0.00 C ATOM 239 CE3 TRP A 385 -19.201 -5.974 -4.616 1.00 0.00 C ATOM 240 CZ2 TRP A 385 -21.528 -6.423 -6.136 1.00 0.00 C ATOM 241 CZ3 TRP A 385 -19.134 -6.697 -5.821 1.00 0.00 C ATOM 242 CH2 TRP A 385 -20.295 -6.922 -6.582 1.00 0.00 C ATOM 0 H TRP A 385 -21.616 -2.478 -1.704 1.00 0.00 H new ATOM 0 HA TRP A 385 -18.968 -2.397 -1.064 1.00 0.00 H new ATOM 0 HB2 TRP A 385 -19.027 -4.749 -1.831 1.00 0.00 H new ATOM 0 HB3 TRP A 385 -20.457 -4.342 -0.905 1.00 0.00 H new ATOM 0 HD1 TRP A 385 -22.770 -3.968 -2.380 1.00 0.00 H new ATOM 0 HE1 TRP A 385 -23.584 -5.096 -4.547 1.00 0.00 H new ATOM 0 HE3 TRP A 385 -18.299 -5.812 -4.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 -22.426 -6.591 -6.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 -18.185 -7.082 -6.164 1.00 0.00 H new ATOM 0 HH2 TRP A 385 -20.238 -7.477 -7.507 1.00 0.00 H new ATOM 253 N GLU A 386 -19.318 -2.487 -4.346 1.00 0.00 N ATOM 254 CA GLU A 386 -18.697 -2.248 -5.636 1.00 0.00 C ATOM 255 C GLU A 386 -18.189 -0.810 -5.755 1.00 0.00 C ATOM 256 O GLU A 386 -17.077 -0.594 -6.230 1.00 0.00 O ATOM 257 CB GLU A 386 -19.658 -2.647 -6.767 1.00 0.00 C ATOM 258 CG GLU A 386 -21.099 -2.151 -6.585 1.00 0.00 C ATOM 259 CD GLU A 386 -21.946 -2.517 -7.794 1.00 0.00 C ATOM 260 OE1 GLU A 386 -22.427 -3.670 -7.821 1.00 0.00 O ATOM 261 OE2 GLU A 386 -22.089 -1.634 -8.668 1.00 0.00 O ATOM 0 H GLU A 386 -20.296 -2.767 -4.426 1.00 0.00 H new ATOM 0 HA GLU A 386 -17.814 -2.880 -5.728 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -19.270 -2.259 -7.709 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -19.669 -3.734 -6.850 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -21.530 -2.590 -5.685 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -21.103 -1.070 -6.445 1.00 0.00 H new ATOM 268 N GLU A 387 -18.986 0.169 -5.317 1.00 0.00 N ATOM 269 CA GLU A 387 -18.616 1.574 -5.364 1.00 0.00 C ATOM 270 C GLU A 387 -17.437 1.848 -4.431 1.00 0.00 C ATOM 271 O GLU A 387 -16.500 2.543 -4.817 1.00 0.00 O ATOM 272 CB GLU A 387 -19.835 2.449 -5.054 1.00 0.00 C ATOM 273 CG GLU A 387 -20.911 2.229 -6.125 1.00 0.00 C ATOM 274 CD GLU A 387 -22.070 3.198 -5.972 1.00 0.00 C ATOM 275 OE1 GLU A 387 -22.520 3.386 -4.819 1.00 0.00 O ATOM 276 OE2 GLU A 387 -22.481 3.743 -7.019 1.00 0.00 O ATOM 0 H GLU A 387 -19.910 0.001 -4.919 1.00 0.00 H new ATOM 0 HA GLU A 387 -18.284 1.831 -6.370 1.00 0.00 H new ATOM 0 HB2 GLU A 387 -20.232 2.202 -4.069 1.00 0.00 H new ATOM 0 HB3 GLU A 387 -19.544 3.499 -5.026 1.00 0.00 H new ATOM 0 HG2 GLU A 387 -20.468 2.346 -7.114 1.00 0.00 H new ATOM 0 HG3 GLU A 387 -21.282 1.206 -6.062 1.00 0.00 H new ATOM 283 N ASP A 388 -17.456 1.296 -3.213 1.00 0.00 N ATOM 284 CA ASP A 388 -16.353 1.474 -2.278 1.00 0.00 C ATOM 285 C ASP A 388 -15.068 0.915 -2.889 1.00 0.00 C ATOM 286 O ASP A 388 -14.028 1.569 -2.829 1.00 0.00 O ATOM 287 CB ASP A 388 -16.670 0.833 -0.921 1.00 0.00 C ATOM 288 CG ASP A 388 -17.554 1.725 -0.060 1.00 0.00 C ATOM 289 OD1 ASP A 388 -17.217 2.919 0.086 1.00 0.00 O ATOM 290 OD2 ASP A 388 -18.540 1.210 0.510 1.00 0.00 O ATOM 0 H ASP A 388 -18.223 0.725 -2.858 1.00 0.00 H new ATOM 0 HA ASP A 388 -16.208 2.539 -2.094 1.00 0.00 H new ATOM 0 HB2 ASP A 388 -17.166 -0.124 -1.080 1.00 0.00 H new ATOM 0 HB3 ASP A 388 -15.740 0.626 -0.392 1.00 0.00 H new ATOM 295 N LYS A 389 -15.134 -0.275 -3.502 1.00 0.00 N ATOM 296 CA LYS A 389 -13.979 -0.871 -4.162 1.00 0.00 C ATOM 297 C LYS A 389 -13.498 0.043 -5.292 1.00 0.00 C ATOM 298 O LYS A 389 -12.310 0.343 -5.369 1.00 0.00 O ATOM 299 CB LYS A 389 -14.321 -2.260 -4.712 1.00 0.00 C ATOM 300 CG LYS A 389 -14.368 -3.311 -3.598 1.00 0.00 C ATOM 301 CD LYS A 389 -14.478 -4.744 -4.136 1.00 0.00 C ATOM 302 CE LYS A 389 -15.771 -5.005 -4.922 1.00 0.00 C ATOM 303 NZ LYS A 389 -15.672 -4.643 -6.351 1.00 0.00 N ATOM 0 H LYS A 389 -15.981 -0.841 -3.551 1.00 0.00 H new ATOM 0 HA LYS A 389 -13.181 -0.984 -3.429 1.00 0.00 H new ATOM 0 HB2 LYS A 389 -15.285 -2.224 -5.220 1.00 0.00 H new ATOM 0 HB3 LYS A 389 -13.579 -2.550 -5.456 1.00 0.00 H new ATOM 0 HG2 LYS A 389 -13.470 -3.226 -2.986 1.00 0.00 H new ATOM 0 HG3 LYS A 389 -15.218 -3.106 -2.947 1.00 0.00 H new ATOM 0 HD2 LYS A 389 -13.623 -4.948 -4.780 1.00 0.00 H new ATOM 0 HD3 LYS A 389 -14.422 -5.442 -3.301 1.00 0.00 H new ATOM 0 HE2 LYS A 389 -16.031 -6.060 -4.839 1.00 0.00 H new ATOM 0 HE3 LYS A 389 -16.584 -4.440 -4.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 -16.217 -5.322 -6.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 -16.054 -3.686 -6.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 -14.675 -4.666 -6.647 1.00 0.00 H new ATOM 317 N ASN A 390 -14.417 0.486 -6.160 1.00 0.00 N ATOM 318 CA ASN A 390 -14.119 1.374 -7.280 1.00 0.00 C ATOM 319 C ASN A 390 -13.338 2.593 -6.795 1.00 0.00 C ATOM 320 O ASN A 390 -12.290 2.921 -7.346 1.00 0.00 O ATOM 321 CB ASN A 390 -15.416 1.857 -7.946 1.00 0.00 C ATOM 322 CG ASN A 390 -16.113 0.822 -8.824 1.00 0.00 C ATOM 323 OD1 ASN A 390 -15.650 -0.307 -8.974 1.00 0.00 O ATOM 324 ND2 ASN A 390 -17.237 1.222 -9.419 1.00 0.00 N ATOM 0 H ASN A 390 -15.403 0.231 -6.099 1.00 0.00 H new ATOM 0 HA ASN A 390 -13.524 0.815 -8.002 1.00 0.00 H new ATOM 0 HB2 ASN A 390 -16.109 2.177 -7.168 1.00 0.00 H new ATOM 0 HB3 ASN A 390 -15.191 2.734 -8.553 1.00 0.00 H new ATOM 0 HD21 ASN A 390 -17.748 0.582 -10.026 1.00 0.00 H new ATOM 0 HD22 ASN A 390 -17.586 2.168 -9.267 1.00 0.00 H new ATOM 331 N LEU A 391 -13.861 3.257 -5.762 1.00 0.00 N ATOM 332 CA LEU A 391 -13.265 4.440 -5.164 1.00 0.00 C ATOM 333 C LEU A 391 -11.885 4.127 -4.582 1.00 0.00 C ATOM 334 O LEU A 391 -10.931 4.848 -4.860 1.00 0.00 O ATOM 335 CB LEU A 391 -14.238 4.990 -4.117 1.00 0.00 C ATOM 336 CG LEU A 391 -13.727 6.226 -3.368 1.00 0.00 C ATOM 337 CD1 LEU A 391 -13.408 