USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 438 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 434 CYS SG : rot -68:sc= 0.313 USER MOD Set 1.2: A 436 THR OG1 : rot 170:sc= 0.365 USER MOD Set 1.3: A 439 CYS SG : rot -70:sc= -3.72! USER MOD Set 1.4: A 463 HIS : no HD1:sc= -0.0205 X(o=-3.1,f=-3) USER MOD Set 1.5: A 464 ASN : amide:sc= 0.00584 K(o=-3.1,f=-10!) USER MOD Set 1.6: A 465 HIS : no HD1:sc= 0.0004 K(o=-3.1,f=-4) USER MOD Set 2.1: A 430 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 432 TYR OH : rot 180:sc= -0.345 USER MOD Single : A 412 TYR OH : rot 180:sc= 0 USER MOD Single : A 416 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 417 TYR OH : rot 180:sc= -0.0296 USER MOD Single : A 419 GLN : amide:sc= -0.0731 X(o=-0.073,f=0) USER MOD Single : A 420 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 ASN : amide:sc= -3.25! C(o=-3.2!,f=-8.2!) USER MOD Single : A 427 TYR OH : rot 180:sc= 0 USER MOD Single : A 431 TYR OH : rot 30:sc= -0.526 USER MOD Single : A 433 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 435 THR OG1 : rot -69:sc= 0.608 USER MOD Single : A 443 LYS NZ :NH3+ 156:sc= 1.63 (180deg=-0.213) USER MOD Single : A 444 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.014) USER MOD Single : A 450 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 453 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 457 THR OG1 : rot 180:sc= 0 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 459 TYR OH : rot 180:sc= 0 USER MOD Single : A 462 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 185 N TYR A 412 0.905 8.792 8.157 1.00 0.00 N ATOM 186 CA TYR A 412 -0.175 9.635 7.656 1.00 0.00 C ATOM 187 C TYR A 412 -1.523 9.171 8.197 1.00 0.00 C ATOM 188 O TYR A 412 -1.663 8.036 8.653 1.00 0.00 O ATOM 189 CB TYR A 412 -0.193 9.619 6.126 1.00 0.00 C ATOM 190 CG TYR A 412 1.113 10.052 5.498 1.00 0.00 C ATOM 191 CD1 TYR A 412 1.422 11.397 5.350 1.00 0.00 C ATOM 192 CD2 TYR A 412 2.036 9.112 5.053 1.00 0.00 C ATOM 193 CE1 TYR A 412 2.615 11.795 4.777 1.00 0.00 C ATOM 194 CE2 TYR A 412 3.229 9.503 4.479 1.00 0.00 C ATOM 195 CZ TYR A 412 3.514 10.846 4.343 1.00 0.00 C ATOM 196 OH TYR A 412 4.703 11.238 3.771 1.00 0.00 O ATOM 0 HA TYR A 412 0.002 10.654 8.000 1.00 0.00 H new ATOM 0 HB2 TYR A 412 -0.434 8.612 5.785 1.00 0.00 H new ATOM 0 HB3 TYR A 412 -0.990 10.274 5.774 1.00 0.00 H new ATOM 0 HD1 TYR A 412 0.719 12.144 5.688 1.00 0.00 H new ATOM 0 HD2 TYR A 412 1.816 8.060 5.158 1.00 0.00 H new ATOM 0 HE1 TYR A 412 2.841 12.846 4.670 1.00 0.00 H new ATOM 0 HE2 TYR A 412 3.936 8.761 4.138 1.00 0.00 H new ATOM 0 HH TYR A 412 5.223 10.446 3.521 1.00 