USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=12 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 404 SER OG : rot 180:sc= 0.766 USER MOD Set 1.2: A 417 SER OG : rot -132:sc= 0.848 USER MOD Set 2.1: A 413 ASN : amide:sc= 0.876 K(o=1.8,f=-0.52) USER MOD Set 2.2: A 414 ASN : amide:sc= 0.875 K(o=1.8,f=0.056) USER MOD Set 3.1: A 397 LYS NZ :NH3+ -115:sc= 1.59 (180deg=-0.296) USER MOD Set 3.2: A 398 TYR OH : rot 180:sc= 0.595 USER MOD Set 3.3: A 410 TYR OH : rot 131:sc= 0.795 USER MOD Single : A 389 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0378) USER MOD Single : A 390 ASN : amide:sc= -1.03 K(o=-1,f=-2.3!) USER MOD Single : A 393 SER OG : rot 78:sc= 0.152 USER MOD Single : A 402 ASN : amide:sc= 0.825 K(o=0.82,f=0) USER MOD Single : A 405 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 409 HIS : no HD1:sc= -0.452 X(o=-0.45,f=-0.0088) USER MOD Single : A 411 LYS NZ :NH3+ -179:sc= 0.504 (180deg=0.492) USER MOD Single : A 416 THR OG1 : rot 180:sc= 0.0966 USER MOD Single : A 419 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 421 LYS NZ :NH3+ -153:sc= 0.803 (180deg=-0.17) USER MOD Single : A 426 THR OG1 : rot 85:sc= 0.347 USER MOD Single : A 427 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 428 LYS NZ :NH3+ 161:sc= 1.21 (180deg=0.353) USER MOD Single : A 429 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 186 N TRP A 383 -23.833 3.683 -1.031 1.00 0.00 N ATOM 187 CA TRP A 383 -22.521 3.156 -1.385 1.00 0.00 C ATOM 188 C TRP A 383 -22.475 1.629 -1.410 1.00 0.00 C ATOM 189 O TRP A 383 -22.590 0.983 -0.370 1.00 0.00 O ATOM 190 CB TRP A 383 -21.412 3.756 -0.519 1.00 0.00 C ATOM 191 CG TRP A 383 -21.193 5.208 -0.777 1.00 0.00 C ATOM 192 CD1 TRP A 383 -21.678 6.234 -0.044 1.00 0.00 C ATOM 193 CD2 TRP A 383 -20.433 5.810 -1.861 1.00 0.00 C ATOM 194 NE1 TRP A 383 -21.272 7.432 -0.597 1.00 0.00 N ATOM 195 CE2 TRP A 383 -20.502 7.227 -1.724 1.00 0.00 C ATOM 196 CE3 TRP A 383 -19.695 5.299 -2.949 1.00 0.00 C ATOM 197 CZ2 TRP A 383 -19.866 8.092 -2.627 1.00 0.00 C ATOM 198 CZ3 TRP A 383 -19.055 6.161 -3.857 1.00 0.00 C ATOM 199 CH2 TRP A 383 -19.142 7.553 -3.698 1.00 0.00 C ATOM 0 HA TRP A 383 -22.333 3.474 -2.411 1.00 0.00 H new ATOM 0 HB2 TRP A 383 -21.662 3.613 0.532 1.00 0.00 H new ATOM 0 HB3 TRP A 383 -20.483 3.216 -0.702 1.00 0.00 H new ATOM 0 HD1 TRP A 383 -22.290 6.132 0.840 1.00 0.00 H new ATOM 0 HE1 TRP A 383 -21.510 8.350 -0.221 1.00 0.00 H new ATOM 0 HE3 TRP A 383 -19.620 4.230 -3.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 383 -19.934 9.162 -2.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 383 -18.493 5.749 -4.682 1.00 0.00 H new ATOM 0 HH2 TRP A 383 -18.651 8.209 -4.402 1.00 0.00 H new ATOM 210 N LEU A 384 -22.293 1.060 -2.608 1.00 0.00 N ATOM 211 CA LEU A 384 -22.186 -0.379 -2.786 1.00 0.00 C ATOM 212 C LEU A 384 -20.719 -0.784 -2.624 1.00 0.00 C ATOM 213 O LEU A 384 -19.813 0.025 -2.824 1.00 0.00 O ATOM 214 CB LEU A 384 -22.701 -0.817 -4.167 1.00 0.00 C ATOM 215 CG LEU A 384 -24.223 -0.693 -4.367 1.00 0.00 C ATOM 216 CD1 LEU A 384 -24.658 0.744 -4.680 1.00 0.00 C ATOM 217 CD2 LEU A 384 -24.648 -1.589 -5.536 1.00 0.00 C ATOM 0 H LEU A 384 -22.217 1.591 -3.476 1.00 0.00 H new ATOM 0 HA LEU A 384 -22.803 -0.873 -2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 384 -22.200 -0.221 -4.930 1.00 0.00 H new ATOM 0 HB3 LEU A 384 -22.412 -1.855 -4.333 1.00 0.00 H new ATOM 0 HG LEU A 384 -24.699 -0.996 -3.435 1.00 0.00 H new ATOM 0 HD11 LEU A 384 -25.740 0.776 -4.812 1.00 0.00 H new ATOM 0 HD12 LEU A 384 -24.373 1.398 -3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 384 -24.171 1.081 -5.595 1.00 0.00 H new ATOM 0 HD21 LEU A 384 -25.725 -1.507 -5.684 1.00 0.00 H new ATOM 0 HD22 LEU A 384 -24.132 -1.274 -6.443 1.00 0.00 H new ATOM 0 HD23 LEU A 384 -24.390 -2.624 -5.313 1.00 0.00 H new ATOM 229 N TRP A 385 -20.486 -2.054 -2.275 1.00 0.00 N ATOM 230 CA TRP A 385 -19.148 -2.602 -2.099 1.00 0.00 C ATOM 231 C TRP A 385 -18.297 -2.392 -3.356 1.00 0.00 C ATOM 232 O TRP A 385 -17.125 -2.040 -3.246 1.00 0.00 O ATOM 233 CB TRP A 385 -19.228 -4.080 -1.693 1.00 0.00 C ATOM 234 CG TRP A 385 -20.181 -4.939 -2.472 1.00 0.00 C ATOM 235 CD1 TRP A 385 -21.455 -5.204 -2.109 1.00 0.00 C ATOM 236 CD2 TRP A 385 -19.971 -5.652 -3.729 1.00 0.00 C ATOM 237 NE1 TRP A 385 -22.053 -6.022 -3.043 1.00 0.00 N ATOM 238 CE2 TRP A 385 -21.181 -6.330 -4.067 1.00 0.00 C ATOM 239 CE3 TRP A 385 -18.885 -5.796 -4.620 1.00 0.00 C ATOM 240 CZ2 TRP A 385 -21.305 -7.108 -5.228 1.00 0.00 C ATOM 241 CZ3 TRP A 385 -19.000 -6.575 -5.787 1.00 0.00 C ATOM 242 CH2 TRP A 385 -20.206 -7.228 -6.093 1.00 0.00 C ATOM 0 H TRP A 385 -21.230 -2.731 -2.107 1.00 0.00 H new ATOM 0 HA TRP A 385 -18.652 -2.065 -1.291 1.00 0.00 H new ATOM 0 HB2 TRP A 385 -18.231 -4.512 -1.780 1.00 0.00 H new ATOM 0 HB3 TRP A 385 -19.507 -4.130 -0.640 1.00 0.00 H new ATOM 0 HD1 TRP A 385 -21.935 -4.829 -1.217 1.00 0.00 H new ATOM 0 HE1 TRP A 385 -23.015 -6.356 -2.985 1.00 0.00 H new ATOM 0 HE3 TRP A 385 -17.950 -5.300 -4.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 385 -22.235 -7.609 -5.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 385 -18.155 -6.671 -6.452 1.00 0.00 H new ATOM 0 HH2 TRP A 385 -20.287 -7.821 -6.992 1.00 0.00 H new ATOM 253 N GLU A 386 -18.880 -2.591 -4.546 1.00 0.00 N ATOM 254 CA GLU A 386 -18.171 -2.404 -5.804 1.00 0.00 C ATOM 255 C GLU A 386 -17.706 -0.952 -5.947 1.00 0.00 C ATOM 256 O GLU A 386 -16.570 -0.710 -6.353 1.00 0.00 O ATOM 257 CB GLU A 386 -19.045 -2.838 -6.991 1.00 0.00 C ATOM 258 CG GLU A 386 -18.225 -2.801 -8.288 1.00 0.00 C ATOM 259 CD GLU A 386 -18.985 -3.358 -9.482 1.00 0.00 C ATOM 260 OE1 GLU A 386 -20.018 -2.758 -9.853 1.00 0.00 O ATOM 261 OE2 GLU A 386 -18.489 -4.340 -10.077 1.00 0.00 O ATOM 0 H GLU A 386 -19.851 -2.884 -4.656 1.00 0.00 H new ATOM 0 HA GLU A 386 -17.284 -3.038 -5.802 1.00 0.00 H new ATOM 0 HB2 GLU A 386 -19.428 -3.844 -6.822 1.00 0.00 H new ATOM 0 HB3 GLU A 386 -19.908 -2.178 -7.078 1.00 0.00 H new ATOM 0 HG2 GLU A 386 -17.931 -1.772 -8.498 1.00 0.00 H new ATOM 0 HG3 GLU A 386 -17.307 -3.372 -8.149 1.00 0.00 H new ATOM 268 N GLU A 387 -18.580 0.005 -5.610 1.00 0.00 N ATOM 269 CA GLU A 387 -18.282 1.427 -5.684 1.00 0.00 C ATOM 270 C GLU A 387 -17.098 