7.385 -4.317 1.00 0.00 C ATOM 338 CD2 LEU A 391 -14.787 6.657 -2.348 1.00 0.00 C ATOM 0 H LEU A 391 -14.732 2.975 -5.312 1.00 0.00 H new ATOM 0 HA LEU A 391 -13.098 5.206 -5.922 1.00 0.00 H new ATOM 0 HB2 LEU A 391 -15.178 5.240 -4.608 1.00 0.00 H new ATOM 0 HB3 LEU A 391 -14.456 4.205 -3.393 1.00 0.00 H new ATOM 0 HG LEU A 391 -12.797 5.962 -2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 391 -13.050 8.238 -3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 391 -12.638 7.075 -5.024 1.00 0.00 H new ATOM 0 HD13 LEU A 391 -14.309 7.668 -4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 391 -14.436 7.536 -1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 391 -15.715 6.897 -2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 391 -14.965 5.845 -1.643 1.00 0.00 H new ATOM 350 N ARG A 392 -11.771 3.060 -3.783 1.00 0.00 N ATOM 351 CA ARG A 392 -10.520 2.638 -3.164 1.00 0.00 C ATOM 352 C ARG A 392 -9.440 2.444 -4.229 1.00 0.00 C ATOM 353 O ARG A 392 -8.377 3.063 -4.162 1.00 0.00 O ATOM 354 CB ARG A 392 -10.770 1.363 -2.342 1.00 0.00 C ATOM 355 CG ARG A 392 -9.516 0.762 -1.692 1.00 0.00 C ATOM 356 CD ARG A 392 -8.821 1.753 -0.752 1.00 0.00 C ATOM 357 NE ARG A 392 -7.754 1.116 0.036 1.00 0.00 N ATOM 358 CZ ARG A 392 -7.937 0.384 1.149 1.00 0.00 C ATOM 359 NH1 ARG A 392 -9.174 0.115 1.591 1.00 0.00 N ATOM 360 NH2 ARG A 392 -6.876 -0.075 1.825 1.00 0.00 N ATOM 0 H ARG A 392 -12.561 2.459 -3.548 1.00 0.00 H new ATOM 0 HA ARG A 392 -10.156 3.410 -2.485 1.00 0.00 H new ATOM 0 HB2 ARG A 392 -11.496 1.588 -1.560 1.00 0.00 H new ATOM 0 HB3 ARG A 392 -11.222 0.612 -2.990 1.00 0.00 H new ATOM 0 HG2 ARG A 392 -9.791 -0.133 -1.135 1.00 0.00 H new ATOM 0 HG3 ARG A 392 -8.819 0.451 -2.470 1.00 0.00 H new ATOM 0 HD2 ARG A 392 -8.400 2.571 -1.336 1.00 0.00 H new ATOM 0 HD3 ARG A 392 -9.558 2.189 -0.077 1.00 0.00 H new ATOM 0 HE ARG A 392 -6.795 1.240 -0.289 1.00 0.00 H new ATOM 0 HH11 ARG A 392 -9.985 0.466 1.082 1.00 0.00 H new ATOM 0 HH12 ARG A 392 -9.304 -0.441 2.436 1.00 0.00 H new ATOM 0 HH21 ARG A 392 -5.933 0.131 1.495 1.00 0.00 H new ATOM 0 HH22 ARG A 392 -7.011 -0.631 2.670 1.00 0.00 H new ATOM 374 N SER A 393 -9.725 1.594 -5.218 1.00 0.00 N ATOM 375 CA SER A 393 -8.820 1.317 -6.319 1.00 0.00 C ATOM 376 C SER A 393 -8.522 2.605 -7.088 1.00 0.00 C ATOM 377 O SER A 393 -7.379 2.842 -7.464 1.00 0.00 O ATOM 378 CB SER A 393 -9.431 0.251 -7.230 1.00 0.00 C ATOM 379 OG SER A 393 -9.721 -0.917 -6.488 1.00 0.00 O ATOM 0 H SER A 393 -10.602 1.076 -5.271 1.00 0.00 H new ATOM 0 HA SER A 393 -7.876 0.934 -5.931 1.00 0.00 H new ATOM 0 HB2 SER A 393 -10.342 0.634 -7.690 1.00 0.00 H new ATOM 0 HB3 SER A 393 -8.740 0.014 -8.039 1.00 0.00 H new ATOM 0 HG SER A 393 -10.573 -0.803 -6.018 1.00 0.00 H new ATOM 385 N GLY A 394 -9.544 3.439 -7.305 1.00 0.00 N ATOM 386 CA GLY A 394 -9.437 4.712 -7.995 1.00 0.00 C ATOM 387 C GLY A 394 -8.394 5.608 -7.336 1.00 0.00 C ATOM 388 O GLY A 394 -7.461 6.050 -8.000 1.00 0.00 O ATOM 0 H GLY A 394 -10.493 3.233 -6.993 1.00 0.00 H new ATOM 0 HA2 GLY A 394 -9.169 4.542 -9.038 1.00 0.00 H new ATOM 0 HA3 GLY A 394 -10.405 5.213 -7.992 1.00 0.00 H new ATOM 392 N VAL A 395 -8.540 5.871 -6.034 1.00 0.00 N ATOM 393 CA VAL A 395 -7.602 6.705 -5.295 1.00 0.00 C ATOM 394 C VAL A 395 -6.207 6.078 -5.322 1.00 0.00 C ATOM 395 O VAL A 395 -5.216 6.785 -5.481 1.00 0.00 O ATOM 396 CB VAL A 395 -8.103 6.973 -3.864 1.00 0.00 C ATOM 397 CG1 VAL A 395 -7.047 7.743 -3.059 1.00 0.00 C ATOM 398 CG2 VAL A 395 -9.383 7.817 -3.896 1.00 0.00 C ATOM 0 H VAL A 395 -9.310 5.511 -5.469 1.00 0.00 H new ATOM 0 HA VAL A 395 -7.533 7.678 -5.782 1.00 0.00 H new ATOM 0 HB VAL A 395 -8.299 6.008 -3.396 1.00 0.00 H new ATOM 0 HG11 VAL A 395 -7.419 7.923 -2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 395 -6.129 7.157 -3.008 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -6.842 8.696 -3.546 1.00 0.00 H new ATOM 0 HG21 VAL A 395 -9.725 7.998 -2.877 1.00 0.00 H new ATOM 0 HG22 VAL A 395 -9.179 8.770 -4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 395 -10.157 7.284 -4.449 1.00 0.00 H new ATOM 408 N ARG A 396 -6.107 4.754 -5.173 1.00 0.00 N ATOM 409 CA ARG A 396 -4.816 4.080 -5.195 1.00 0.00 C ATOM 410 C ARG A 396 -4.131 4.204 -6.565 1.00 0.00 C ATOM 411 O ARG A 396 -2.911 4.335 -6.632 1.00 0.00 O ATOM 412 CB ARG A 396 -5.007 2.614 -4.778 1.00 0.00 C ATOM 413 CG ARG A 396 -3.697 1.818 -4.661 1.00 0.00 C ATOM 414 CD ARG A 396 -2.728 2.424 -3.637 1.00 0.00 C ATOM 415 NE ARG A 396 -1.589 1.529 -3.384 1.00 0.00 N ATOM 416 CZ ARG A 396 -0.592 1.787 -2.521 1.00 0.00 C ATOM 417 NH1 ARG A 396 -0.574 2.935 -1.830 1.00 0.00 N ATOM 418 NH2 ARG A 396 0.391 0.892 -2.351 1.00 0.00 N ATOM 0 H ARG A 396 -6.905 4.134 -5.037 1.00 0.00 H new ATOM 0 HA ARG A 396 -4.150 4.565 -4.481 1.00 0.00 H new ATOM 0 HB2 ARG A 396 -5.524 2.585 -3.819 1.00 0.00 H new ATOM 0 HB3 ARG A 396 -5.654 2.122 -5.504 1.00 0.00 H new ATOM 0 HG2 ARG A 396 -3.925 0.791 -4.377 1.00 0.00 H new ATOM 0 HG3 ARG A 396 -3.212 1.779 -5.636 1.00 0.00 H new ATOM 0 HD2 ARG A 396 -2.364 3.385 -4.002 1.00 0.00 H new ATOM 0 HD3 ARG A 396 -3.256 2.617 -2.703 1.00 0.00 H new ATOM 0 HE ARG A 396 -1.553 0.650 -3.900 1.00 0.00 H new ATOM 0 HH11 ARG A 396 -1.320 3.619 -1.958 1.00 0.00 H new ATOM 0 HH12 ARG A 396 0.186 3.125 -1.176 1.00 0.00 H new ATOM 0 HH21 ARG A 396 0.381 0.018 -2.876 1.00 0.00 H new ATOM 0 HH22 ARG A 396 1.149 1.085 -1.697 1.00 0.00 H new ATOM 432 N LYS A 397 -4.909 4.143 -7.651 1.00 0.00 N ATOM 433 CA LYS A 397 -4.432 4.196 -9.027 1.00 0.00 C ATOM 434 C LYS A 397 -4.113 5.607 -9.528 1.00 0.00 C ATOM 435 O LYS A 397 -3.117 5.785 -10.226 1.00 0.00 O ATOM 436 CB LYS A 397 -5.473 3.511 -9.926 1.00 0.00 C ATOM 437 CG LYS A 397 -5.006 3.272 -11.369 1.00 0.00 C ATOM 438 CD LYS A 397 -3.921 2.192 -11.476 1.00 0.00 C ATOM 439 CE LYS A 397 -3.610 1.907 -12.950 1.00 0.00 C ATOM 440 NZ LYS A 397 -2.576 0.866 -13.100 1.00 0.00 N ATOM 0 H LYS A 397 -5.923 4.052 -7.588 1.00 0.00 H new ATOM 0 HA LYS A 397 -3.478 3.670 -9.065 1.00 0.00 H new ATOM 0 HB2 LYS A 397 -5.745 2.553 -9.482 1.00 0.00 H new ATOM 0 HB3 LYS A 397 -6.376 4.121 -9.946 1.00 0.00 H new ATOM 0 HG2 LYS A 397 -5.862 2.982 -11.979 1.00 0.00 H new ATOM 0 HG3 LYS A 397 -4.623 4.206 -11.781 1.00 0.00 H new ATOM 0 HD2 LYS A 397 -3.018 2.520 -10.962 1.00 0.00 H new ATOM 0 HD3 LYS A 397 -4.255 1.279 -10.983 1.00 0.00 H new ATOM 0 HE2 LYS A 397 -4.521 1.591 -13.459 1.00 0.00 H new ATOM 0 HE3 LYS A 397 -3.276 2.824 -13.