0.00 H new ATOM 206 N ARG A 413 -2.513 10.056 8.143 1.00 0.00 N ATOM 207 CA ARG A 413 -3.851 9.735 8.630 1.00 0.00 C ATOM 208 C ARG A 413 -4.623 8.919 7.599 1.00 0.00 C ATOM 209 O ARG A 413 -5.268 9.474 6.709 1.00 0.00 O ATOM 210 CB ARG A 413 -4.616 11.019 8.962 1.00 0.00 C ATOM 211 CG ARG A 413 -5.425 10.930 10.246 1.00 0.00 C ATOM 212 CD ARG A 413 -6.685 11.779 10.176 1.00 0.00 C ATOM 213 NE ARG A 413 -6.648 12.891 11.124 1.00 0.00 N ATOM 214 CZ ARG A 413 -7.468 13.939 11.069 1.00 0.00 C ATOM 215 NH1 ARG A 413 -8.388 14.021 10.116 1.00 0.00 N ATOM 216 NH2 ARG A 413 -7.367 14.906 11.970 1.00 0.00 N ATOM 0 H ARG A 413 -2.415 10.999 7.768 1.00 0.00 H new ATOM 0 HA ARG A 413 -3.749 9.137 9.536 1.00 0.00 H new ATOM 0 HB2 ARG A 413 -3.907 11.843 9.045 1.00 0.00 H new ATOM 0 HB3 ARG A 413 -5.286 11.257 8.136 1.00 0.00 H new ATOM 0 HG2 ARG A 413 -5.696 9.891 10.434 1.00 0.00 H new ATOM 0 HG3 ARG A 413 -4.812 11.257 11.086 1.00 0.00 H new ATOM 0 HD2 ARG A 413 -6.804 12.168 9.165 1.00 0.00 H new ATOM 0 HD3 ARG A 413 -7.555 11.155 10.382 1.00 0.00 H new ATOM 0 HE ARG A 413 -5.954 12.863 11.871 1.00 0.00 H new ATOM 0 HH11 ARG A 413 -8.470 13.279 9.421 1.00 0.00 H new ATOM 0 HH12 ARG A 413 -9.013 14.826 10.079 1.00 0.00 H new ATOM 0 HH21 ARG A 413 -6.662 14.847 12.705 1.00 0.00 H new ATOM 0 HH22 ARG A 413 -7.995 15.709 11.929 1.00 0.00 H new ATOM 230 N TRP A 414 -4.553 7.598 7.725 1.00 0.00 N ATOM 231 CA TRP A 414 -5.246 6.705 6.803 1.00 0.00 C ATOM 232 C TRP A 414 -6.580 6.248 7.387 1.00 0.00 C ATOM 233 O TRP A 414 -6.764 6.233 8.604 1.00 0.00 O ATOM 234 CB TRP A 414 -4.372 5.489 6.486 1.00 0.00 C ATOM 235 CG TRP A 414 -2.992 5.851 6.028 1.00 0.00 C ATOM 236 CD1 TRP A 414 -1.876 5.967 6.805 1.00 0.00 C ATOM 237 CD2 TRP A 414 -2.582 6.147 4.688 1.00 0.00 C ATOM 238 NE1 TRP A 414 -0.796 6.315 6.031 1.00 0.00 N ATOM 239 CE2 TRP A 414 -1.204 6.433 4.728 1.00 0.00 C ATOM 240 CE3 TRP A 414 -3.246 6.197 3.459 1.00 0.00 C ATOM 241 CZ2 TRP A 414 -0.479 6.763 3.586 1.00 0.00 C ATOM 242 CZ3 TRP A 414 -2.524 6.525 2.326 1.00 0.00 C ATOM 243 CH2 TRP A 414 -1.154 6.804 2.396 1.00 0.00 C ATOM 0 H TRP A 414 -4.024 7.122 8.456 1.00 0.00 H new ATOM 0 HA TRP A 414 -5.442 7.254 5.882 1.00 0.00 H new ATOM 0 HB2 TRP A 414 -4.299 4.862 7.374 1.00 0.00 H new ATOM 0 HB3 TRP A 414 -4.858 4.893 5.714 1.00 0.00 H new ATOM 0 HD1 TRP A 414 -1.846 5.808 7.873 1.00 0.00 H new ATOM 0 HE1 TRP A 414 0.155 6.462 6.371 1.00 0.00 H new ATOM 0 HE3 TRP A 414 -4.303 5.984 3.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 414 0.578 6.979 3.