1.762 -4.781 1.00 0.00 C ATOM 271 O GLU A 387 -16.112 2.324 -5.251 1.00 0.00 O ATOM 272 CB GLU A 387 -19.520 2.254 -5.332 1.00 0.00 C ATOM 273 CG GLU A 387 -20.637 2.042 -6.362 1.00 0.00 C ATOM 274 CD GLU A 387 -21.855 2.901 -6.048 1.00 0.00 C ATOM 275 OE1 GLU A 387 -22.213 2.971 -4.850 1.00 0.00 O ATOM 276 OE2 GLU A 387 -22.419 3.482 -7.001 1.00 0.00 O ATOM 0 H GLU A 387 -19.522 -0.196 -5.276 1.00 0.00 H new ATOM 0 HA GLU A 387 -18.003 1.682 -6.706 1.00 0.00 H new ATOM 0 HB2 GLU A 387 -19.877 1.975 -4.341 1.00 0.00 H new ATOM 0 HB3 GLU A 387 -19.255 3.311 -5.290 1.00 0.00 H new ATOM 0 HG2 GLU A 387 -20.266 2.285 -7.358 1.00 0.00 H new ATOM 0 HG3 GLU A 387 -20.925 0.991 -6.377 1.00 0.00 H new ATOM 283 N ASP A 388 -17.185 1.413 -3.491 1.00 0.00 N ATOM 284 CA ASP A 388 -16.112 1.672 -2.537 1.00 0.00 C ATOM 285 C ASP A 388 -14.810 0.995 -2.976 1.00 0.00 C ATOM 286 O ASP A 388 -13.740 1.596 -2.901 1.00 0.00 O ATOM 287 CB ASP A 388 -16.513 1.206 -1.133 1.00 0.00 C ATOM 288 CG ASP A 388 -17.600 2.073 -0.504 1.00 0.00 C ATOM 289 OD1 ASP A 388 -17.423 3.311 -0.457 1.00 0.00 O ATOM 290 OD2 ASP A 388 -18.587 1.488 -0.008 1.00 0.00 O ATOM 0 H ASP A 388 -17.997 0.947 -3.087 1.00 0.00 H new ATOM 0 HA ASP A 388 -15.941 2.748 -2.508 1.00 0.00 H new ATOM 0 HB2 ASP A 388 -16.863 0.175 -1.185 1.00 0.00 H new ATOM 0 HB3 ASP A 388 -15.633 1.212 -0.489 1.00 0.00 H new ATOM 295 N LYS A 389 -14.895 -0.256 -3.439 1.00 0.00 N ATOM 296 CA LYS A 389 -13.748 -1.024 -3.899 1.00 0.00 C ATOM 297 C LYS A 389 -13.045 -0.302 -5.050 1.00 0.00 C ATOM 298 O LYS A 389 -11.845 -0.043 -4.977 1.00 0.00 O ATOM 299 CB LYS A 389 -14.207 -2.433 -4.306 1.00 0.00 C ATOM 300 CG LYS A 389 -13.071 -3.298 -4.867 1.00 0.00 C ATOM 301 CD LYS A 389 -13.613 -4.693 -5.208 1.00 0.00 C ATOM 302 CE LYS A 389 -12.538 -5.605 -5.813 1.00 0.00 C ATOM 303 NZ LYS A 389 -12.080 -5.135 -7.135 1.00 0.00 N ATOM 0 H LYS A 389 -15.777 -0.765 -3.503 1.00 0.00 H new ATOM 0 HA LYS A 389 -13.024 -1.120 -3.090 1.00 0.00 H new ATOM 0 HB2 LYS A 389 -14.641 -2.932 -3.439 1.00 0.00 H new ATOM 0 HB3 LYS A 389 -14.995 -2.350 -5.054 1.00 0.00 H new ATOM 0 HG2 LYS A 389 -12.650 -2.832 -5.758 1.00 0.00 H new ATOM 0 HG3 LYS A 389 -12.265 -3.377 -4.137 1.00 0.00 H new ATOM 0 HD2 LYS A 389 -14.012 -5.156 -4.305 1.00 0.00 H new ATOM 0 HD3 LYS A 389 -14.441 -4.597 -5.910 1.00 0.00 H new ATOM 0 HE2 LYS A 389 -11.687 -5.658 -5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 389 -12.934 -6.616 -5.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 389 -11.431 -5.836 -7.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 389 -12.900 -5.012 -7.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 389 -11.586 -4.226 -7.028 1.00 0.00 H new ATOM 317 N ASN A 390 -13.780 0.017 -6.121 1.00 0.00 N ATOM 318 CA ASN A 390 -13.190 0.693 -7.267 1.00 0.00 C ATOM 319 C ASN A 390 -12.730 2.110 -6.907 1.00 0.00 C ATOM 320 O ASN A 390 -11.723 2.568 -7.440 1.00 0.00 O ATOM 321 CB ASN A 390 -14.081 0.590 -8.511 1.00 0.00 C ATOM 322 CG ASN A 390 -15.240 1.577 -8.549 1.00 0.00 C ATOM 323 OD1 ASN A 390 -15.026 2.783 -8.533 1.00 0.00 O ATOM 324 ND2 ASN A 390 -16.467 1.078 -8.678 1.00 0.00 N ATOM 0 H ASN A 390 -14.776 -0.183 -6.212 1.00 0.00 H new ATOM 0 HA ASN A 390 -12.276 0.170 -7.548 1.00 0.00 H new ATOM 0 HB2 ASN A 390 -13.464 0.742 -9.396 1.00 0.00 H new ATOM 0 HB3 ASN A 390 -14.482 -0.422 -8.571 1.00 0.00 H new ATOM 0 HD21 ASN A 390 -17.266 1.706 -8.768 1.00 0.00 H new ATOM 0 HD22 ASN A 390 -16.608 0.068 -8.687 1.00 0.00 H new ATOM 331 N LEU A 391 -13.430 2.791 -5.990 1.00 0.00 N ATOM 332 CA LEU A 391 -13.054 4.119 -5.518 1.00 0.00 C ATOM 333 C LEU A 391 -11.675 4.015 -4.867 1.00 0.00 C ATOM 334 O LEU A 391 -10.798 4.826 -5.149 1.00 0.00 O ATOM 335 CB LEU A 391 -14.115 4.655 -4.543 1.00 0.00 C ATOM 336 CG LEU A 391 -13.714 5.934 -3.788 1.00 0.00 C ATOM 337 CD1 LEU A 391 -13.368 7.089 -4.732 1.00 0.00 C ATOM 338 CD2 LEU A 391 -14.858 6.349 -2.855 1.00 0.00 C ATOM 0 H LEU A 391 -14.278 2.428 -5.555 1.00 0.00 H new ATOM 0 HA LEU A 391 -13.003 4.827 -6.345 1.00 0.00 H new ATOM 0 HB2 LEU A 391 -15.032 4.851 -5.099 1.00 0.00 H new ATOM 0 HB3 LEU A 391 -14.344 3.877 -3.814 1.00 0.00 H new ATOM 0 HG LEU A 391 -12.815 5.711 -3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 391 -13.092 7.967 -4.147 1.00 0.00 H new ATOM 0 HD12 LEU A 391 -12.532 6.800 -5.369 1.00 0.00 H new ATOM 0 HD13 LEU A 391 -14.233 7.324 -5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 391 -14.579 7.255 -2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 391 -15.756 6.538 -3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 391 -15.053 5.549 -2.141 1.00 0.00 H new ATOM 350 N ARG A 392 -11.476 3.000 -4.015 1.00 0.00 N ATOM 351 CA ARG A 392 -10.206 2.746 -3.348 1.00 0.00 C ATOM 352 C ARG A 392 -9.111 2.557 -4.396 1.00 0.00 C ATOM 353 O ARG A 392 -8.063 3.195 -4.311 1.00 0.00 O ATOM 354 CB ARG A 392 -10.356 1.548 -2.402 1.00 0.00 C ATOM 355 CG ARG A 392 -9.074 1.252 -1.617 1.00 0.00 C ATOM 356 CD ARG A 392 -9.315 0.157 -0.571 1.00 0.00 C ATOM 357 NE ARG A 392 -10.258 0.603 0.466 1.00 0.00 N ATOM 358 CZ ARG A 392 -10.627 -0.125 1.532 1.00 0.00 C ATOM 359 NH1 ARG A 392 -10.186 -1.375 1.701 1.00 0.00 N ATOM 360 NH2 ARG A 392 -11.441 0.392 2.456 1.00 0.00 N ATOM 0 H ARG A 392 -12.205 2.329 -3.772 1.00 0.00 H new ATOM 0 HA ARG A 392 -9.912 3.597 -2.734 1.00 0.00 H new ATOM 0 HB2 ARG A 392 -11.169 1.742 -1.703 1.00 0.00 H new ATOM 0 HB3 ARG A 392 -10.636 0.667 -2.979 1.00 0.00 H new ATOM 0 HG2 ARG A 392 -8.287 0.939 -2.303 1.00 0.00 H new ATOM 0 HG3 ARG A 392 -8.726 2.160 -1.125 1.00 0.00 H new ATOM 0 HD2 ARG A 392 -9.705 -0.736 -1.060 1.00 0.00 H new ATOM 0 HD3 ARG A 392 -8.368 -0.121 -0.108 1.00 0.00 H new ATOM 0 HE ARG A 392 -10.662 1.535 0.368 1.00 0.00 H new ATOM 0 HH11 ARG A 392 -9.558 -1.792 1.014 1.00 0.00 H new ATOM 0 HH12 ARG A 392 -10.477 -1.913 2.517 1.00 0.00 H new ATOM 0 HH21 ARG A 392 -11.787 1.346 2.355 1.00 0.00 H new ATOM 0 HH22 ARG A 392 -11.717 -0.167 3.263 1.00 0.00 H new ATOM 374 N SER A 393 -9.363 1.704 -5.398 1.00 0.00 N ATOM 375 CA SER A 393 -8.421 1.477 -6.488 1.00 0.00 C ATOM 376 C SER A 393 -8.122 2.799 -7.206 1.00 0.00 C ATOM 377 O SER A 393 -6.982 3.052 -7.591 1.00 0.00 O ATOM 378 CB SER A 393 -8.988 0.440 -7.463 1.00 0.00 C ATOM 379 OG SER A 393 -9.370 -0.730 -6.768 1.00 0.00 O ATOM 0 H SER A 393 -10.221 1.158 -5.471 1.00 0.00 H new ATOM 0 HA SER A 393 -7.487 1.089 -6.082 1.00 0.00 H new ATOM 0 HB2 SER A 393 -9.848 0.856 -7.988 1.00 0.00 H new ATOM 0 HB3 SER A 393 -8.241 0.195 -8.218 1.00 0.00 H new ATOM 0 HG SER A 393 -10.232 -0.581 -6.326 1.00 0.00 H new ATOM 385 N GLY A 394 -9.149 3.638 -7.370 1.00 0.00 N ATOM 386 CA GLY A 394 -9.074 4.942 -8.001 1.00 0.00 C ATOM 387 C GLY A 394 -8.122 5.862 -7.240 1.00 0.00 C ATOM 388 O GLY A 394 -7.155 6.364 -7.803 1.00 0.00 O ATOM 0 H GLY A 394 -10.090 3.410 -7.051 1.00 0.00 H new ATOM 0 HA2 GLY A 394 -8.735 4.833 -9.031 1.00 0.00 H new ATOM 0 HA3 GLY A 394 -10.067 5.390 -8.038 1.00 0.00 H new ATOM 392 N VAL A 395 -8.376 6.093 -5.951 1.00 0.00 N ATOM 393 CA VAL A 395 -7.524 6.948 -5.139 1.00 0.00 C ATOM 394 C VAL A 395 -6.091 6.406 -5.131 1.00 0.00 C ATOM 395 O VAL A 395 -5.139 7.170 -5.272 1.00 0.00 O ATOM 396 CB VAL A 395 -8.108 7.089 -3.723 1.00 0.00 C ATOM 397 CG1 VAL A 395 -7.115 7.818 -2.809 1.00 0.00 C ATOM 398 CG2 VAL A 395 -9.419 7.884 -3.771 1.00 0.00 C ATOM 0 H VAL A 395 -9.170 5.695 -5.449 1.00 0.00 H new ATOM 0 HA VAL A 395 -7.489 7.948 -5.572 1.00 0.00 H new ATOM 0 HB VAL A 395 -8.299 6.091 -3.329 1.00 0.00 H new ATOM 0 HG11 VAL A 395 -7.541 7.911 -1.810 1.00 0.00 H new ATOM 0 HG12 VAL A 395 -6.186 7.251 -2.756 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -6.912 8.811 -3.211 1.00 0.00 H new ATOM 0 HG21 VAL A 395 -9.824 7.978 -2.764 1.00 0.00 H new ATOM 0 HG22 VAL A 395 -9.228 8.876 -4.180 1.00 0.00 H new ATOM 0 HG23 VAL A 395 -10.137 7.363 -4.404 1.00 0.00 H new ATOM 408 N ARG A 396 -5.934 5.090 -4.970 1.00 0.00 N ATOM 409 CA ARG A 396 -4.635 4.441 -4.926 1.00 0.00 C ATOM 410 C ARG A 396 -3.823 4.610 -6.218 1.00 0.00 C ATOM 411 O ARG A 396 -2.658 4.997 -6.152 1.00 0.00 O ATOM 412 CB ARG A 396 -4.830 2.962 -4.565 1.00 0.00 C ATOM 413 CG ARG A 396 -3.494 2.226 -4.389 1.00 0.00 C ATOM 414 CD ARG A 396 -3.712 0.784 -3.912 1.00 0.00 C ATOM 415 NE ARG A 396 -4.271 0.722 -2.551 1.00 0.00 N ATOM 416 CZ ARG A 396 -3.568 0.838 -1.410 1.00 0.00 C ATOM 417 NH1 ARG A 396 -2.250 1.078 -1.443 1.00 0.00 N ATOM 418 NH2 ARG A 396 -4.189 0.712 -0.230 1.00 0.00 N ATOM 0 H ARG A 396 -6.717 4.444 -4.866 1.00 0.00 H new ATOM 0 HA ARG A 396 -4.040 4.933 -4.156 1.00 0.00 H new ATOM 0 HB2 ARG A 396 -5.408 2.888 -3.644 1.00 0.00 H new ATOM 0 HB3 ARG A 396 -5.412 2.473 -5.346 1.00 0.00 H new ATOM 0 HG2 ARG A 396 -2.952 2.221 -5.334 1.00 0.00 H new ATOM 0 HG3 ARG A 396 -2.874 2.760 -3.669 1.00 0.00 H new ATOM 0 HD2 ARG A 396 -4.384 0.274 -4.602 1.00 0.00 H new ATOM 0 HD3 ARG A 396 -2.763 0.248 -3.937 1.00 0.00 H new ATOM 0 HE ARG A 396 -5.277 0.579 -2.466 1.00 0.00 H new ATOM 0 HH11 ARG A 396 -1.771 1.174 -2.339 1.00 0.00 H new ATOM 0 HH12 ARG A 396 -1.725 1.164 -0.573 1.00 0.00 H new ATOM 0 HH21 ARG A 396 -5.192 0.529 -0.198 1.00 0.00 H new ATOM 0 HH22 ARG A 396 -3.659 0.799 0.637 1.00 0.00 H new ATOM 432 N LYS A 397 -4.405 4.293 -7.383 1.00 0.00 N ATOM 433 CA LYS A 397 -3.698 4.337 -8.661 1.00 0.00 C ATOM 434 C LYS A 397 -3.667 5.707 -9.355 1.00 0.00 C ATOM 435 O LYS A 397 -2.758 5.948 -10.146 1.00 0.00 O ATOM 436 CB LYS A 397 -4.224 3.222 -9.584 1.00 0.00 C ATOM 437 CG LYS A 397 -3.202 2.871 -10.681 1.00 0.00 C ATOM 438 CD LYS A 397 -3.601 1.649 -11.524 1.00 0.00 C ATOM 439 CE LYS A 397 -4.852 1.855 -12.388 1.00 0.00 C ATOM 440 NZ LYS A 397 -4.711 2.991 -13.322 1.00 0.00 N ATOM 0 H LYS A 397 -5.379 4.000 -7.461 1.00 0.00 H new ATOM 0 HA LYS A 397 -2.648 4.157 -8.431 1.00 0.00 H new ATOM 0 HB2 LYS A 397 -4.446 2.333 -8.993 1.00 0.00 H new ATOM 0 HB3 LYS A 397 -5.159 3.540 -10.044 1.00 0.00 H new ATOM 0 HG2 LYS A 397 -3.078 3.731 -11.339 1.00 0.00 H new ATOM 0 HG3 LYS A 397 -2.234 2.682 -10.217 1.00 0.00 H new ATOM 0 HD2 LYS A 397 -2.767 1.382 -12.173 1.00 0.00 H new ATOM 0 HD3 LYS A 397 -3.770 0.803 -10.858 1.00 0.00 H new ATOM 0 HE2 LYS A 397 -5.053 0.946 -12.954 1.00 0.00 H new ATOM 0 HE3 LYS A 397 -5.713 2.025 -11.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 397 -5.394 3.734 -13.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 397 -3.746 3.373 -13.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 397 -4.894 2.667 -14.293 1.00 0.00 H new ATOM 454 N TYR A 398 -4.642 6.590 -9.100 1.00 0.00 N ATOM 455 CA TYR A 398 -4.743 7.899 -9.748 1.00 0.00 C ATOM 456 C TYR A 398 -4.420 9.053 -8.795 1.00 0.00 C ATOM 457 O TYR A 398 -4.172 10.164 -9.259 1.00 0.00 O ATOM 458 CB TYR A 398 -6.129 8.070 -10.398 1.00 0.00 C ATOM 459 CG TYR A 398 -6.503 6.978 -11.391 1.00 0.00 C ATOM 460 CD1 TYR A 398 -6.750 5.675 -10.930 1.00 0.00 C ATOM 461 CD2 TYR A 398 -6.599 7.244 -12.772 1.00 0.00 C ATOM 462 CE1 TYR A 398 -7.084 4.650 -11.814 1.00 0.00 C ATOM 463 CE2 TYR A 398 -6.940 6.210 -13.668 1.00 0.00 C ATOM 464 CZ TYR A 398 -7.185 4.912 -13.186 1.00 0.00 C ATOM 465 OH TYR A 398 -7.507 3.894 -14.035 1.00 0.00 O ATOM 0 H TYR A 398 -5.390 6.411 -8.430 1.00 0.00 H new ATOM 0 HA TYR A 398 -3.987 7.935 -10.532 1.00 0.00 H new ATOM 0 HB2 TYR A 398 -6.883 8.101 -9.612 1.00 0.00 H new ATOM 0 HB3 TYR A 398 -6.160 9.033 -10.908 1.00 0.00 H new ATOM 0 HD1 TYR A 398 -6.680 5.463 -9.873 1.00 0.00 H new ATOM 0 HD2 TYR A 398 -6.411 8.240 -13.144 1.00 0.00 H new ATOM 0 HE1 TYR A 398 -7.265 3.653 -11.440 1.00 0.00 H new ATOM 0 HE2 TYR A 398 -7.013 6.415 -14.726 1.00 0.00 H new ATOM 0 HH TYR A 398 -7.540 4.233 -14.954 1.00 0.00 H new ATOM 475 N GLY A 399 -4.412 8.810 -7.479 1.00 0.00 N ATOM 476 CA GLY A 399 -4.112 9.820 -6.476 1.00 0.00 C ATOM 477 C GLY A 399 -5.391 10.480 -5.966 1.00 0.00 C ATOM 478 O GLY A 399 -6.319 10.734 -6.736 1.00 0.00 O ATOM 0 H GLY A 399 -4.617 7.893 -7.083 1.00 0.00 H new ATOM 0 HA2 GLY A 399 -3.577 9.363 -5.643 1.00 0.00 H new ATOM 0 HA3 GLY A 399 -3.453 10.576 -6.902 1.00 0.00 H new ATOM 482 N GLU A 400 -5.431 10.765 -4.659 1.00 0.00 N ATOM 483 CA GLU A 400 -6.566 11.405 -4.010 1.00 0.00 C ATOM 484 C GLU A 400 -6.786 12.794 -4.616 1.00 0.00 C ATOM 485 O GLU A 400 -5.834 13.428 -5.072 1.00 0.00 O ATOM 486 CB GLU A 400 -6.316 11.467 -2.493 1.00 0.00 C ATOM 487 CG GLU A 400 -7.623 11.642 -1.711 1.00 0.00 C ATOM 488 CD GLU A 400 -7.412 11.577 -0.202 1.00 0.00 C ATOM 489 