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 -2.393 0.701 -14.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 -1.699 1.178 -12.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 -2.905 -0.017 -12.660 1.00 0.00 H new ATOM 454 N TYR A 398 -4.963 6.593 -9.217 1.00 0.00 N ATOM 455 CA TYR A 398 -4.841 7.969 -9.702 1.00 0.00 C ATOM 456 C TYR A 398 -4.555 9.002 -8.610 1.00 0.00 C ATOM 457 O TYR A 398 -4.545 10.197 -8.902 1.00 0.00 O ATOM 458 CB TYR A 398 -6.137 8.319 -10.450 1.00 0.00 C ATOM 459 CG TYR A 398 -6.619 7.211 -11.368 1.00 0.00 C ATOM 460 CD1 TYR A 398 -5.817 6.802 -12.449 1.00 0.00 C ATOM 461 CD2 TYR A 398 -7.853 6.577 -11.136 1.00 0.00 C ATOM 462 CE1 TYR A 398 -6.247 5.765 -13.291 1.00 0.00 C ATOM 463 CE2 TYR A 398 -8.281 5.540 -11.979 1.00 0.00 C ATOM 464 CZ TYR A 398 -7.480 5.133 -13.058 1.00 0.00 C ATOM 465 OH TYR A 398 -7.900 4.123 -13.873 1.00 0.00 O ATOM 0 H TYR A 398 -5.770 6.452 -8.609 1.00 0.00 H new ATOM 0 HA TYR A 398 -3.972 8.012 -10.358 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -6.918 8.545 -9.724 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -5.977 9.223 -11.037 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -4.869 7.287 -12.631 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -8.472 6.889 -10.308 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -5.629 5.452 -14.120 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -9.228 5.054 -11.798 1.00 0.00 H new ATOM 0 HH TYR A 398 -8.773 3.798 -13.568 1.00 0.00 H new ATOM 475 N GLY A 399 -4.329 8.580 -7.363 1.00 0.00 N ATOM 476 CA GLY A 399 -4.075 9.491 -6.258 1.00 0.00 C ATOM 477 C GLY A 399 -5.387 10.108 -5.770 1.00 0.00 C ATOM 478 O GLY A 399 -6.453 9.829 -6.318 1.00 0.00 O ATOM 0 H GLY A 399 -4.318 7.595 -7.097 1.00 0.00 H new ATOM 0 HA2 GLY A 399 -3.590 8.957 -5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 399 -3.391 10.278 -6.576 1.00 0.00 H new ATOM 482 N GLU A 400 -5.311 10.953 -4.739 1.00 0.00 N ATOM 483 CA GLU A 400 -6.462 11.632 -4.155 1.00 0.00 C ATOM 484 C GLU A 400 -6.668 12.997 -4.826 1.00 0.00 C ATOM 485 O GLU A 400 -5.822 13.459 -5.592 1.00 0.00 O ATOM 486 CB GLU A 400 -6.226 11.733 -2.637 1.00 0.00 C ATOM 487 CG GLU A 400 -7.513 11.949 -1.828 1.00 0.00 C ATOM 488 CD GLU A 400 -7.288 11.775 -0.328 1.00 0.00 C ATOM 489 OE1 GLU A 400 -6.714 10.729 0.051 1.00 0.00 O ATOM 490 OE2 GLU A 400 -7.736 12.664 0.426 1.00 0.00 O ATOM 0 H GLU A 400 -4.430 11.186 -4.281 1.00 0.00 H new ATOM 0 HA GLU A 400 -7.383 11.074 -4.324 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -5.739 10.821 -2.292 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -5.539 12.556 -2.438 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -7.898 12.950 -2.022 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -8.274 11.244 -2.164 1.00 0.00 H new ATOM 497 N GLY A 401 -7.796 13.652 -4.535 1.00 0.00 N ATOM 498 CA GLY A 401 -8.129 14.975 -5.047 1.00 0.00 C ATOM 499 C GLY A 401 -8.293 15.061 -6.566 1.00 0.00 C ATOM 500 O GLY A 401 -7.925 16.069 -7.164 1.00 0.00 O ATOM 0 H GLY A 401 -8.515 13.265 -3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 401 -9.055 15.307 -4.578 1.00 0.00 H new ATOM 0 HA3 GLY A 401 -7.349 15.673 -4.741 1.00 0.00 H new ATOM 504 N ASN A 402 -8.864 14.027 -7.191 1.00 0.00 N ATOM 505 CA ASN A 402 -9.131 13.989 -8.628 1.00 0.00 C ATOM 506 C ASN A 402 -10.379 13.138 -8.854 1.00 0.00 C ATOM 507 O ASN A 402 -10.398 12.178 -9.622 1.00 0.00 O ATOM 508 CB ASN A 402 -7.901 13.556 -9.441 1.00 0.00 C ATOM 509 CG ASN A 402 -7.413 12.151 -9.113 1.00 0.00 C ATOM 510 OD1 ASN A 402 -7.668 11.207 -9.856 1.00 0.00 O ATOM 511 ND2 ASN A 402 -6.685 12.011 -8.012 1.00 0.00 N ATOM 0 H ASN A 402 -9.157 13.181 -6.703 1.00 0.00 H new ATOM 0 HA ASN A 402 -9.336 14.991 -9.005 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -8.142 13.609 -10.503 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -7.091 14.263 -9.262 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -6.316 11.095 -7.758 1.00 0.00 H new ATOM 0 HD22 ASN A 402 -6.495 12.820 -7.420 1.00 0.00 H new ATOM 518 N TRP A 403 -11.439 13.528 -8.144 1.00 0.00 N ATOM 519 CA TRP A 403 -12.743 12.887 -8.148 1.00 0.00 C ATOM 520 C TRP A 403 -13.322 12.765 -9.552 1.00 0.00 C ATOM 521 O TRP A 403 -13.932 11.749 -9.865 1.00 0.00 O ATOM 522 CB TRP A 403 -13.665 13.637 -7.182 1.00 0.00 C ATOM 523 CG TRP A 403 -13.004 13.952 -5.875 1.00 0.00 C ATOM 524 CD1 TRP A 403 -12.817 15.186 -5.356 1.00 0.00 C ATOM 525 CD2 TRP A 403 -12.414 13.023 -4.922 1.00 0.00 C ATOM 526 NE1 TRP A 403 -12.151 15.091 -4.152 1.00 0.00 N ATOM 527 CE2 TRP A 403 -11.876 13.775 -3.837 1.00 0.00 C ATOM 528 CE3 TRP A 403 -12.270 11.619 -4.867 1.00 0.00 C ATOM 529 CZ2 TRP A 403 -11.229 13.166 -2.754 1.00 0.00 C ATOM 530 CZ3 TRP A 403 -11.624 10.999 -3.784 1.00 0.00 C ATOM 531 CH2 TRP A 403 -11.106 11.771 -2.734 1.00 0.00 C ATOM 0 H TRP A 403 -11.404 14.337 -7.524 1.00 0.00 H new ATOM 0 HA TRP A 403 -12.641 11.859 -7.800 1.00 0.00 H new ATOM 0 HB2 TRP A 403 -13.996 14.564 -7.649 1.00 0.00 H new ATOM 0 HB3 TRP A 403 -14.556 13.037 -6.998 1.00 0.00 H new ATOM 0 HD1 TRP A 403 -13.141 16.108 -5.815 1.00 0.00 H new ATOM 0 HE1 TRP A 403 -11.895 15.889 -3.570 1.00 0.00 H new ATOM 0 HE3 TRP A 403 -12.663 11.013 -5.