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 414 -3.026 6.567 1.371 1.00 0.00 H new ATOM 0 HH2 TRP A 414 -0.619 7.057 1.493 1.00 0.00 H new ATOM 254 N ARG A 415 -7.506 5.873 6.510 1.00 0.00 N ATOM 255 CA ARG A 415 -8.822 5.415 6.938 1.00 0.00 C ATOM 256 C ARG A 415 -9.287 4.234 6.091 1.00 0.00 C ATOM 257 O ARG A 415 -9.296 4.303 4.862 1.00 0.00 O ATOM 258 CB ARG A 415 -9.837 6.557 6.844 1.00 0.00 C ATOM 259 CG ARG A 415 -10.843 6.569 7.984 1.00 0.00 C ATOM 260 CD ARG A 415 -10.205 7.021 9.286 1.00 0.00 C ATOM 261 NE ARG A 415 -9.899 5.894 10.166 1.00 0.00 N ATOM 262 CZ ARG A 415 -9.040 5.959 11.179 1.00 0.00 C ATOM 263 NH1 ARG A 415 -8.402 7.092 11.448 1.00 0.00 N ATOM 264 NH2 ARG A 415 -8.819 4.887 11.929 1.00 0.00 N ATOM 0 H ARG A 415 -7.369 5.877 5.499 1.00 0.00 H new ATOM 0 HA ARG A 415 -8.748 5.089 7.975 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -9.303 7.507 6.831 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -10.373 6.480 5.898 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -11.670 7.233 7.733 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -11.263 5.571 8.111 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -9.289 7.571 9.069 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -10.876 7.710 9.799 1.00 0.00 H new ATOM 0 HE ARG A 415 -10.372 5.007 9.993 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -8.569 7.920 10.876 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -7.744 7.135 12.227 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -9.308 4.015 11.728 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -8.160 4.935 12.706 1.00 0.00 H new ATOM 278 N LYS A 416 -9.671 3.151 6.759 1.00 0.00 N ATOM 279 CA LYS A 416 -10.137 1.953 6.066 1.00 0.00 C ATOM 280 C LYS A 416 -11.528 2.169 5.482 1.00 0.00 C ATOM 281 O LYS A 416 -12.450 2.584 6.183 1.00 0.00 O ATOM 282 CB LYS A 416 -10.152 0.759 7.024 1.00 0.00 C ATOM 283 CG LYS A 416 -10.128 -0.586 6.316 1.00 0.00 C ATOM 284 CD LYS A 416 -10.713 -1.685 7.189 1.00 0.00 C ATOM 285 CE LYS A 416 -9.621 -2.489 7.878 1.00 0.00 C ATOM 286 NZ LYS A 416 -10.182 -3.594 8.703 1.00 0.00 N ATOM 0 H LYS A 416 -9.669 3.077 7.776 1.00 0.00 H new ATOM 0 HA LYS A 416 -9.448 1.745 5.247 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -9.291 0.826 7.689 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -11.043 0.816 7.649 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -10.693 -0.519 5.386 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -9.102 -0.839 6.049 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -11.370 -1.245 7.939 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -11.325 -2.349 6.579 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -8.946 -2.902 7.128 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -9.028 -1.828 8.