OE1 GLU A 400 -6.866 10.555 0.276 1.00 0.00 O ATOM 490 OE2 GLU A 400 -7.836 12.529 0.489 1.00 0.00 O ATOM 0 H GLU A 400 -4.664 10.553 -4.021 1.00 0.00 H new ATOM 0 HA GLU A 400 -7.475 10.827 -4.174 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -5.817 10.554 -2.169 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -5.644 12.295 -2.268 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -8.073 12.600 -1.971 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -8.328 10.867 -2.010 1.00 0.00 H new ATOM 497 N GLY A 401 -8.037 13.263 -4.634 1.00 0.00 N ATOM 498 CA GLY A 401 -8.391 14.562 -5.190 1.00 0.00 C ATOM 499 C GLY A 401 -8.971 14.441 -6.601 1.00 0.00 C ATOM 500 O GLY A 401 -9.819 15.242 -6.985 1.00 0.00 O ATOM 0 H GLY A 401 -8.833 12.746 -4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 401 -9.117 15.049 -4.540 1.00 0.00 H new ATOM 0 HA3 GLY A 401 -7.507 15.199 -5.214 1.00 0.00 H new ATOM 504 N ASN A 402 -8.523 13.448 -7.379 1.00 0.00 N ATOM 505 CA ASN A 402 -8.967 13.213 -8.753 1.00 0.00 C ATOM 506 C ASN A 402 -10.331 12.509 -8.795 1.00 0.00 C ATOM 507 O ASN A 402 -10.496 11.492 -9.465 1.00 0.00 O ATOM 508 CB ASN A 402 -7.878 12.418 -9.489 1.00 0.00 C ATOM 509 CG ASN A 402 -6.553 13.176 -9.527 1.00 0.00 C ATOM 510 OD1 ASN A 402 -6.372 14.062 -10.359 1.00 0.00 O ATOM 511 ND2 ASN A 402 -5.629 12.838 -8.630 1.00 0.00 N ATOM 0 H ASN A 402 -7.827 12.773 -7.062 1.00 0.00 H new ATOM 0 HA ASN A 402 -9.112 14.167 -9.259 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -7.733 11.457 -8.996 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -8.206 12.208 -10.507 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -4.731 13.321 -8.617 1.00 0.00 H new ATOM 0 HD22 ASN A 402 -5.820 12.096 -7.956 1.00 0.00 H new ATOM 518 N TRP A 403 -11.313 13.057 -8.072 1.00 0.00 N ATOM 519 CA TRP A 403 -12.665 12.529 -7.949 1.00 0.00 C ATOM 520 C TRP A 403 -13.359 12.367 -9.300 1.00 0.00 C ATOM 521 O TRP A 403 -13.806 11.274 -9.636 1.00 0.00 O ATOM 522 CB TRP A 403 -13.479 13.425 -7.004 1.00 0.00 C ATOM 523 CG TRP A 403 -12.756 13.824 -5.755 1.00 0.00 C ATOM 524 CD1 TRP A 403 -12.446 15.091 -5.401 1.00 0.00 C ATOM 525 CD2 TRP A 403 -12.230 12.973 -4.694 1.00 0.00 C ATOM 526 NE1 TRP A 403 -11.768 15.091 -4.201 1.00 0.00 N ATOM 527 CE2 TRP A 403 -11.607 13.809 -3.720 1.00 0.00 C ATOM 528 CE3 TRP A 403 -12.216 11.582 -4.452 1.00 0.00 C ATOM 529 CZ2 TRP A 403 -10.998 13.291 -2.568 1.00 0.00 C ATOM 530 CZ3 TRP A 403 -11.610 11.053 -3.298 1.00 0.00 C ATOM 531 CH2 TRP A 403 -11.004 11.905 -2.359 1.00 0.00 C ATOM 0 H TRP A 403 -11.177 13.915 -7.537 1.00 0.00 H new ATOM 0 HA TRP A 403 -12.598 11.526 -7.527 1.00 0.00 H new ATOM 0 HB2 TRP A 403 -13.775 14.326 -7.542 1.00 0.00 H new ATOM 0 HB3 TRP A 403 -14.395 12.903 -6.728 1.00 0.00 H new ATOM 0 HD1 TRP A 403 -12.693 15.973 -5.974 1.00 0.00 H new ATOM 0 HE1 TRP A 403 -11.429 15.930 -3.730 1.00 0.00 H new ATOM 0 HE3 TRP A 403 -12.678 10.914 -5.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 403 -10.531 13.951 -1.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 403 -11.610 9.986 -3.133 1.00 0.00 H new ATOM 0 HH2 TRP A 403 -10.542 11.491 -1.475 1.00 0.00 H new ATOM 542 N SER A 404 -13.453 13.454 -10.072 1.00 0.00 N ATOM 543 CA SER A 404 -14.097 13.459 -11.378 1.00 0.00 C ATOM 544 C SER A 404 -13.488 12.400 -12.299 1.00 0.00 C ATOM 545 O SER A 404 -14.210 11.651 -12.956 1.00 0.00 O ATOM 546 CB SER A 404 -13.989 14.861 -11.985 1.00 0.00 C ATOM 547 OG SER A 404 -14.302 15.833 -11.006 1.00 0.00 O ATOM 0 H SER A 404 -13.078 14.363 -9.800 1.00 0.00 H new ATOM 0 HA SER A 404 -15.150 13.205 -11.261 1.00 0.00 H new ATOM 0 HB2 SER A 404 -12.981 15.026 -12.365 1.00 0.00 H new ATOM 0 HB3 SER A 404 -14.668 14.954 -12.833 1.00 0.00 H new ATOM 0 HG SER A 404 -14.230 16.728 -11.399 1.00 0.00 H new ATOM 553 N LYS A 405 -12.153 12.327 -12.338 1.00 0.00 N ATOM 554 CA LYS A 405 -11.446 11.350 -13.151 1.00 0.00 C ATOM 555 C LYS A 405 -11.884 9.951 -12.726 1.00 0.00 C ATOM 556 O LYS A 405 -12.345 9.181 -13.563 1.00 0.00 O ATOM 557 CB LYS A 405 -9.929 11.524 -13.005 1.00 0.00 C ATOM 558 CG LYS A 405 -9.329 12.562 -13.960 1.00 0.00 C ATOM 559 CD LYS A 405 -9.877 13.978 -13.749 1.00 0.00 C ATOM 560 CE LYS A 405 -9.122 14.959 -14.654 1.00 0.00 C ATOM 561 NZ LYS A 405 -9.630 16.337 -14.518 1.00 0.00 N ATOM 0 H LYS A 405 -11.540 12.945 -11.806 1.00 0.00 H new ATOM 0 HA LYS A 405 -11.690 11.498 -14.203 1.00 0.00 H new ATOM 0 HB2 LYS A 405 -9.703 11.815 -11.979 1.00 0.00 H new ATOM 0 HB3 LYS A 405 -9.444 10.563 -13.177 1.00 0.00 H new ATOM 0 HG2 LYS A 405 -8.247 12.578 -13.833 1.00 0.00 H new ATOM 0 HG3 LYS A 405 -9.525 12.255 -14.987 1.00 0.00 H new ATOM 0 HD2 LYS A 405 -10.943 14.004 -13.976 1.00 0.00 H new ATOM 0 HD3 LYS A 405 -9.766 14.271 -12.705 1.00 0.00 H new ATOM 0 HE2 LYS A 405 -8.061 14.938 -14.407 1.00 0.00 H new ATOM 0 HE3 LYS A 405 -9.214 14.639 -15.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 405 -9.093 16.968 -15.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 405 -10.636 16.363 -14.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 405 -9.519 16.652 -13.533 1.00 0.00 H new ATOM 575 N ILE A 406 -11.755 9.627 -11.432 1.00 0.00 N ATOM 576 CA ILE A 406 -12.148 8.334 -10.881 1.00 0.00 C ATOM 577 C ILE A 406 -13.588 8.000 -11.296 1.00 0.00 C ATOM 578 O ILE A 406 -13.859 6.873 -11.711 1.00 0.00 O ATOM 579 CB ILE A 406 -11.919 8.323 -9.356 1.00 0.00 C ATOM 580 CG1 ILE A 406 -10.404 8.330 -9.069 1.00 0.00 C ATOM 581 CG2 ILE A 406 -12.573 7.097 -8.699 1.00 0.00 C ATOM 582 CD1 ILE A 406 -10.075 8.710 -7.621 1.00 0.00 C ATOM 0 H ILE A 406 -11.370 10.266 -10.736 1.00 0.00 H new ATOM 0 HA ILE A 406 -11.524 7.540 -11.290 1.00 0.00 H new ATOM 0 HB ILE A 406 -12.382 9.214 -8.931 1.00 0.00 H new ATOM 0 HG12 ILE A 406 -9.994 7.343 -9.283 1.00 0.00 H new ATOM 0 HG13 ILE A 406 -9.914 9.032 -9.744 1.00 0.00 H new ATOM 0 HG21 ILE A 406 -12.392 7.120 -7.624 1.00 0.00 H new ATOM 0 HG22 ILE A 406 -13.647 7.113 -8.887 1.00 0.00 H new ATOM 0 HG23 ILE A 406 -12.144 6.187 -9.119 1.00 0.00 H new ATOM 0 HD11 ILE A 406 -8.994 8.698 -7.478 1.00 0.00 H new ATOM 0 HD12 ILE A 406 -10.458 9.709 -7.411 1.00 0.00 H new ATOM 0 HD13 ILE A 406 -10.539 7.994 -6.943 1.00 0.00 H new ATOM 594 N LEU