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 403 -10.831 13.763 -1.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 403 -11.526 9.924 -3.760 1.00 0.00 H new ATOM 0 HH2 TRP A 403 -10.610 11.287 -1.906 1.00 0.00 H new ATOM 542 N SER A 404 -13.122 13.780 -10.401 1.00 0.00 N ATOM 543 CA SER A 404 -13.603 13.753 -11.776 1.00 0.00 C ATOM 544 C SER A 404 -12.968 12.572 -12.517 1.00 0.00 C ATOM 545 O SER A 404 -13.671 11.789 -13.152 1.00 0.00 O ATOM 546 CB SER A 404 -13.298 15.086 -12.469 1.00 0.00 C ATOM 547 OG SER A 404 -13.911 15.134 -13.742 1.00 0.00 O ATOM 0 H SER A 404 -12.625 14.635 -10.151 1.00 0.00 H new ATOM 0 HA SER A 404 -14.685 13.619 -11.785 1.00 0.00 H new ATOM 0 HB2 SER A 404 -13.656 15.912 -11.855 1.00 0.00 H new ATOM 0 HB3 SER A 404 -12.220 15.210 -12.573 1.00 0.00 H new ATOM 0 HG SER A 404 -13.708 15.992 -14.171 1.00 0.00 H new ATOM 553 N LYS A 405 -11.639 12.439 -12.429 1.00 0.00 N ATOM 554 CA LYS A 405 -10.912 11.352 -13.068 1.00 0.00 C ATOM 555 C LYS A 405 -11.449 10.019 -12.554 1.00 0.00 C ATOM 556 O LYS A 405 -11.887 9.197 -13.351 1.00 0.00 O ATOM 557 CB LYS A 405 -9.400 11.472 -12.812 1.00 0.00 C ATOM 558 CG LYS A 405 -8.644 12.207 -13.924 1.00 0.00 C ATOM 559 CD LYS A 405 -9.059 13.679 -14.048 1.00 0.00 C ATOM 560 CE LYS A 405 -8.292 14.391 -15.171 1.00 0.00 C ATOM 561 NZ LYS A 405 -6.842 14.471 -14.907 1.00 0.00 N ATOM 0 H LYS A 405 -11.044 13.085 -11.911 1.00 0.00 H new ATOM 0 HA LYS A 405 -11.063 11.408 -14.146 1.00 0.00 H new ATOM 0 HB2 LYS A 405 -9.240 11.995 -11.869 1.00 0.00 H new ATOM 0 HB3 LYS A 405 -8.979 10.473 -12.698 1.00 0.00 H new ATOM 0 HG2 LYS A 405 -7.573 12.151 -13.728 1.00 0.00 H new ATOM 0 HG3 LYS A 405 -8.822 11.702 -14.874 1.00 0.00 H new ATOM 0 HD2 LYS A 405 -10.130 13.740 -14.243 1.00 0.00 H new ATOM 0 HD3 LYS A 405 -8.877 14.190 -13.102 1.00 0.00 H new ATOM 0 HE2 LYS A 405 -8.458 13.863 -16.110 1.00 0.00 H new ATOM 0 HE3 LYS A 405 -8.691 15.398 -15.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 -6.392 15.075 -15.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 -6.683 14.876 -13.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 -6.428 13.518 -14.949 1.00 0.00 H new ATOM 575 N ILE A 406 -11.423 9.810 -11.233 1.00 0.00 N ATOM 576 CA ILE A 406 -11.899 8.579 -10.605 1.00 0.00 C ATOM 577 C ILE A 406 -13.310 8.223 -11.098 1.00 0.00 C ATOM 578 O ILE A 406 -13.553 7.090 -11.510 1.00 0.00 O ATOM 579 CB ILE A 406 -11.820 8.716 -9.071 1.00 0.00 C ATOM 580 CG1 ILE A 406 -10.349 8.830 -8.621 1.00 0.00 C ATOM 581 CG2 ILE A 406 -12.477 7.504 -8.393 1.00 0.00 C ATOM 582 CD1 ILE A 406 -10.205 9.440 -7.224 1.00 0.00 C ATOM 0 H ILE A 406 -11.068 10.497 -10.568 1.00 0.00 H new ATOM 0 HA ILE A 406 -11.256 7.748 -10.895 1.00 0.00 H new ATOM 0 HB ILE A 406 -12.354 9.620 -8.777 1.00 0.00 H new ATOM 0 HG12 ILE A 406 -9.893 7.840 -8.630 1.00 0.00 H new ATOM 0 HG13 ILE A 406 -9.800 9.440 -9.338 1.00 0.00 H new ATOM 0 HG21 ILE A 406 -12.414 7.614 -7.310 1.00 0.00 H new ATOM 0 HG22 ILE A 406 -13.524 7.443 -8.691 1.00 0.00 H new ATOM 0 HG23 ILE A 406 -11.960 6.593 -8.696 1.00 0.00 H new ATOM 0 HD11 ILE A 406 -9.149 9.496 -6.959 1.00 0.00 H new ATOM 0 HD12 ILE A 406 -10.635 10.442 -7.218 1.00 0.00 H new ATOM 0 HD13 ILE A 406 -10.729 8.817 -6.499 1.00 0.00 H new ATOM 594 N LEU A 407 -14.227 9.197 -11.058 1.00 0.00 N ATOM 595 CA LEU A 407 -15.615 9.067 -11.484 1.00 0.00 C ATOM 596 C LEU A 407 -15.720 8.636 -12.949 1.00 0.00 C ATOM 597 O LEU A 407 -16.606 7.858 -13.292 1.00 0.00 O ATOM 598 CB LEU A 407 -16.344 10.396 -11.228 1.00 0.00 C ATOM 599 CG LEU A 407 -17.834 10.418 -11.608 1.00 0.00 C ATOM 600 CD1 LEU A 407 -18.652 9.399 -10.807 1.00 0.00 C ATOM 601 CD2 LEU A 407 -18.388 11.822 -11.341 1.00 0.00 C ATOM 0 H LEU A 407 -14.008 10.132 -10.714 1.00 0.00 H new ATOM 0 HA LEU A 407 -16.094 8.280 -10.901 1.00 0.00 H new ATOM 0 HB2 LEU A 407 -16.253 10.642 -10.170 1.00 0.00 H new ATOM 0 HB3 LEU A 407 -15.834 11.183 -11.783 1.00 0.00 H new ATOM 0 HG LEU A 407 -17.916 10.154 -12.662 1.00 0.00 H new ATOM 0 HD11 LEU A 407 -19.697 9.452 -11.111 1.00 0.00 H new ATOM 0 HD12 LEU A 407 -18.270 8.396 -10.996 1.00 0.00 H new ATOM 0 HD13 LEU A 407 -18.571 9.623 -9.743 1.00 0.00 H new ATOM 0 HD21 LEU A 407 -19.445 11.853 -11.606 1.00 0.00 H new ATOM 0 HD22 LEU A 407 -18.272 12.064 -10.285 1.00 0.00 H new ATOM 0 HD23 LEU A 407 -17.842 12.549 -11.942 1.00 0.00 H new ATOM 613 N LEU A 408 -14.831 9.136 -13.815 1.00 0.00 N ATOM 614 CA LEU A 408 -14.833 8.790 -15.231 1.00 0.00 C ATOM 615 C LEU A 408 -14.233 7.398 -15.457 1.00 0.00 C ATOM 616 O LEU A 408 -14.765 6.620 -16.247 1.00 0.00 O ATOM 617 CB LEU A 408 -14.059 9.848 -16.033 1.00 0.00 C ATOM 618 CG LEU A 408 -14.796 11.195 -16.126 1.00 0.00 C ATOM 619 CD1 LEU A 408 -13.810 12.290 -16.547 1.00 0.00 C ATOM 620 CD2 LEU A 408 -15.946 11.140 -17.142 1.00 0.00 C ATOM 0 H LEU A 408 -14.094 9.790 -13.550 1.00 0.00 H new ATOM 0 HA LEU A 408 -15.866 8.770 -15.579 1.00 0.00 H new ATOM 0 HB2 LEU A 408 -13.085 10.005 -15.570 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -13.876 9.471 -17.039 1.00 0.00 H new ATOM 0 HG LEU A 408 -15.215 11.416 -15.144 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -14.332 13.244 -16.613 1.00 0.00 H new ATOM 0 HD12 LEU A 408 -13.011 12.364 -15.809 1.00 0.00 H new ATOM 0 HD13 LEU A 408 -13.384 12.042 -17.519 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -16.444 12.109 -17.181 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -15.549 10.896 -18.128 1.00 0.00 H new ATOM 0 HD23 