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -9.406 -4.118 9.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -10.806 -3.198 9.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -10.727 -4.239 8.095 1.00 0.00 H new ATOM 300 N TYR A 417 -11.671 1.883 4.192 1.00 0.00 N ATOM 301 CA TYR A 417 -12.950 2.043 3.510 1.00 0.00 C ATOM 302 C TYR A 417 -13.461 0.705 2.986 1.00 0.00 C ATOM 303 O TYR A 417 -14.659 0.424 3.038 1.00 0.00 O ATOM 304 CB TYR A 417 -12.811 3.037 2.355 1.00 0.00 C ATOM 305 CG TYR A 417 -11.860 2.581 1.271 1.00 0.00 C ATOM 306 CD1 TYR A 417 -12.291 1.739 0.253 1.00 0.00 C ATOM 307 CD2 TYR A 417 -10.533 2.992 1.266 1.00 0.00 C ATOM 308 CE1 TYR A 417 -11.425 1.319 -0.739 1.00 0.00 C ATOM 309 CE2 TYR A 417 -9.662 2.576 0.277 1.00 0.00 C ATOM 310 CZ TYR A 417 -10.111 1.740 -0.722 1.00 0.00 C ATOM 311 OH TYR A 417 -9.247 1.324 -1.709 1.00 0.00 O ATOM 0 H TYR A 417 -10.917 1.539 3.598 1.00 0.00 H new ATOM 0 HA TYR A 417 -13.672 2.428 4.230 1.00 0.00 H new ATOM 0 HB2 TYR A 417 -13.793 3.209 1.915 1.00 0.00 H new ATOM 0 HB3 TYR A 417 -12.467 3.993 2.750 1.00 0.00 H new ATOM 0 HD1 TYR A 417 -13.319 1.408 0.237 1.00 0.00 H new ATOM 0 HD2 TYR A 417 -10.176 3.647 2.047 1.00 0.00 H new ATOM 0 HE1 TYR A 417 -11.775 0.665 -1.524 1.00 0.00 H new ATOM 0 HE2 TYR A 417 -8.633 2.905 0.287 1.00 0.00 H new ATOM 0 HH TYR A 417 -8.360 1.710 -1.552 1.00 0.00 H new ATOM 321 N GLY A 418 -12.546 -0.116 2.482 1.00 0.00 N ATOM 322 CA GLY A 418 -12.925 -1.415 1.956 1.00 0.00 C ATOM 323 C GLY A 418 -12.022 -2.527 2.454 1.00 0.00 C ATOM 324 O GLY A 418 -11.026 -2.271 3.130 1.00 0.00 O ATOM 0 H GLY A 418 -11.549 0.094 2.428 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -13.955 -1.632 2.240 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -12.894 -1.386 0.867 1.00 0.00 H new ATOM 328 N GLN A 419 -12.372 -3.765 2.121 1.00 0.00 N ATOM 329 CA GLN A 419 -11.586 -4.921 2.539 1.00 0.00 C ATOM 330 C GLN A 419 -12.124 -6.201 1.909 1.00 0.00 C ATOM 331 O GLN A 419 -13.333 -6.415 1.847 1.00 0.00 O ATOM 332 CB GLN A 419 -11.597 -5.045 4.065 1.00 0.00 C ATOM 333 CG GLN A 419 -12.992 -5.185 4.653 1.00 0.00 C ATOM 334 CD GLN A 419 -13.051 -6.200 5.778 1.00 0.00 C ATOM 335 OE1 GLN A 419 -13.378 -5.864 6.916 1.00 0.00 O ATOM 336 NE2 GLN A 419 -12.730 -7.450 5.466 1.00 0.00 N ATOM 0 H GLN A 419 -13.195 -3.994 1.563 1.00 0.00 H new ATOM 0 HA GLN A 419 -10.560 -4.775 2.200 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -11.001 -5.910 4.355 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -11.116 -4.167 4.496 