A 407 -14.497 8.982 -11.207 1.00 0.00 N ATOM 595 CA LEU A 407 -15.897 8.838 -11.592 1.00 0.00 C ATOM 596 C LEU A 407 -15.988 8.341 -13.038 1.00 0.00 C ATOM 597 O LEU A 407 -16.733 7.409 -13.327 1.00 0.00 O ATOM 598 CB LEU A 407 -16.642 10.170 -11.395 1.00 0.00 C ATOM 599 CG LEU A 407 -18.167 10.053 -11.210 1.00 0.00 C ATOM 600 CD1 LEU A 407 -18.719 11.435 -10.845 1.00 0.00 C ATOM 601 CD2 LEU A 407 -18.910 9.550 -12.453 1.00 0.00 C ATOM 0 H LEU A 407 -14.269 9.913 -10.858 1.00 0.00 H new ATOM 0 HA LEU A 407 -16.378 8.098 -10.953 1.00 0.00 H new ATOM 0 HB2 LEU A 407 -16.225 10.675 -10.523 1.00 0.00 H new ATOM 0 HB3 LEU A 407 -16.445 10.808 -12.257 1.00 0.00 H new ATOM 0 HG LEU A 407 -18.331 9.316 -10.424 1.00 0.00 H new ATOM 0 HD11 LEU A 407 -19.799 11.371 -10.710 1.00 0.00 H new ATOM 0 HD12 LEU A 407 -18.257 11.778 -9.919 1.00 0.00 H new ATOM 0 HD13 LEU A 407 -18.494 12.140 -11.646 1.00 0.00 H new ATOM 0 HD21 LEU A 407 -19.978 9.496 -12.241 1.00 0.00 H new ATOM 0 HD22 LEU A 407 -18.739 10.237 -13.282 1.00 0.00 H new ATOM 0 HD23 LEU A 407 -18.542 8.559 -12.721 1.00 0.00 H new ATOM 613 N LEU A 408 -15.226 8.953 -13.952 1.00 0.00 N ATOM 614 CA LEU A 408 -15.234 8.562 -15.357 1.00 0.00 C ATOM 615 C LEU A 408 -14.568 7.196 -15.568 1.00 0.00 C ATOM 616 O LEU A 408 -15.025 6.411 -16.396 1.00 0.00 O ATOM 617 CB LEU A 408 -14.551 9.639 -16.217 1.00 0.00 C ATOM 618 CG LEU A 408 -15.528 10.696 -16.760 1.00 0.00 C ATOM 619 CD1 LEU A 408 -16.197 11.523 -15.657 1.00 0.00 C ATOM 620 CD2 LEU A 408 -14.779 11.643 -17.704 1.00 0.00 C ATOM 0 H LEU A 408 -14.594 9.725 -13.737 1.00 0.00 H new ATOM 0 HA LEU A 408 -16.274 8.470 -15.671 1.00 0.00 H new ATOM 0 HB2 LEU A 408 -13.783 10.135 -15.623 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -14.045 9.158 -17.054 1.00 0.00 H new ATOM 0 HG LEU A 408 -16.317 10.156 -17.284 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -16.873 12.250 -16.107 1.00 0.00 H new ATOM 0 HD12 LEU A 408 -16.760 10.862 -14.998 1.00 0.00 H new ATOM 0 HD13 LEU A 408 -15.434 12.046 -15.081 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -15.469 12.393 -18.090 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -13.974 12.137 -17.160 1.00 0.00 H new ATOM 0 HD23 LEU A 408 -14.361 11.074 -18.534 1.00 0.00 H new ATOM 632 N HIS A 409 -13.480 6.917 -14.844 1.00 0.00 N ATOM 633 CA HIS A 409 -12.722 5.682 -14.975 1.00 0.00 C ATOM 634 C HIS A 409 -13.449 4.432 -14.475 1.00 0.00 C ATOM 635 O HIS A 409 -13.224 3.364 -15.042 1.00 0.00 O ATOM 636 CB HIS A 409 -11.373 5.813 -14.257 1.00 0.00 C ATOM 637 CG HIS A 409 -10.459 6.858 -14.843 1.00 0.00 C ATOM 638 ND1 HIS A 409 -10.124 6.890 -16.188 1.00 0.00 N ATOM 639 CD2 HIS A 409 -9.796 7.922 -14.283 1.00 0.00 C ATOM 640 CE1 HIS A 409 -9.301 7.939 -16.371 1.00 0.00 C ATOM 641 NE2 HIS A 409 -9.062 8.610 -15.243 1.00 0.00 N ATOM 0 H HIS A 409 -13.101 7.554 -14.143 1.00 0.00 H new ATOM 0 HA HIS A 409 -12.581 5.540 -16.046 1.00 0.00 H new ATOM 0 HB2 HIS A 409 -11.554 6.051 -13.209 1.00 0.00 H new ATOM 0 HB3 HIS A 409 -10.866 4.848 -14.282 1.00 0.00 H new ATOM 0 HD2 HIS A 409 -9.839 8.189 -13.237 1.00 0.00 H new ATOM 0 HE1 HIS A 409 -8.879 8.209 -17.328 1.00 0.00 H new ATOM 0 HE2 HIS A 409 -8.477 9.436 -15.115 1.00 0.00 H new ATOM 649 N TYR A 410 -14.275 4.528 -13.422 1.00 0.00 N ATOM 650 CA TYR A 410 -14.944 3.359 -12.850 1.00 0.00 C ATOM 651 C TYR A 410 -16.457 3.503 -12.695 1.00 0.00 C ATOM 652 O TYR A 410 -17.017 4.588 -12.824 1.00 0.00 O ATOM 653 CB TYR A 410 -14.257 3.000 -11.532 1.00 0.00 C ATOM 654 CG TYR A 410 -12.782 2.704 -11.717 1.00 0.00 C ATOM 655 CD1 TYR A 410 -12.382 1.457 -12.228 1.00 0.00 C ATOM 656 CD2 TYR A 410 -11.815 3.675 -11.400 1.00 0.00 C ATOM 657 CE1 TYR A 410 -11.019 1.180 -12.424 1.00 0.00 C ATOM 658 CE2 TYR A 410 -10.451 3.399 -11.597 1.00 0.00 C ATOM 659 CZ TYR A 410 -10.053 2.152 -12.111 1.00 0.00 C ATOM 660 OH TYR A 410 -8.731 1.879 -12.315 1.00 0.00 O ATOM 0 H TYR A 410 -14.493 5.406 -12.952 1.00 0.00 H new ATOM 0 HA TYR A 410 -14.840 2.540 -13.562 1.00 0.00 H new ATOM 0 HB2 TYR A 410 -14.375 3.823 -10.827 1.00 0.00 H new ATOM 0 HB3 TYR A 410 -14.748 2.131 -11.093 1.00 0.00 H new ATOM 0 HD1 TYR A 410 -13.124 0.711 -12.470 1.00 0.00 H new ATOM 0 HD2 TYR A 410 -12.121 4.633 -11.005 1.00 0.00 H new ATOM 0 HE1 TYR A 410 -10.713 0.221 -12.815 1.00 0.00 H new ATOM 0 HE2 TYR A 410 -9.709 4.145 -11.354 1.00 0.00 H new ATOM 0 HH TYR A 410 -8.315 2.622 -12.800 1.00 0.00 H new ATOM 670 N LYS A 411 -17.115 2.365 -12.437 1.00 0.00 N ATOM 671 CA LYS A 411 -18.557 2.258 -12.288 1.00 0.00 C ATOM 672 C LYS A 411 -19.062 2.872 -10.982 1.00 0.00 C ATOM 673 O LYS A 411 -18.512 2.611 -9.913 1.00 0.00 O ATOM 674 CB LYS A 411 -18.977 0.785 -12.325 1.00 0.00 C ATOM 675 CG LYS A 411 -18.672 0.096 -13.663 1.00 0.00 C ATOM 676 CD LYS A 411 -19.314 -1.299 -13.709 1.00 0.00 C ATOM 677 CE LYS A 411 -18.546 -2.326 -12.864 1.00 0.00 C ATOM 678 NZ LYS A 411 -19.416 -3.432 -12.420 1.00 0.00 N ATOM 0 H LYS A 411 -16.636 1.471 -12.324 1.00 0.00 H new ATOM 0 HA LYS A 411 -18.998 2.812 -13.117 1.00 0.00 H new ATOM 0 HB2 LYS A 411 -18.467 0.249 -11.525 1.00 0.00 H new ATOM 0 HB3 LYS A 411 -20.046 0.715 -12.124 1.00 0.00 H new ATOM 0 HG2 LYS A 411 -19.049 0.703 -14.486 1.00 0.00 H new ATOM 0 HG3 LYS A 411 -17.594 0.011 -13.797 1.00 0.00 H new ATOM 0 HD2 LYS A 411 -20.342 -1.235 -13.352 1.00 0.00 H new ATOM 0 HD3 LYS A 411 -19.357 -1.642 -14.743 1.00 0.00 H new ATOM 0 HE2 LYS A 411 -17.716 -2.728 -13.446 1.00 0.00 H new ATOM 0 HE3 LYS A 411 -18.115 -1.831 -11.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 -18.865 -4.095 -11.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 -20.203 -3.050 -11.