LEU A 408 -16.662 10.376 -16.840 1.00 0.00 H new ATOM 632 N HIS A 409 -13.123 7.086 -14.779 1.00 0.00 N ATOM 633 CA HIS A 409 -12.424 5.815 -14.905 1.00 0.00 C ATOM 634 C HIS A 409 -13.285 4.642 -14.436 1.00 0.00 C ATOM 635 O HIS A 409 -13.497 3.700 -15.198 1.00 0.00 O ATOM 636 CB HIS A 409 -11.098 5.864 -14.135 1.00 0.00 C ATOM 637 CG HIS A 409 -10.100 6.854 -14.680 1.00 0.00 C ATOM 638 ND1 HIS A 409 -9.734 6.892 -16.017 1.00 0.00 N ATOM 639 CD2 HIS A 409 -9.371 7.855 -14.082 1.00 0.00 C ATOM 640 CE1 HIS A 409 -8.835 7.881 -16.159 1.00 0.00 C ATOM 641 NE2 HIS A 409 -8.569 8.510 -15.012 1.00 0.00 N ATOM 0 H HIS A 409 -12.682 7.725 -14.117 1.00 0.00 H new ATOM 0 HA HIS A 409 -12.213 5.653 -15.962 1.00 0.00 H new ATOM 0 HB2 HIS A 409 -11.305 6.110 -13.094 1.00 0.00 H new ATOM 0 HB3 HIS A 409 -10.649 4.871 -14.144 1.00 0.00 H new ATOM 0 HD2 HIS A 409 -9.415 8.100 -13.031 1.00 0.00 H new ATOM 0 HE1 HIS A 409 -8.376 8.140 -17.102 1.00 0.00 H new ATOM 0 HE2 HIS A 409 -7.928 9.288 -14.854 1.00 0.00 H new ATOM 649 N TYR A 410 -13.767 4.685 -13.188 1.00 0.00 N ATOM 650 CA TYR A 410 -14.583 3.619 -12.626 1.00 0.00 C ATOM 651 C TYR A 410 -16.069 3.889 -12.839 1.00 0.00 C ATOM 652 O TYR A 410 -16.521 5.028 -12.762 1.00 0.00 O ATOM 653 CB TYR A 410 -14.247 3.412 -11.150 1.00 0.00 C ATOM 654 CG TYR A 410 -12.986 2.597 -10.949 1.00 0.00 C ATOM 655 CD1 TYR A 410 -13.073 1.194 -10.881 1.00 0.00 C ATOM 656 CD2 TYR A 410 -11.731 3.226 -10.841 1.00 0.00 C ATOM 657 CE1 TYR A 410 -11.913 0.422 -10.707 1.00 0.00 C ATOM 658 CE2 TYR A 410 -10.572 2.450 -10.669 1.00 0.00 C ATOM 659 CZ TYR A 410 -10.662 1.051 -10.602 1.00 0.00 C ATOM 660 OH TYR A 410 -9.534 0.304 -10.438 1.00 0.00 O ATOM 0 H TYR A 410 -13.599 5.460 -12.547 1.00 0.00 H new ATOM 0 HA TYR A 410 -14.351 2.693 -13.153 1.00 0.00 H new ATOM 0 HB2 TYR A 410 -14.129 4.383 -10.668 1.00 0.00 H new ATOM 0 HB3 TYR A 410 -15.081 2.912 -10.658 1.00 0.00 H new ATOM 0 HD1 TYR A 410 -14.035 0.710 -10.963 1.00 0.00 H new ATOM 0 HD2 TYR A 410 -11.659 4.302 -10.890 1.00 0.00 H new ATOM 0 HE1 TYR A 410 -11.983 -0.654 -10.654 1.00 0.00 H new ATOM 0 HE2 TYR A 410 -9.609 2.932 -10.588 1.00 0.00 H new ATOM 0 HH TYR A 410 -8.755 0.896 -10.384 1.00 0.00 H new ATOM 670 N LYS A 411 -16.826 2.822 -13.114 1.00 0.00 N ATOM 671 CA LYS A 411 -18.256 2.876 -13.372 1.00 0.00 C ATOM 672 C LYS A 411 -19.039 2.811 -12.056 1.00 0.00 C ATOM 673 O LYS A 411 -19.288 1.728 -11.529 1.00 0.00 O ATOM 674 CB LYS A 411 -18.638 1.755 -14.374 1.00 0.00 C ATOM 675 CG LYS A 411 -19.322 2.263 -15.657 1.00 0.00 C ATOM 676 CD LYS A 411 -20.856 2.345 -15.586 1.00 0.00 C ATOM 677 CE LYS A 411 -21.336 3.127 -14.362 1.00 0.00 C ATOM 678 NZ LYS A 411 -22.780 3.419 -14.380 1.00 0.00 N ATOM 0 H LYS A 411 -16.445 1.877 -13.163 1.00 0.00 H new ATOM 0 HA LYS A 411 -18.524 3.826 -13.834 1.00 0.00 H new ATOM 0 HB2 LYS A 411 -17.737 1.206 -14.649 1.00 0.00 H new ATOM 0 HB3 LYS A 411 -19.303 1.049 -13.876 1.00 0.00 H new ATOM 0 HG2 LYS A 411 -18.931 3.253 -15.892 1.00 0.00 H new ATOM 0 HG3 LYS A 411 -19.046 1.607 -16.482 1.00 0.00 H new ATOM 0 HD2 LYS A 411 -21.235 2.820 -16.491 1.00 0.00 H new ATOM 0 HD3 LYS A 411 -21.271 1.338 -15.557 1.00 0.00 H new ATOM 0 HE2 LYS A 411 -21.099 2.559 -13.462 1.00 0.00 H new ATOM 0 HE3 LYS A 411 -20.784 4.065 -14.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 -23.050 3.890 -13.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 -22.998 4.042 -15.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 -23.313 2.531 -14.477 1.00 0.00 H new ATOM 692 N PHE A 412 -19.452 3.978 -11.546 1.00 0.00 N ATOM 693 CA PHE A 412 -20.261 4.103 -10.337 1.00 0.00 C ATOM 694 C PHE A 412 -21.741 4.038 -10.729 1.00 0.00 C ATOM 695 O PHE A 412 -22.097 4.352 -11.865 1.00 0.00 O ATOM 696 CB PHE A 412 -19.932 5.416 -9.621 1.00 0.00 C ATOM 697 CG PHE A 412 -18.551 5.440 -8.995 1.00 0.00 C ATOM 698 CD1 PHE A 412 -17.436 5.891 -9.726 1.00 0.00 C ATOM 699 CD2 PHE A 412 -18.381 5.004 -7.670 1.00 0.00 C ATOM 700 CE1 PHE A 412 -16.161 5.910 -9.133 1.00 0.00 C ATOM 701 CE2 PHE A 412 -17.106 5.024 -7.080 1.00 0.00 C ATOM 702 CZ PHE A 412 -15.994 5.477 -7.805 1.00 0.00 C ATOM 0 H PHE A 412 -19.227 4.876 -11.974 1.00 0.00 H new ATOM 0 HA PHE A 412 -20.041 3.288 -9.648 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -20.013 6.238 -10.333 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -20.676 5.592 -8.844 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -17.560 6.224 -10.746 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -19.232 4.653 -7.104 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -15.309 6.258 -9.698 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -16.981 4.688 -6.061 1.00 0.00 H new ATOM 0 HZ PHE A 412 -15.016 5.493 -7.347 1.00 0.00 H new ATOM 712 N ASN A 413 -22.619 3.624 -9.809 1.00 0.00 N ATOM 713 CA ASN A 413 -24.042 3.498 -10.104 1.00 0.00 C ATOM 714 C ASN A 413 -24.697 4.870 -10.202 1.00 0.00 C ATOM 715 O ASN A 413 -25.269 5.206 -11.238 1.00 0.00 O ATOM 716 CB ASN A 413 -24.755 2.620 -9.067 1.00 0.00 C ATOM 717 CG ASN A 413 -24.241 1.185 -9.110 1.00 0.00 C ATOM 718 OD1 ASN A 413 -24.816 0.344 -9.795 1.00 0.00 O ATOM 719 ND2 ASN A 413 -23.152 0.909 -8.395 1.00 0.00 N ATOM 0 H ASN A 413 -22.364 3.371 -8.854 1.00 0.00 H new ATOM 0 HA ASN A 413 -24.138 3.005 -11.071 1.00 0.00 H new ATOM 0 HB2 ASN A 413 -24.602 3.034 -8.070 1.00 0.00 H new ATOM 0 HB3 ASN A 413 -25.829 2.630 -9.255 1.00 0.00 H new ATOM 0 HD21 ASN A 413 -22.762 -0.034 -8.402 1.00 0.00 H new ATOM 0 HD22 ASN A 413 -22.707 1.640 -7.840 1.00 0.00 H new ATOM 726 N ASN A 414 -24.615 5.657 -9.127 1.00 0.00 N ATOM 727 CA ASN A 414 -25.204 6.987 -9.074 1.00 0.00 C ATOM 728 C ASN A 414 -24.445 7.827 -8.052 1.00 0.00 C ATOM 729 O ASN A 414 -24.948 8.087 -6.961 1.00 0.00 O ATOM 730 CB ASN A 414 -26.702 6.866 -8.747 1.00 0.00 C ATOM 731 CG ASN A 414 -27.390 8.221 -8.595 1.00 0.00 C ATOM 732 OD1 ASN A 414 -28.064 8.467 -7.596 1.00 0.00 O ATOM 733 ND2 ASN A 414 -27.248 9.102 -9.585 1.00 0.00 N ATOM 0 H ASN A 414 -24.136 5.384 -8.269 1.00 0.00 H new ATOM 0 HA ASN A 414 -25.122 7.490 -10.038 1.00 0.00 H new ATOM 0 HB2 ASN A 414 -27.196 6.300 -9.537 1.00 0.00 H new ATOM 0 HB3 ASN A 414 -26.822 6.298 -7.825 1.00 0.00 H new ATOM 0 HD21 ASN A 414 -27.706 10.012 -9.528 1.00 0.00 H new ATOM 0 HD22 ASN A 414 -26.682 8.866 -10.400 1.00 0.00 H new ATOM 740 N ARG A 415 -23.228 8.243 -8.420 1.00 0.00 N ATOM 741 CA ARG A 415 -22.350 9.055 -7.591 1.00 0.00 C ATOM 742 C ARG A 415 -21.879 10.286 -8.362 1.00 0.00 C ATOM 743 O ARG A 415 -22.019 10.361 -9.582 1.00 0.00 O ATOM 744 CB ARG A 415 -21.156 8.233 -7.089 1.00 0.00 C ATOM 745 CG ARG A 415 -21.558 6.985 -6.296 1.00 0.00 C ATOM 746 CD ARG A 415 -22.317 7.310 -5.003 1.00 0.00 C ATOM 747 NE ARG A 415 -22.721 6.070 -4.335 1.00 0.00 N ATOM 748 CZ ARG A 415 -23.646 5.958 -3.375 1.00 0.00 C ATOM 749 NH1 ARG A 415 -24.177 7.044 -2.799 1.00 0.00 N ATOM 750 NH2 ARG A 415 -24.034 4.732 -3.015 1.00 0.00 N ATOM 0 H ARG A 415 -22.822 8.015 -9.328 1.00 0.00 H new ATOM 0 HA ARG A 415 -22.913 9.390 -6.720 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -20.550 7.931 -7.943 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -20.529 8.866 -6.461 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -22.180 6.348 -6.924 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -20.662 6.414 -6.050 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -21.686 7.901 -4.340 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -23.196 7.914 -5.229 1.00 0.00 H new ATOM 0 HE ARG A 415 -22.254 5.213 -4.629 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -23.877 7.974 -3.091 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -24.881 6.941 -2.068 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -23.627 3.914 -3.469 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -24.738 4.613 -2.286 1.00 0.00 H new ATOM 764 N THR A 416 -21.328 11.249 -7.622 1.00 0.00 N ATOM 765 CA THR A 416 -20.815 12.516 -8.108 1.00 0.00 C ATOM 766 C THR A 416 -19.473 12.781 -7.436 1.00 0.00 C ATOM 767 O THR A 416 -19.143 12.143 -6.437 1.00 0.00 O ATOM 768 CB THR A 416 -21.792 13.637 -7.717 1.00 0.00 C ATOM 769 OG1 THR A 416 -21.919 13.685 -6.305 1.00 0.00 O ATOM 770 CG2 THR A 416 -23.168 13.452 -8.367 1.00 0.00 C ATOM 0 H THR A 416 -21.225 11.153 -6.612 1.00 0.00 H new ATOM 0 HA THR A 416 -20.701 12.485 -9.192 1.00 0.00 H new ATOM 0 HB THR A 416 -21.386 14.580 -8.083 1.00 0.00 H new ATOM 0 HG1 THR A 416 -22.541 14.401 -6.057 1.00 0.00 H new ATOM 0 HG21 THR A 416 -23.826 14.266 -8.063 1.00 0.00 H new ATOM 0 HG22 THR A 416 -23.062 13.457 -9.452 1.00 0.00 H new ATOM 0 HG23 THR A 416 -23.596 12.501 -8.049 1.00 0.00 H new ATOM 778 N SER A 417 -18.716 13.749 -7.962 1.00 0.00 N ATOM 779 CA SER A 417 -17.437 14.148 -7.394 1.00 0.00 C ATOM 780 C SER A 417 -17.611 14.500 -5.911 1.00 0.00 C ATOM 781 O SER A 417 -16.763 14.167 -5.084 1.00 0.00 O ATOM 782 CB SER A 417 -16.874 15.333 -8.183 1.00 0.00 C ATOM 783 OG SER A 417 -17.850 16.348 -8.328 1.00 0.00 O ATOM 0 H SER A 417 -18.979 14.275 -8.795 1.00 0.00 H new ATOM 0 HA SER A 417 -16.729 13.322 -7.463 1.00 0.00 H new ATOM 0 HB2 SER A 417 -15.999 15.734 -7.671 1.00 0.00 H new ATOM 0 HB3 SER A 417 -16.543 14.997 -9.166 1.00 0.00 H new ATOM 0 HG SER A 417 -17.470 17.097 -8.833 1.00 0.00 H new ATOM 789 N VAL A 418 -18.731 15.157 -5.587 1.00 0.00 N ATOM 790 CA VAL A 418 -19.092 15.555 -4.238 1.00 0.00 C ATOM 791 C VAL A 418 -19.259 14.309 -3.365 1.00 0.00 C ATOM 792 O VAL A 418 -18.641 14.230 -2.305 1.00 0.00 O ATOM 793 CB VAL A 418 -20.365 16.422 -4.265 1.00 0.00 C ATOM 794 CG1 VAL A 418 -20.759 16.859 -2.847 1.00 0.00 C ATOM 795 CG2 VAL A 418 -20.155 17.675 -5.126 1.00 0.00 C ATOM 0 H VAL A 418 -19.425 15.430 -6.282 1.00 0.00 H new ATOM 0 HA VAL A 418 -18.298 16.162 -3.803 1.00 0.00 H new ATOM 0 HB VAL A 418 -21.162 15.815 -4.694 1.00 0.00 H new ATOM 0 HG11 VAL A 418 -21.661 17.470 -2.892 1.00 0.00 H new ATOM 0 HG12 VAL A 418 -20.948 15.978 -2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 418 -19.949 17.440 -2.407 1.00 0.00 H new ATOM 0 HG21 VAL A 418 -21.068 18.271 -5.130 1.00 0.00 H new ATOM 0 HG22 VAL A 418 -19.337 18.266 -4.715 1.00 0.00 H new ATOM 0 HG23 VAL A 418 -19.911 17.379 -6.146 1.00 0.00 H new ATOM 805 N MET A 419 -20.074 13.334 -3.795 1.00 0.00 N ATOM 806 CA MET A 419 -20.271 12.111 -3.020 1.00 0.00 C ATOM 807 C MET A 419 -18.959 11.333 -2.857 1.00 0.00 C ATOM 808 O MET A 419 -18.714 10.781 -1.787 1.00 0.00 O ATOM 809 CB MET A 419 -21.399 11.253 -3.608 1.00 0.00 C ATOM 810 CG MET A 419 -22.761 11.742 -3.096 1.00 0.00 C ATOM 811 SD MET A 419 -24.198 10.789 -3.655 1.00 0.00 S ATOM 812 CE MET A 419 -24.408 11.488 -5.308 1.00 0.00 C ATOM 0 H MET A 419 -20.601 13.372 -4.668 1.00 0.00 H new ATOM 0 HA MET A 419 -20.588 12.396 -2.017 1.00 0.00 H new ATOM 0 HB2 MET A 419 -21.373 11.302 -4.697 1.00 0.00 H new ATOM 0 HB3 MET A 419 -21.253 10.209 -3.332 1.00 0.00 H new ATOM 0 HG2 MET A 419 -22.744 11.733 -2.006 1.00 0.00 H new ATOM 0 HG3 MET A 419 -22.894 12.779 -3.404 1.00 0.00 H new ATOM 0 HE1 MET A 419 -25.135 10.896 -5.864 1.00 0.00 H new ATOM 0 HE2 MET A 419 -24.763 12.515 -5.226 1.00 0.00 H new ATOM 0 HE3 MET A 419 -23.453 11.475 -5.833 1.00 0.00 H new ATOM 822 N LEU A 420 -18.108 11.299 -3.890 1.00 0.00 N ATOM 823 CA LEU A 420 -16.816 10.622 -3.820 1.00 0.00 C ATOM 824 C LEU A 420 -15.962 11.283 -2.733 1.00 0.00 C ATOM 825 O LEU A 420 -15.416 10.595 -1.871 1.00 0.00 O ATOM 826 CB LEU A 420 -16.097 10.663 -5.180 1.00 0.00 C ATOM 827 CG LEU A 420 -16.361 9.417 -6.040 1.00 0.00 C ATOM 828 CD1 LEU A 420 -17.801 9.323 -6.545 1.00 0.00 C ATOM 829 CD2 LEU A 420 -15.417 9.401 -7.243 1.00 0.00 C ATOM 0 H LEU A 420 -18.298 11.738 -4.791 1.00 0.00 H new ATOM 0 HA LEU A 420 -16.975 9.574 -3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 420 -16.418 11.549 -5.727 1.00 0.00 H new ATOM 0 HB3 LEU A 420 -15.024 10.762 -5.014 1.00 0.00 H new ATOM 0 HG LEU A 420 -16.183 8.558 -5.392 1.00 0.00 H new ATOM 0 HD11 LEU A 420 -17.918 8.421 -7.145 1.00 0.00 H new ATOM 0 HD12 LEU A 420 -18.483 9.285 -5.695 1.00 0.00 H new ATOM 0 HD13 LEU A 420 -18.030 10.197 -7.155 1.00 0.00 H new ATOM 0 HD21 LEU A 420 -15.612 8.514 -7.846 1.00 0.00 H new ATOM 0 HD22 LEU A 420 -15.581 10.294 -7.846 1.00 0.00 H new ATOM 0 HD23 LEU A 420 -14.384 9.383 -6.895 1.00 0.00 H new ATOM 841 N LYS A 421 -15.862 12.618 -2.773 1.00 0.00 N ATOM 842 CA LYS A 421 -15.110 13.414 -1.812 1.00 0.00 C ATOM 843 C LYS A 421 -15.621 13.146 -0.391 1.00 0.00 C ATOM 844 O LYS A 421 -14.827 12.841 0.499 1.00 0.00 O ATOM 845 CB LYS A 421 -15.226 14.895 -2.202 1.00 0.00 C ATOM 846 CG LYS A 421 -14.369 15.822 -1.330 1.00 0.00 C ATOM 847 CD LYS A 421 -14.729 17.300 -1.548 1.00 0.00 C ATOM 848 CE LYS A 421 -14.550 17.761 -3.002 1.00 0.00 C ATOM 849 NZ LYS A 421 -14.816 19.204 -3.153 1.00 0.00 N ATOM 0 H LYS A 421 -16.314 13.181 -3.493 1.00 0.00 H new ATOM 0 HA LYS A 421 -14.056 13.137 -1.827 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -14.931 15.013 -3.245 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -16.269 15.202 -2.130 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -14.508 15.565 -0.280 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -13.315 15.666 -1.560 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -15.764 17.463 -1.247 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -14.108 17.918 -0.899 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -13.534 17.542 -3.331 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -15.223 17.197 -3.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -14.685 19.479 -4.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -15.793 19.409 -2.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -14.157 19.743 -2.555 1.00 0.00 H new ATOM 863 N ASP A 422 -16.941 13.254 -0.190 1.00 0.00 N ATOM 864 CA ASP A 422 -17.616 13.020 1.083 1.00 0.00 C ATOM 865 C ASP A 422 -17.226 11.645 1.620 1.00 0.00 C ATOM 866 O ASP A 422 -16.667 11.532 2.713 1.00 0.00 O ATOM 867 CB ASP A 422 -19.140 13.128 0.873 1.00 0.00 C ATOM 868 CG ASP A 422 -19.977 12.544 2.014 1.00 0.00 C ATOM 869 OD1 ASP A 422 -19.528 12.617 3.176 1.00 0.00 O ATOM 870 OD2 ASP A 422 -21.077 12.024 1.713 1.00 0.00 O ATOM 0 H ASP A 422 -17.585 13.515 -0.937 1.00 0.00 H new ATOM 0 HA ASP A 422 -17.314 13.768 1.816 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -19.404 14.178 0.745 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -19.404 12.618 -0.053 1.00 0.00 H new ATOM 875 N ARG A 423 -17.527 10.603 0.840 1.00 0.00 N ATOM 876 CA ARG A 423 -17.249 9.226 1.195 1.00 0.00 C ATOM 877 C ARG A 423 -15.790 9.013 1.589 1.00 0.00 C ATOM 878 O ARG A 423 -15.533 8.492 2.670 1.00 0.00 O ATOM 879 CB ARG A 423 -17.650 8.294 0.045 1.00 0.00 C ATOM 880 CG ARG A 423 -17.381 6.813 0.355 1.00 0.00 C ATOM 881 CD ARG A 423 -18.128 6.346 1.609 1.00 0.00 C ATOM 882 NE ARG A 423 -18.149 4.880 1.720 1.00 0.00 N ATOM 883 CZ ARG A 423 -18.605 4.196 2.783 1.00 0.00 C ATOM 884 NH1 ARG A 423 -18.964 4.845 3.899 1.00 0.00 N ATOM 885 NH2 ARG A 423 -18.719 2.865 2.728 1.00 0.00 N ATOM 0 H ARG A 423 -17.978 10.704 -0.069 1.00 0.00 H new ATOM 0 HA ARG A 423 -17.848 8.984 2.073 1.00 0.00 H new ATOM 0 HB2 ARG A 423 -18.710 8.428 -0.172 1.00 0.00 H new ATOM 0 HB3 ARG A 423 -17.102 8.577 -0.854 1.00 0.00 H new ATOM 0 HG2 ARG A 423 -17.684 6.203 -0.496 1.00 0.00 H new ATOM 0 HG3 ARG A 423 -16.311 6.660 0.492 1.00 0.00 H new ATOM 0 HD2 ARG A 423 -17.653 6.770 2.494 1.00 0.00 H new ATOM 0 HD3 ARG A 423 -19.150 6.723 1.584 1.00 0.00 H new ATOM 0 HE ARG A 423 -17.791 4.342 0.931 1.00 0.00 H new ATOM 0 HH11 ARG A 423 -18.892 5.861 3.944 1.00 0.00 H new ATOM 0 HH12 ARG A 423 -19.310 4.323 4.704 1.00 0.00 H new ATOM 0 HH21 ARG A 423 -18.459 2.366 1.877 1.00 0.00 H new ATOM 0 HH22 ARG A 423 -19.065 2.349 3.537 1.00 0.00 H new ATOM 899 N TRP A 424 -14.837 9.390 0.728 1.00 0.00 N ATOM 900 CA TRP A 424 -13.434 9.175 1.019 1.00 0.00 C ATOM 901 C TRP A 424 -12.971 9.925 2.263 1.00 0.00 C ATOM 902 O TRP A 424 -12.258 9.355 3.086 1.00 0.00 O ATOM 903 CB TRP A 424 -12.580 9.549 -0.187 1.00 0.00 C ATOM 904 CG TRP A 424 -11.165 9.100 -0.043 1.00 0.00 C ATOM 905 CD1 TRP A 424 -10.114 9.905 0.198 1.00 0.00 C ATOM 906 CD2 TRP A 424 -10.625 7.748 -0.114 1.00 0.00 C ATOM 907 NE1 TRP A 424 -8.956 9.161 0.269 1.00 0.00 N ATOM 908 CE2 TRP A 424 -9.215 7.819 0.085 1.00 0.00 C ATOM 909 CE3 TRP A 424 -11.183 6.469 -0.326 1.00 0.00 C ATOM 910 CZ2 TRP A 424 -8.399 6.679 0.070 1.00 0.00 C ATOM 911 CZ3 TRP A 424 -10.374 5.320 -0.341 1.00 0.00 C ATOM 912 CH2 TRP A 424 -8.984 5.423 -0.147 1.00 0.00 C ATOM 0 H TRP A 424 -15.021 9.842 -0.168 1.00 0.00 H new ATOM 0 HA TRP A 424 -13.309 8.113 1.230 1.00 0.00 H new ATOM 0 HB2 TRP A 424 -13.010 9.105 -1.085 1.00 0.00 H new ATOM 0 HB3 TRP A 424 -12.603 10.630 -0.324 1.00 0.00 H new ATOM 0 HD1 TRP A 424 -10.170 10.977 0.318 1.00 0.00 H new ATOM 0 HE1 TRP A 424 -8.029 9.552 0.436 1.00 0.00 H new ATOM 0 HE3 TRP A 424 -12.248 6.372 -0.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 424 -7.334 6.767 0.