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -13.324 -4.216 5.025 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -13.686 -5.480 3.866 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -12.465 -7.685 4.510 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -12.749 -8.175 6.183 1.00 0.00 H new ATOM 345 N LYS A 420 -11.213 -7.050 1.443 1.00 0.00 N ATOM 346 CA LYS A 420 -11.594 -8.310 0.816 1.00 0.00 C ATOM 347 C LYS A 420 -10.743 -9.460 1.347 1.00 0.00 C ATOM 348 O LYS A 420 -9.531 -9.322 1.515 1.00 0.00 O ATOM 349 CB LYS A 420 -11.449 -8.213 -0.703 1.00 0.00 C ATOM 350 CG LYS A 420 -10.021 -7.962 -1.164 1.00 0.00 C ATOM 351 CD LYS A 420 -9.385 -9.223 -1.725 1.00 0.00 C ATOM 352 CE LYS A 420 -9.346 -9.201 -3.245 1.00 0.00 C ATOM 353 NZ LYS A 420 -10.464 -9.983 -3.842 1.00 0.00 N ATOM 0 H LYS A 420 -10.207 -6.888 1.488 1.00 0.00 H new ATOM 0 HA LYS A 420 -12.637 -8.509 1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 420 -11.810 -9.137 -1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -12.087 -7.409 -1.070 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -10.015 -7.181 -1.925 1.00 0.00 H new ATOM 0 HG3 LYS A 420 -9.427 -7.595 -0.327 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -8.372 -9.324 -1.336 1.00 0.00 H new ATOM 0 HD3 LYS A 420 -9.945 -10.095 -1.387 1.00 0.00 H new ATOM 0 HE2 LYS A 420 -9.398 -8.170 -3.594 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -8.395 -9.607 -3.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 -10.401 -9.943 -4.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -10.401 -10.973 -3.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 -11.372 -9.580 -3.535 1.00 0.00 H new ATOM 367 N VAL A 421 -11.386 -10.593 1.609 1.00 0.00 N ATOM 368 CA VAL A 421 -10.687 -11.766 2.121 1.00 0.00 C ATOM 369 C VAL A 421 -10.384 -12.757 1.000 1.00 0.00 C ATOM 370 O VAL A 421 -11.120 -12.844 0.018 1.00 0.00 O ATOM 371 CB VAL A 421 -11.508 -12.474 3.217 1.00 0.00 C ATOM 372 CG1 VAL A 421 -12.837 -12.965 2.661 1.00 0.00 C ATOM 373 CG2 VAL A 421 -10.717 -13.625 3.821 1.00 0.00 C ATOM 0 H VAL A 421 -12.389 -10.724 1.475 1.00 0.00 H new ATOM 0 HA VAL A 421 -9.749 -11.416 2.553 1.00 0.00 H new ATOM 0 HB VAL A 421 -11.717 -11.753 4.007 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -13.401 -13.462 3.451 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -13.409 -12.117 2.285 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -12.654 -13.668 1.849 1.00 0.00 H new ATOM 0 HG21 VAL A 421 -11.314 -14.112 4.592 1.00 0.00 H new ATOM 0 HG22 VAL A 421 -10.473 -14.347 3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 421 -9.797 -13.242 4.262 1.00 0.00 H new ATOM 