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 -19.794 -3.931 -13.250 1.00 0.00 H new ATOM 692 N PHE A 412 -20.136 3.658 -11.094 1.00 0.00 N ATOM 693 CA PHE A 412 -20.836 4.317 -10.004 1.00 0.00 C ATOM 694 C PHE A 412 -22.284 4.460 -10.463 1.00 0.00 C ATOM 695 O PHE A 412 -22.516 4.926 -11.577 1.00 0.00 O ATOM 696 CB PHE A 412 -20.194 5.671 -9.701 1.00 0.00 C ATOM 697 CG PHE A 412 -18.804 5.561 -9.103 1.00 0.00 C ATOM 698 CD1 PHE A 412 -18.641 5.083 -7.789 1.00 0.00 C ATOM 699 CD2 PHE A 412 -17.675 5.923 -9.858 1.00 0.00 C ATOM 700 CE1 PHE A 412 -17.357 4.974 -7.232 1.00 0.00 C ATOM 701 CE2 PHE A 412 -16.390 5.814 -9.298 1.00 0.00 C ATOM 702 CZ PHE A 412 -16.231 5.344 -7.984 1.00 0.00 C ATOM 0 H PHE A 412 -20.559 3.858 -12.000 1.00 0.00 H new ATOM 0 HA PHE A 412 -20.784 3.745 -9.077 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -20.140 6.253 -10.621 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -20.835 6.222 -9.013 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -19.506 4.799 -7.208 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -17.795 6.285 -10.868 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -17.235 4.605 -6.224 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -15.523 6.092 -9.879 1.00 0.00 H new ATOM 0 HZ PHE A 412 -15.244 5.267 -7.553 1.00 0.00 H new ATOM 712 N ASN A 413 -23.253 4.038 -9.643 1.00 0.00 N ATOM 713 CA ASN A 413 -24.660 4.084 -10.036 1.00 0.00 C ATOM 714 C ASN A 413 -25.255 5.492 -9.961 1.00 0.00 C ATOM 715 O ASN A 413 -25.846 5.955 -10.933 1.00 0.00 O ATOM 716 CB ASN A 413 -25.492 3.017 -9.303 1.00 0.00 C ATOM 717 CG ASN A 413 -26.032 3.450 -7.943 1.00 0.00 C ATOM 718 OD1 ASN A 413 -27.232 3.648 -7.781 1.00 0.00 O ATOM 719 ND2 ASN A 413 -25.165 3.604 -6.948 1.00 0.00 N ATOM 0 H ASN A 413 -23.087 3.663 -8.709 1.00 0.00 H new ATOM 0 HA ASN A 413 -24.704 3.824 -11.094 1.00 0.00 H new ATOM 0 HB2 ASN A 413 -26.331 2.732 -9.937 1.00 0.00 H new ATOM 0 HB3 ASN A 413 -24.878 2.127 -9.168 1.00 0.00 H new ATOM 0 HD21 ASN A 413 -25.493 3.892 -6.026 1.00 0.00 H new ATOM 0 HD22 ASN A 413 -24.172 3.434 -7.106 1.00 0.00 H new ATOM 726 N ASN A 414 -25.111 6.174 -8.818 1.00 0.00 N ATOM 727 CA ASN A 414 -25.638 7.518 -8.601 1.00 0.00 C ATOM 728 C ASN A 414 -24.728 8.244 -7.615 1.00 0.00 C ATOM 729 O ASN A 414 -25.070 8.369 -6.439 1.00 0.00 O ATOM 730 CB ASN A 414 -27.081 7.446 -8.067 1.00 0.00 C ATOM 731 CG ASN A 414 -28.093 7.066 -9.144 1.00 0.00 C ATOM 732 OD1 ASN A 414 -28.522 7.918 -9.918 1.00 0.00 O ATOM 733 ND2 ASN A 414 -28.502 5.798 -9.191 1.00 0.00 N ATOM 0 H ASN A 414 -24.617 5.798 -8.009 1.00 0.00 H new ATOM 0 HA ASN A 414 -25.661 8.066 -9.543 1.00 0.00 H new ATOM 0 HB2 ASN A 414 -27.128 6.717 -7.258 1.00 0.00 H new ATOM 0 HB3 ASN A 414 -27.355 8.412 -7.642 1.00 0.00 H new ATOM 0 HD21 ASN A 414 -29.192 5.510 -9.885 1.00 0.00 H new ATOM 0 HD22 ASN A 414 -28.125 5.116 -8.533 1.00 0.00 H new ATOM 740 N ARG A 415 -23.570 8.709 -8.100 1.00 0.00 N ATOM 741 CA ARG A 415 -22.564 9.422 -7.320 1.00 0.00 C ATOM 742 C ARG A 415 -22.119 10.677 -8.078 1.00 0.00 C ATOM 743 O ARG A 415 -22.452 10.849 -9.250 1.00 0.00 O ATOM 744 CB ARG A 415 -21.360 8.506 -7.037 1.00 0.00 C ATOM 745 CG ARG A 415 -21.735 7.109 -6.519 1.00 0.00 C ATOM 746 CD ARG A 415 -22.404 7.123 -5.144 1.00 0.00 C ATOM 747 NE ARG A 415 -22.933 5.793 -4.817 1.00 0.00 N ATOM 748 CZ ARG A 415 -24.187 5.492 -4.448 1.00 0.00 C ATOM 749 NH1 ARG A 415 -25.175 6.398 -4.467 1.00 0.00 N ATOM 750 NH2 ARG A 415 -24.449 4.242 -4.065 1.00 0.00 N ATOM 0 H ARG A 415 -23.304 8.593 -9.078 1.00 0.00 H new ATOM 0 HA ARG A 415 -22.997 9.721 -6.365 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -20.778 8.397 -7.952 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -20.714 8.991 -6.305 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -22.406 6.634 -7.235 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -20.835 6.496 -6.469 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -21.684 7.431 -4.386 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -23.212 7.855 -5.133 1.00 0.00 H new ATOM 0 HE ARG A 415 -22.277 5.015 -4.877 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -24.985 7.353 -4.769 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -26.117 6.132 -4.179 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -23.705 3.544 -4.058 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -25.393 3.984 -3.779 1.00 0.00 H new ATOM 764 N THR A 416 -21.368 11.550 -7.398 1.00 0.00 N ATOM 765 CA THR A 416 -20.846 12.803 -7.929 1.00 0.00 C ATOM 766 C THR A 416 -19.445 13.032 -7.361 1.00 0.00 C ATOM 767 O THR A 416 -19.037 12.339 -6.430 1.00 0.00 O ATOM 768 CB THR A 416 -21.766 13.975 -7.538 1.00 0.00 C ATOM 769 OG1 THR A 416 -21.676 14.226 -6.148 1.00 0.00 O ATOM 770 CG2 THR A 416 -23.232 13.742 -7.913 1.00 0.00 C ATOM 0 H THR A 416 -21.100 11.392 -6.427 1.00 0.00 H new ATOM 0 HA THR A 416 -20.803 12.747 -9.017 1.00 0.00 H new ATOM 0 HB THR A 416 -21.418 14.838 -8.105 1.00 0.00 H new ATOM 0 HG1 THR A 416 -22.264 14.974 -5.912 1.00 0.00 H new ATOM 0 HG21 THR A 416 -23.826 14.604 -7.610 1.00 0.00 H new ATOM 0 HG22 THR A 416 -23.314 13.605 -8.991 1.00 0.00 H new ATOM 0 HG23 THR A 416 -23.600 12.851 -7.405 1.00 0.00 H new ATOM 778 N SER A 417 -18.719 14.019 -7.903 1.00 0.00 N ATOM 779 CA SER A 417 -17.380 14.373 -7.443 1.00 0.00 C ATOM 780 C SER A 417 -17.396 14.664 -5.940 1.00 0.00 C ATOM 781 O SER A 417 -16.577 14.125 -5.198 1.00 0.00 O ATOM 782 CB SER A 417 -16.842 15.562 -8.247 1.00 0.00 C ATOM 783 OG SER A 417 -16.700 15.205 -9.608 1.00 0.00 O ATOM 0 H SER A 417 -19.051 14.594 -8.677 1.00 0.00 H new ATOM 0 HA SER A 417 -16.708 13.531 -7.608 1.00 0.00 H new ATOM 0 HB2 SER A 417 -17.520 16.410 -8.155 1.00 0.00 H new ATOM 0 HB3 SER A 417 -15.880 15.878 -7.844 1.00 0.00 H new ATOM 0 HG SER A 417 -15.816 15.480 -9.928 1.00 0.00 H new ATOM 789 N VAL A 418 -18.342 15.502 -5.488 1.00 0.00 N ATOM 790 CA VAL A 418 -18.473 15.832 -4.075 1.00 0.00 C ATOM 791 C VAL A 418 -18.820 14.585 -3.253 1.00 0.00 C ATOM 792 O VAL A 418 -18.288 14.416 -2.159 1.00 0.00 O ATOM 793 CB VAL A 418 -19.438 17.009 -3.833 1.00 0.00 C ATOM 794 CG1 VAL A 418 -18.877 18.296 -4.453 1.00 0.00 C ATOM 795 CG2 VAL A 418 -20.861 16.783 -4.353 1.00 0.00 C ATOM 0 H VAL A 418 -19.026 15.961 -6.090 1.00 0.00 H new ATOM 0 HA VAL A 418 -17.503 16.183 -3.723 1.00 0.00 H new ATOM 0 HB VAL A 418 -19.513 17.096 -2.749 1.00 0.00 H new ATOM 0 HG11 VAL A 418 -19.570 19.118 -4.274 1.00 0.00 H new ATOM 0 HG12 VAL A 418 -17.913 18.528 -4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 418 -18.749 18.157 -5.526 1.00 0.00 H new ATOM 0 HG21 VAL A 418 -21.470 17.661 -4.140 1.00 0.00 H new ATOM 0 HG22 VAL A 418 -20.832 16.614 -5.429 1.00 0.00 H new ATOM 0 HG23 VAL A 418 -21.294 15.913 -3.860 1.00 0.00 H new ATOM 805 N MET A 419 -19.684 13.699 -3.769 1.00 0.00 N ATOM 806 CA MET A 419 -20.039 12.478 -3.057 1.00 0.00 C ATOM 807 C MET A 419 -18.786 11.626 -2.828 1.00 0.00 C ATOM 808 O MET A 419 -18.515 11.232 -1.699 1.00 0.00 O ATOM 809 CB MET A 419 -21.132 11.698 -3.809 1.00 0.00 C ATOM 810 CG MET A 419 -22.411 11.555 -2.981 1.00 0.00 C ATOM 811 SD MET A 419 -22.226 10.693 -1.398 1.00 0.00 S ATOM 812 CE MET A 419 -23.953 10.681 -0.857 1.00 0.00 C ATOM 0 H MET A 419 -20.144 13.810 -4.673 1.00 0.00 H new ATOM 0 HA MET A 419 -20.452 12.743 -2.084 1.00 0.00 H new ATOM 0 HB2 MET A 419 -21.362 12.208 -4.745 1.00 0.00 H new ATOM 0 HB3 MET A 419 -20.757 10.708 -4.069 1.00 0.00 H new ATOM 0 HG2 MET A 419 -22.811 12.551 -2.788 1.00 0.00 H new ATOM 0 HG3 MET A 419 -23.152 11.025 -3.579 1.00 0.00 H new ATOM 0 HE1 MET A 419 -24.028 10.184 0.110 1.00 0.00 H new ATOM 0 HE2 MET A 419 -24.313 11.706 -0.767 1.00 0.00 H new ATOM 0 HE3 MET A 419 -24.559 10.146 -1.588 1.00 0.00 H new ATOM 822 N LEU A 420 -18.023 11.354 -3.894 1.00 0.00 N ATOM 823 CA LEU A 420 -16.788 10.571 -3.851 1.00 0.00 C ATOM 824 C LEU A 420 -15.812 11.185 -2.843 1.00 0.00 C ATOM 825 O LEU A 420 -15.283 10.489 -1.977 1.00 0.00 O ATOM 826 CB LEU A 420 -16.164 10.517 -5.255 1.00 0.00 C ATOM 827 CG LEU A 420 -17.030 9.731 -6.253 1.00 0.00 C ATOM 828 CD1 LEU A 420 -16.789 10.226 -7.677 1.00 0.00 C ATOM 829 CD2 LEU A 420 -16.714 8.235 -6.232 1.00 0.00 C ATOM 0 H LEU A 420 -18.256 11.682 -4.832 1.00 0.00 H new ATOM 0 HA LEU A 420 -17.013 9.554 -3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 420 -16.020 11.532 -5.625 1.00 0.00 H new ATOM 0 HB3 LEU A 420 -15.178 10.057 -5.194 1.00 0.00 H new ATOM 0 HG LEU A 420 -18.065 9.890 -5.952 1.00 0.00 H new ATOM 0 HD11 LEU A 420 -17.410 9.658 -8.370 1.00 0.00 H new ATOM 0 HD12 LEU A 420 -17.045 11.283 -7.743 1.00 0.00 H new ATOM 0 HD13 LEU A 420 -15.739 10.090 -7.937 1.00 0.00 H new ATOM 0 HD21 LEU A 420 -17.349 7.719 -6.952 1.00 0.00 H new ATOM 0 HD22 LEU A 420 -15.667 8.080 -6.495 1.00 0.00 H new ATOM 0 HD23 LEU A 420 -16.900 7.838 -5.234 1.00 0.00 H new ATOM 841 N LYS A 421 -15.595 12.499 -2.963 1.00 0.00 N ATOM 842 CA LYS A 421 -14.727 13.281 -2.099 1.00 0.00 C ATOM 843 C LYS A 421 -15.074 13.071 -0.630 1.00 0.00 C ATOM 844 O LYS A 421 -14.251 12.587 0.146 1.00 0.00 O ATOM 845 CB LYS A 421 -14.867 14.765 -2.487 1.00 0.00 C ATOM 846 CG LYS A 421 -14.300 15.769 -1.472 1.00 0.00 C ATOM 847 CD LYS A 421 -14.561 17.195 -1.980 1.00 0.00 C ATOM 848 CE LYS A 421 -14.631 18.229 -0.848 1.00 0.00 C ATOM 849 NZ LYS A 421 -15.857 18.092 -0.030 1.00 0.00 N ATOM 0 H LYS A 421 -16.037 13.059 -3.691 1.00 0.00 H new ATOM 0 HA LYS A 421 -13.695 12.957 -2.231 1.00 0.00 H new ATOM 0 HB2 LYS A 421 -14.369 14.921 -3.444 1.00 0.00 H new ATOM 0 HB3 LYS A 421 -15.924 14.985 -2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 421 -14.768 15.625 -0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 421 -13.230 15.607 -1.339 1.00 0.00 H new ATOM 0 HD2 LYS A 421 -13.771 17.478 -2.675 1.00 0.00 H new ATOM 0 HD3 LYS A 421 -15.497 17.211 -2.538 1.00 0.00 H new ATOM 0 HE2 LYS A 421 -13.756 18.121 -0.207 1.00 0.00 H new ATOM 0 HE3 LYS A 421 -14.592 19.232 -1.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 421 -16.100 19.013 0.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 421 -16.641 17.767 -0.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 421 -15.693 17.400 0.729 1.00 0.00 H new ATOM 863 N ASP A 422 -16.289 13.471 -0.246 1.00 0.00 N ATOM 864 CA ASP A 422 -16.738 13.398 1.131 1.00 0.00 C ATOM 865 C ASP A 422 -16.862 11.961 1.633 1.00 0.00 C ATOM 866 O ASP A 422 -16.603 11.718 2.808 1.00 0.00 O ATOM 867 CB ASP A 422 -17.964 14.293 1.330 1.00 0.00 C ATOM 868 CG ASP A 422 -17.575 15.754 1.091 1.00 0.00 C ATOM 869 OD1 ASP A 422 -16.657 16.227 1.802 1.00 0.00 O ATOM 870 OD2 ASP A 422 -18.130 16.388 0.170 1.00 0.00 O ATOM 0 H ASP A 422 -16.983 13.854 -0.888 1.00 0.00 H new ATOM 0 HA ASP A 422 -15.971 13.808 1.788 1.00 0.00 H new ATOM 0 HB2 ASP A 422 -18.757 14.000 0.642 1.00 0.00 H new ATOM 0 HB3 ASP A 422 -18.357 14.171 2.339 1.00 0.00 H new ATOM 875 N ARG A 423 -17.208 11.003 0.767 1.00 0.00 N ATOM 876 CA ARG A 423 -17.281 9.594 1.139 1.00 0.00 C ATOM 877 C ARG A 423 -15.905 9.168 1.637 1.00 0.00 C ATOM 878 O ARG A 423 -15.774 8.673 2.755 1.00 0.00 O ATOM 879 CB ARG A 423 -17.723 8.741 -0.061 1.00 0.00 C ATOM 880 CG ARG A 423 -17.548 7.221 0.117 1.00 0.00 C ATOM 881 CD ARG A 423 -18.321 6.683 1.324 1.00 0.00 C ATOM 882 NE ARG A 423 -18.463 5.217 1.276 1.00 0.00 N ATOM 883 CZ ARG A 423 -19.193 4.508 2.152 1.00 0.00 C ATOM 884 NH1 ARG A 423 -19.776 5.120 3.191 1.00 0.00 N ATOM 885 NH2 ARG A 423 -19.354 3.190 1.997 1.00 0.00 N ATOM 0 H ARG A 423 -17.444 11.186 -0.208 1.00 0.00 H new ATOM 0 HA ARG A 423 -18.020 9.448 1.927 1.00 0.00 H new ATOM 0 HB2 ARG A 423 -18.773 8.948 -0.267 1.00 0.00 H new ATOM 0 HB3 ARG A 423 -17.158 9.056 -0.938 1.00 0.00 H new ATOM 0 HG2 ARG A 423 -17.886 6.711 -0.785 1.00 0.00 H new ATOM 0 HG3 ARG A 423 -16.489 6.991 0.235 1.00 0.00 H new ATOM 0 HD2 ARG A 423 -17.806 6.968 2.241 1.00 0.00 H new ATOM 0 HD3 ARG A 423 -19.309 7.143 1.357 1.00 0.00 H new ATOM 0 HE ARG A 423 -17.979 4.711 0.534 1.00 0.00 H new ATOM 0 HH11 ARG A 423 -19.666 6.126 3.318 1.00 0.00 H new ATOM 0 HH12 ARG A 423 -20.330 4.580 3.856 1.00 0.00 H new ATOM 0 HH21 ARG A 423 -18.920 2.713 1.207 1.00 0.00 H new ATOM 0 HH22 ARG A 423 -19.911 2.662 2.669 1.00 0.00 H new ATOM 899 N TRP A 424 -14.881 9.373 0.802 1.00 0.00 N ATOM 900 CA TRP A 424 -13.515 9.020 1.133 1.00 0.00 C ATOM 901 C TRP A 424 -13.037 9.767 2.375 1.00 0.00 C ATOM 902 O TRP A 424 -12.444 9.161 3.261 1.00 0.00 O ATOM 903 CB TRP A 424 -12.609 9.321 -0.058 1.00 0.00 C ATOM 904 CG TRP A 424 -11.200 8.853 0.116 1.00 0.00 C ATOM 905 CD1 TRP A 424 -10.150 9.619 0.476 1.00 0.00 C ATOM 906 CD2 TRP A 424 -10.669 7.508 -0.057 1.00 0.00 C ATOM 907 NE1 TRP A 424 -9.006 8.853 0.527 1.00 0.00 N ATOM 908 CE2 TRP A 424 -9.270 7.538 0.209 1.00 0.00 C ATOM 909 CE3 TRP A 424 -11.231 6.263 -0.414 1.00 0.00 C ATOM 910 CZ2 TRP A 424 -8.465 6.392 0.121 1.00 0.00 C ATOM 911 CZ3 TRP A 424 -10.434 5.109 -0.501 1.00 0.00 C ATOM 912 CH2 TRP A 424 -9.053 5.171 -0.236 1.00 0.00 C ATOM 0 H TRP A 424 -14.987 9.790 -0.123 1.00 0.00 H new ATOM 0 HA TRP A 424 -13.474 7.954 1.356 1.00 0.00 H new ATOM 0 HB2 TRP A 424 -13.029 8.853 -0.948 1.00 0.00 H new ATOM 0 HB3 TRP A 424 -12.604 10.396 -0.235 1.00 0.00 H new ATOM 0 HD1 TRP A 424 -10.199 10.676 0.692 1.00 0.00 H new ATOM 0 HE1 TRP A 424 -8.083 9.213 0.769 1.00 0.00 H new ATOM 0 HE3 TRP A 424 -12.288 6.197 -0.