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 424 -10.822 4.351 -0.503 1.00 0.00 H new ATOM 0 HH2 TRP A 424 -8.368 4.536 -0.165 1.00 0.00 H new ATOM 923 N ARG A 425 -13.365 11.194 2.408 1.00 0.00 N ATOM 924 CA ARG A 425 -12.983 11.994 3.562 1.00 0.00 C ATOM 925 C ARG A 425 -13.494 11.328 4.842 1.00 0.00 C ATOM 926 O ARG A 425 -12.734 11.128 5.789 1.00 0.00 O ATOM 927 CB ARG A 425 -13.497 13.429 3.392 1.00 0.00 C ATOM 928 CG ARG A 425 -12.910 14.354 4.466 1.00 0.00 C ATOM 929 CD ARG A 425 -13.272 15.814 4.177 1.00 0.00 C ATOM 930 NE ARG A 425 -12.631 16.715 5.144 1.00 0.00 N ATOM 931 CZ ARG A 425 -12.656 18.057 5.080 1.00 0.00 C ATOM 932 NH1 ARG A 425 -13.339 18.677 4.109 1.00 0.00 N ATOM 933 NH2 ARG A 425 -11.991 18.779 5.992 1.00 0.00 N ATOM 0 H ARG A 425 -13.951 11.686 1.734 1.00 0.00 H new ATOM 0 HA ARG A 425 -11.897 12.051 3.641 1.00 0.00 H new ATOM 0 HB2 ARG A 425 -13.230 13.800 2.402 1.00 0.00 H new ATOM 0 HB3 ARG A 425 -14.585 13.439 3.454 1.00 0.00 H new ATOM 0 HG2 ARG A 425 -13.289 14.067 5.447 1.00 0.00 H new ATOM 0 HG3 ARG A 425 -11.826 14.242 4.497 1.00 0.00 H new ATOM 0 HD2 ARG A 425 -12.959 16.077 3.166 1.00 0.00 H new ATOM 0 HD3 ARG A 425 -14.354 15.940 4.219 1.00 0.00 H new ATOM 0 HE ARG A 425 -12.129 16.290 5.923 1.00 0.00 H new ATOM 0 HH11 ARG A 425 -13.845 18.130 3.412 1.00 0.00 H new ATOM 0 HH12 ARG A 425 -13.354 19.696 4.067 1.00 0.00 H new ATOM 0 HH21 ARG A 425 -11.468 18.310 6.731 1.00 0.00 H new ATOM 0 HH22 ARG A 425 -12.008 19.798 5.947 1.00 0.00 H new ATOM 947 N THR A 426 -14.781 10.967 4.857 1.00 0.00 N ATOM 948 CA THR A 426 -15.423 10.303 5.981 1.00 0.00 C ATOM 949 C THR A 426 -14.738 8.965 6.278 1.00 0.00 C ATOM 950 O THR A 426 -14.527 8.617 7.439 1.00 0.00 O ATOM 951 CB THR A 426 -16.918 10.118 5.666 1.00 0.00 C ATOM 952 OG1 THR A 426 -17.502 11.373 5.389 1.00 0.00 O ATOM 953 CG2 THR A 426 -17.679 9.502 6.843 1.00 0.00 C ATOM 0 H THR A 426 -15.411 11.134 4.072 1.00 0.00 H new ATOM 0 HA THR A 426 -15.328 10.917 6.877 1.00 0.00 H new ATOM 0 HB THR A 426 -16.985 9.448 4.808 1.00 0.00 H new ATOM 0 HG1 THR A 426 -17.315 11.623 4.460 1.00 0.00 H new ATOM 0 HG21 THR A 426 -18.730 9.389 6.578 1.00 0.00 H new ATOM 0 HG22 THR A 426 -17.257 8.525 7.078 1.00 0.00 H new ATOM 0 HG23 THR A 426 -17.592 10.153 7.713 1.00 0.00 H new ATOM 961 N MET A 427 -14.392 8.208 5.234 1.00 0.00 N ATOM 962 CA MET A 427 -13.754 6.911 5.356 1.00 0.00 C ATOM 963 C MET A 427 -12.355 7.027 5.961 1.00 0.00 C ATOM 964 O MET A 427 -12.083 6.416 6.989 1.00 0.00 O ATOM 965 CB MET A 427 -13.741 6.218 3.984 1.00 0.00 C ATOM 966 CG MET A 427 -13.296 4.752 4.048 1.00 0.00 C ATOM 967 SD MET A 427 -12.888 4.001 2.446 1.00 0.00 S ATOM 968 CE MET A 427 -14.472 4.156 1.585 1.00 0.00 C ATOM 0 H MET A 427 -14.553 8.491 4.267 1.00 0.00 H new ATOM 0 HA MET A 427 -14.329 6.294 6.046 1.00 0.00 H new ATOM 0 HB2 MET A 427 -14.740 6.269 3.550 1.00 0.00 H new ATOM 0 HB3 MET A 427 -13.075 6.764 3.316 1.00 0.00 H new ATOM 0 HG2 MET A 427 -12.424 4.681 4.698 1.00 0.00 H new ATOM 0 HG3 MET A 427 -14.089 4.168 4.514 1.00 0.00 H new ATOM 0 HE1 MET A 427 -14.404 3.675 0.609 1.00 0.00 H new ATOM 0 HE2 MET A 427 -15.254 3.676 2.173 1.00 0.00 H new ATOM 0 HE3 MET A 427 -14.713 5.211 1.453 1.00 0.00 H new ATOM 978 N LYS A 428 -11.460 7.792 5.336 1.00 0.00 N ATOM 979 CA LYS A 428 -10.096 7.933 5.823 1.00 0.00 C ATOM 980 C LYS A 428 -10.024 8.530 7.234 1.00 0.00 C ATOM 981 O LYS A 428 -9.124 8.177 7.991 1.00 0.00 O ATOM 982 CB LYS A 428 -9.231 8.686 4.800 1.00 0.00 C ATOM 983 CG LYS A 428 -9.419 10.208 4.841 1.00 0.00 C ATOM 984 CD LYS A 428 -8.816 10.913 3.618 1.00 0.00 C ATOM 985 CE LYS A 428 -7.369 10.517 3.291 1.00 0.00 C ATOM 986 NZ LYS A 428 -6.455 10.681 4.435 1.00 0.00 N ATOM 0 H LYS A 428 -11.660 8.324 4.489 1.00 0.00 H new ATOM 0 HA LYS A 428 -9.677 6.932 5.926 1.00 0.00 H new ATOM 0 HB2 LYS A 428 -8.182 8.453 4.982 1.00 0.00 H new ATOM 0 HB3 LYS A 428 -9.469 8.325 3.799 1.00 0.00 H new ATOM 0 HG2 LYS A 428 -10.483 10.437 4.899 1.00 0.00 H new ATOM 0 HG3 LYS A 428 -8.958 10.603 5.747 1.00 0.00 H new ATOM 0 HD2 LYS A 428 -9.440 10.701 2.750 1.00 0.00 H new ATOM 0 HD3 LYS A 428 -8.854 11.990 3.782 1.00 0.00 H new ATOM 0 HE2 LYS A 428 -7.348 9.478 2.962 1.00 0.00 H new ATOM 0 HE3 LYS A 428 -7.012 11.122 2.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 -5.478 10.767 4.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 -6.712 11.539 4.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 -6.529 9.853 5.060 1.00 0.00 H new ATOM 1000 N LYS A 429 -10.951 9.431 7.586 1.00 0.00 N ATOM 1001 CA LYS A 429 -10.969 10.075 8.894 1.00 0.00 C ATOM 1002 C LYS A 429 -11.646 9.218 9.967 1.00 0.00 C ATOM 1003 O LYS A 429 -11.060 9.006 11.027 1.00 0.00 O ATOM 1004 CB LYS A 429 -11.630 11.457 8.769 1.00 0.00 C ATOM 1005 CG LYS A 429 -11.756 12.237 10.090 1.00 0.00 C ATOM 1006 CD LYS A 429 -10.463 12.383 10.906 1.00 0.00 C ATOM 1007 CE LYS A 429 -9.361 13.140 10.154 1.00 0.00 C ATOM 1008 NZ LYS A 429 -8.168 13.335 11.000 1.00 0.00 N ATOM 0 H LYS A 429 -11.706 9.730 6.969 1.00 0.00 H new ATOM 0 HA LYS A 429 -9.938 10.198 9.227 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -11.055 12.056 8.064 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -12.625 11.330 8.342 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -12.137 13.234 9.867 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -12.502 11.743 10.712 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -10.684 12.905 11.837 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -10.096 11.393 11.176 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -9.086 12.587 9.256 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -9.740 14.109 9.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -7.442 13.850 10.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -8.427 13.884 11.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -7.793 12.409 11.290 1.00 0.00 H new