383 N VAL A 422 -9.295 -13.503 1.156 1.00 0.00 N ATOM 384 CA VAL A 422 -8.894 -14.487 0.160 1.00 0.00 C ATOM 385 C VAL A 422 -9.141 -15.906 0.659 1.00 0.00 C ATOM 386 O VAL A 422 -9.051 -16.178 1.857 1.00 0.00 O ATOM 387 CB VAL A 422 -7.406 -14.339 -0.213 1.00 0.00 C ATOM 388 CG1 VAL A 422 -7.058 -15.235 -1.390 1.00 0.00 C ATOM 389 CG2 VAL A 422 -7.076 -12.886 -0.524 1.00 0.00 C ATOM 0 H VAL A 422 -8.675 -13.444 1.964 1.00 0.00 H new ATOM 0 HA VAL A 422 -9.502 -14.304 -0.726 1.00 0.00 H new ATOM 0 HB VAL A 422 -6.804 -14.651 0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 422 -6.003 -15.116 -1.638 1.00 0.00 H new ATOM 0 HG12 VAL A 422 -7.254 -16.274 -1.127 1.00 0.00 H new ATOM 0 HG13 VAL A 422 -7.667 -14.958 -2.251 1.00 0.00 H new ATOM 0 HG21 VAL A 422 -6.021 -12.800 -0.785 1.00 0.00 H new ATOM 0 HG22 VAL A 422 -7.686 -12.545 -1.361 1.00 0.00 H new ATOM 0 HG23 VAL A 422 -7.284 -12.270 0.351 1.00 0.00 H new ATOM 399 N LYS A 423 -9.454 -16.808 -0.265 1.00 0.00 N ATOM 400 CA LYS A 423 -9.715 -18.199 0.082 1.00 0.00 C ATOM 401 C LYS A 423 -8.410 -18.973 0.250 1.00 0.00 C ATOM 402 O LYS A 423 -7.701 -19.233 -0.722 1.00 0.00 O ATOM 403 CB LYS A 423 -10.581 -18.861 -0.993 1.00 0.00 C ATOM 404 CG LYS A 423 -11.678 -19.748 -0.429 1.00 0.00 C ATOM 405 CD LYS A 423 -12.783 -18.924 0.212 1.00 0.00 C ATOM 406 CE LYS A 423 -14.072 -19.720 0.332 1.00 0.00 C ATOM 407 NZ LYS A 423 -15.185 -18.895 0.879 1.00 0.00 N ATOM 0 H LYS A 423 -9.533 -16.600 -1.260 1.00 0.00 H new ATOM 0 HA LYS A 423 -10.250 -18.216 1.031 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -11.034 -18.086 -1.611 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -9.943 -19.457 -1.646 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -12.096 -20.363 -1.226 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -11.254 -20.428 0.310 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -12.465 -18.593 1.201 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -12.961 -18.028 -0.382 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -14.353 -20.105 -0.648 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -13.908 -20.582 0.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -16.046 -19.474 0.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -14.927 -18.548 1.