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 424 -7.406 6.450 0.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 424 -10.885 4.166 -0.774 1.00 0.00 H new ATOM 0 HH2 TRP A 424 -8.448 4.279 -0.308 1.00 0.00 H new ATOM 923 N ARG A 425 -13.291 11.078 2.440 1.00 0.00 N ATOM 924 CA ARG A 425 -12.893 11.930 3.552 1.00 0.00 C ATOM 925 C ARG A 425 -13.454 11.401 4.879 1.00 0.00 C ATOM 926 O ARG A 425 -12.699 11.150 5.817 1.00 0.00 O ATOM 927 CB ARG A 425 -13.359 13.360 3.253 1.00 0.00 C ATOM 928 CG ARG A 425 -12.768 14.407 4.201 1.00 0.00 C ATOM 929 CD ARG A 425 -13.145 15.817 3.721 1.00 0.00 C ATOM 930 NE ARG A 425 -14.603 16.021 3.669 1.00 0.00 N ATOM 931 CZ ARG A 425 -15.397 16.311 4.710 1.00 0.00 C ATOM 932 NH1 ARG A 425 -14.895 16.437 5.945 1.00 0.00 N ATOM 933 NH2 ARG A 425 -16.705 16.482 4.496 1.00 0.00 N ATOM 0 H ARG A 425 -13.788 11.581 1.705 1.00 0.00 H new ATOM 0 HA ARG A 425 -11.808 11.927 3.660 1.00 0.00 H new ATOM 0 HB2 ARG A 425 -13.088 13.615 2.229 1.00 0.00 H new ATOM 0 HB3 ARG A 425 -14.447 13.399 3.314 1.00 0.00 H new ATOM 0 HG2 ARG A 425 -13.140 14.246 5.213 1.00 0.00 H new ATOM 0 HG3 ARG A 425 -11.684 14.304 4.240 1.00 0.00 H new ATOM 0 HD2 ARG A 425 -12.701 16.556 4.388 1.00 0.00 H new ATOM 0 HD3 ARG A 425 -12.722 15.986 2.731 1.00 0.00 H new ATOM 0 HE ARG A 425 -15.050 15.934 2.756 1.00 0.00 H new ATOM 0 HH11 ARG A 425 -13.895 16.312 6.104 1.00 0.00 H new ATOM 0 HH12 ARG A 425 -15.512 16.658 6.726 1.00 0.00 H new ATOM 0 HH21 ARG A 425 -17.084 16.391 3.553 1.00 0.00 H new ATOM 0 HH22 ARG A 425 -17.325 16.703 5.275 1.00 0.00 H new ATOM 947 N THR A 426 -14.779 11.234 4.954 1.00 0.00 N ATOM 948 CA THR A 426 -15.473 10.743 6.134 1.00 0.00 C ATOM 949 C THR A 426 -14.999 9.334 6.497 1.00 0.00 C ATOM 950 O THR A 426 -14.676 9.084 7.655 1.00 0.00 O ATOM 951 CB THR A 426 -16.988 10.806 5.893 1.00 0.00 C ATOM 952 OG1 THR A 426 -17.357 12.146 5.636 1.00 0.00 O ATOM 953 CG2 THR A 426 -17.788 10.313 7.102 1.00 0.00 C ATOM 0 H THR A 426 -15.405 11.443 4.176 1.00 0.00 H new ATOM 0 HA THR A 426 -15.239 11.377 6.989 1.00 0.00 H new ATOM 0 HB THR A 426 -17.213 10.158 5.046 1.00 0.00 H new ATOM 0 HG1 THR A 426 -17.227 12.344 4.685 1.00 0.00 H new ATOM 0 HG21 THR A 426 -18.854 10.377 6.883 1.00 0.00 H new ATOM 0 HG22 THR A 426 -17.523 9.278 7.316 1.00 0.00 H new ATOM 0 HG23 THR A 426 -17.558 10.933 7.968 1.00 0.00 H new ATOM 961 N MET A 427 -14.952 8.417 5.523 1.00 0.00 N ATOM 962 CA MET A 427 -14.514 7.044 5.744 1.00 0.00 C ATOM 963 C MET A 427 -13.103 7.034 6.338 1.00 0.00 C ATOM 964 O MET A 427 -12.875 6.453 7.396 1.00 0.00 O ATOM 965 CB MET A 427 -14.592 6.274 4.417 1.00 0.00 C ATOM 966 CG MET A 427 -14.306 4.778 4.578 1.00 0.00 C ATOM 967 SD MET A 427 -14.458 3.850 3.028 1.00 0.00 S ATOM 968 CE MET A 427 -14.206 2.172 3.652 1.00 0.00 C ATOM 0 H MET A 427 -15.219 8.613 4.558 1.00 0.00 H new ATOM 0 HA MET A 427 -15.167 6.547 6.462 1.00 0.00 H new ATOM 0 HB2 MET A 427 -15.584 6.405 3.985 1.00 0.00 H new ATOM 0 HB3 MET A 427 -13.879 6.701 3.712 1.00 0.00 H new ATOM 0 HG2 MET A 427 -13.299 4.648 4.974 1.00 0.00 H new ATOM 0 HG3 MET A 427 -14.994 4.360 5.313 1.00 0.00 H new ATOM 0 HE1 MET A 427 -14.267 1.464 2.826 1.00 0.00 H new ATOM 0 HE2 MET A 427 -13.224 2.101 4.119 1.00 0.00 H new ATOM 0 HE3 MET A 427 -14.975 1.938 4.388 1.00 0.00 H new ATOM 978 N LYS A 428 -12.163 7.692 5.655 1.00 0.00 N ATOM 979 CA LYS A 428 -10.774 7.802 6.067 1.00 0.00 C ATOM 980 C LYS A 428 -10.662 8.339 7.496 1.00 0.00 C ATOM 981 O LYS A 428 -9.916 7.782 8.298 1.00 0.00 O ATOM 982 CB LYS A 428 -10.015 8.667 5.047 1.00 0.00 C ATOM 983 CG LYS A 428 -8.534 8.840 5.404 1.00 0.00 C ATOM 984 CD LYS A 428 -7.697 9.381 4.238 1.00 0.00 C ATOM 985 CE LYS A 428 -8.193 10.742 3.735 1.00 0.00 C ATOM 986 NZ LYS A 428 -7.221 11.367 2.819 1.00 0.00 N ATOM 0 H LYS A 428 -12.359 8.174 4.777 1.00 0.00 H new ATOM 0 HA LYS A 428 -10.315 6.814 6.083 1.00 0.00 H new ATOM 0 HB2 LYS A 428 -10.096 8.212 4.060 1.00 0.00 H new ATOM 0 HB3 LYS A 428 -10.487 9.648 4.986 1.00 0.00 H new ATOM 0 HG2 LYS A 428 -8.447 9.519 6.252 1.00 0.00 H new ATOM 0 HG3 LYS A 428 -8.128 7.880 5.721 1.00 0.00 H new ATOM 0 HD2 LYS A 428 -6.658 9.472 4.554 1.00 0.00 H new ATOM 0 HD3 LYS A 428 -7.719 8.665 3.417 1.00 0.00 H new ATOM 0 HE2 LYS A 428 -9.147 10.616 3.224 1.00 0.00 H new ATOM 0 HE3 LYS A 428 -8.371 11.402 4.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 428 -7.697 12.100 2.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 428 -6.452 11.798 3.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 428 -6.828 10.644 2.184 1.00 0.00 H new ATOM 1000 N LYS A 429 -11.388 9.415 7.816 1.00 0.00 N ATOM 1001 CA LYS A 429 -11.338 10.034 9.134 1.00 0.00 C ATOM 1002 C LYS A 429 -11.959 9.185 10.252 1.00 0.00 C ATOM 1003 O LYS A 429 -11.358 9.056 11.315 1.00 0.00 O ATOM 1004 CB LYS A 429 -12.001 11.419 9.077 1.00 0.00 C ATOM 1005 CG LYS A 429 -11.684 12.228 10.344 1.00 0.00 C ATOM 1006 CD LYS A 429 -12.347 13.612 10.349 1.00 0.00 C ATOM 1007 CE LYS A 429 -13.861 13.520 10.584 1.00 0.00 C ATOM 1008 NZ LYS A 429 -14.458 14.850 10.802 1.00 0.00 N ATOM 0 H LYS A 429 -12.024 9.877 7.166 1.00 0.00 H new ATOM 0 HA LYS A 429 -10.283 10.127 9.393 1.00 0.00 H new ATOM 0 HB2 LYS A 429 -11.650 11.959 8.198 1.00 0.00 H new ATOM 0 HB3 LYS A 429 -13.080 11.307 8.972 1.00 0.00 H new ATOM 0 HG2 LYS A 429 -12.015 11.669 11.219 1.00 0.00 H new ATOM 0 HG3 LYS A 429 -10.604 12.347 10.432 1.00 0.00 H new ATOM 0 HD2 LYS A 429 -11.896 14.228 11.127 1.00 0.00 H new ATOM 0 HD3 LYS A 429 -12.157 14.109 9.398 1.00 0.00 H new ATOM 0 HE2 LYS A 429 -14.335 13.044 9.725 1.00 0.00 H new ATOM 0 HE3 LYS A 429 -14.058 12.886 11.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 429 -15.481 14.750 10.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 429 -14.023 15.293 11.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 429 -14.291 15.446 9.966 1.00 0.00 H new