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -15.359 -18.086 0.249 1.00 0.00 H new ATOM 421 N GLY A 424 -8.100 -19.337 1.491 1.00 0.00 N ATOM 422 CA GLY A 424 -6.881 -20.076 1.763 1.00 0.00 C ATOM 423 C GLY A 424 -5.853 -19.247 2.507 1.00 0.00 C ATOM 424 O GLY A 424 -5.307 -19.686 3.521 1.00 0.00 O ATOM 0 H GLY A 424 -8.671 -19.134 2.312 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -7.121 -20.963 2.349 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -6.452 -20.422 0.822 1.00 0.00 H new ATOM 428 N ASN A 425 -5.588 -18.046 2.006 1.00 0.00 N ATOM 429 CA ASN A 425 -4.618 -17.154 2.630 1.00 0.00 C ATOM 430 C ASN A 425 -5.119 -16.672 3.991 1.00 0.00 C ATOM 431 O ASN A 425 -6.196 -16.083 4.089 1.00 0.00 O ATOM 432 CB ASN A 425 -4.341 -15.953 1.724 1.00 0.00 C ATOM 433 CG ASN A 425 -3.907 -16.368 0.332 1.00 0.00 C ATOM 434 OD1 ASN A 425 -4.500 -15.955 -0.666 1.00 0.00 O ATOM 435 ND2 ASN A 425 -2.867 -17.190 0.255 1.00 0.00 N ATOM 0 H ASN A 425 -6.031 -17.667 1.169 1.00 0.00 H new ATOM 0 HA ASN A 425 -3.693 -17.711 2.778 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -5.239 -15.339 1.654 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -3.566 -15.333 2.174 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -2.531 -17.503 -0.656 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -2.404 -17.508 1.107 1.00 0.00 H new ATOM 442 N PRO A 426 -4.346 -16.915 5.066 1.00 0.00 N ATOM 443 CA PRO A 426 -4.726 -16.499 6.420 1.00 0.00 C ATOM 444 C PRO A 426 -4.639 -14.987 6.612 1.00 0.00 C ATOM 445 O PRO A 426 -5.245 -14.434 7.529 1.00 0.00 O ATOM 446 CB PRO A 426 -3.703 -17.208 7.310 1.00 0.00 C ATOM 447 CG PRO A 426 -2.511 -17.396 6.438 1.00 0.00 C ATOM 448 CD PRO A 426 -3.044 -17.612 5.049 1.00 0.00 C ATOM 0 HA PRO A 426 -5.761 -16.755 6.647 1.00 0.00 H new ATOM 0 HB2 PRO A 426 -3.461 -16.610 8.189 1.00 0.00 H new ATOM 0 HB3 PRO A 426 -4.085 -18.163 7.670 1.00 0.00 H new ATOM 0 HG2 PRO A 426 -1.859 -16.523 6.474 1.00 0.00 H new ATOM 0 HG3 PRO A 426 -1.918 -18.250 6.766 1.00 0.00 H new ATOM 0 HD2 PRO A 426 -2.376 -17.197 4.294 1.00 0.00 H new ATOM 0 HD3 PRO A 426 -3.159 -18.672 4.824 1.00 0.00 H new ATOM 456 N TYR A 427 -3.882 -14.324 5.742 1.00 0.00 N ATOM 457 CA TYR A 427 -3.717 -12.877 5.820 1.00 0.00 C ATOM 458 C TYR A 427 -4.680 -12.166 4.870 1.00 0.00 C ATOM 459 O TYR A 427 -4.434 -12.096 3.665 1.00 0.00 O ATOM 460 CB TYR A 427 -2.276 -12.491 5.481 1.00 0.00 C ATOM 461 CG TYR A 427 -1.291 -12.788 6.589 1.00 0.00 C ATOM 462 CD1 TYR A 427 -1.563 -12.426 7.902 1.00 0.00 C ATOM 463 CD2 TYR A 427 -0.090 -13.431 6.322 1.00 0.00 C ATOM 464 CE1 TYR A 427 -0.666 -12.695 8.918 1.00 0.00 C ATOM 465 CE2 TYR A 427 0.813 -13.706 7.331 1.00 0.00 C ATOM 466 CZ TYR A 427 0.520 -13.335 8.627 1.00 0.00 C ATOM 467 OH TYR A 427 1.416 -13.607 9.636 1.00 0.00 O ATOM 0 H TYR A 427 -3.374 -14.766 4.976 1.00 0.00 H new ATOM 0 HA TYR A 427 -3.943 -12.565 6.840 1.00 0.00 H new ATOM 0 HB2 TYR A 427 -1.969 -13.024 4.581 1.00 0.00 H new ATOM 0 HB3 TYR A 427 -2.239 -11.426 5.250 1.00 0.00 H new ATOM 0 HD1 TYR A 427 -2.492 -11.926 8.133 1.00 0.00 H new ATOM 0 HD2 TYR A 427 0.143 -13.721 5.308 1.00 0.00 H new ATOM 0 HE1 TYR A 427 -0.892 -12.406 9.934 1.00 0.00 H new ATOM 0 HE2 TYR A 427 1.742 -14.208 7.106 1.00 0.00 H new ATOM 0 HH TYR A 427 2.200 -14.062 9.264 1.00 0.00 H new ATOM 477 N PRO A 428 -5.795 -11.628 5.397 1.00 0.00 N ATOM 478 CA PRO A 428 -6.790 -10.923 4.581 1.00 0.00 C ATOM 479 C PRO A 428 -6.257 -9.602 4.036 1.00 0.00 C ATOM 480 O PRO A 428 -5.326 -9.020 4.593 1.00 0.00 O ATOM 481 CB PRO A 428 -7.943 -10.673 5.556 1.00 0.00 C ATOM 482 CG PRO A 428 -7.308 -10.676 6.903 1.00 0.00 C ATOM 483 CD PRO A 428 -6.175 -11.662 6.822 1.00 0.00 C ATOM 0 HA PRO A 428 -7.078 -11.500 3.702 1.00 0.00 H new ATOM 0 HB2 PRO A 428 -8.434 -9.722 5.352 1.00 0.00 H new ATOM 0 HB3 PRO A 428 -8.705 -11.449 5.476 1.00 0.00 H new ATOM 0 HG2 PRO A 428 -6.944 -9.683 7.165 1.00 0.00 H new ATOM 0 HG3 PRO A 428 -8.024 -10.966 7.672 1.00 0.00 H new ATOM 0 HD2 PRO A 428 -5.345 -11.374 7.467 1.00 0.00 H new ATOM 0 HD3 PRO A 428 -6.487 -12.660 7.131 1.00 0.00 H new ATOM 491 N ARG A 429 -6.852 -9.136 2.943 1.00 0.00 N ATOM 492 CA ARG A 429 -6.437 -7.883 2.323 1.00 0.00 C ATOM 493 C ARG A 429 -7.136 -6.694 2.974 1.00 0.00 C ATOM 494 O ARG A 429 -8.266 -6.808 3.447 1.00 0.00 O ATOM 495 CB ARG A 429 -6.738 -7.908 0.822 1.00 0.00 C ATOM 496 CG ARG A 429 -5.612 -8.489 -0.016 1.00 0.00 C ATOM 497 CD ARG A 429 -5.508 -7.801 -1.368 1.00 0.00 C ATOM 498 NE ARG A 429 -5.853 -8.701 -2.468 1.00 0.00 N ATOM 499 CZ ARG A 429 -5.517 -8.483 -3.737 1.00 0.00 C ATOM 500 NH1 ARG A 429 -4.828 -7.400 -4.071 1.00 0.00 N ATOM 501 NH2 ARG A 429 -5.869 -9.353 -4.674 1.00 0.00 N ATOM 0 H ARG A 429 -7.623 -9.607 2.469 1.00 0.00 H new ATOM 0 HA ARG A 429 -5.363 -7.773 2.470 1.00 0.00 H new ATOM 0 HB2 ARG A 429 -7.644 -8.490 0.652 1.00 0.00 H new ATOM 0 HB3 ARG A 429 -6.944 -6.892 0.484 1.00 0.00 H new ATOM 0 HG2 ARG A 429 -4.668 -8.385 0.519 1.00 0.00 H new ATOM 0 HG3 ARG A 429 -5.780 -9.556 -0.162 1.00 0.00 H new ATOM 0 HD2 ARG A 429 -6.170 -6.935 -1.386 1.00 0.00 H new ATOM 0 HD3 ARG A 429 -4.493 -7.429 -1.508 1.00 0.00 H new ATOM 0 HE ARG A 429 -6.382 -9.545 -2.250 1.00 0.00 H new ATOM 0 HH11 ARG A 429 -4.553 -6.729 -3.354 1.00 0.00 H new ATOM 0 HH12 ARG A 429 -4.573 -7.238 -5.045 1.00 0.00 H new ATOM 0 HH21 ARG A 429 -6.397 -10.189 -4.422 1.00 0.00 H new ATOM 0 HH22 ARG A 429 -5.612 -9.187 -5.647 1.00 0.00 H new ATOM 515 N SER A 430 -6.456 -5.553 2.993 1.00 0.00 N ATOM 516 CA SER A 430 -7.011 -4.342 3.586 1.00 0.00 C ATOM 517 C SER A 430 -6.790 -3.141 2.672 1.00 0.00 C ATOM 518 O SER A 430 -5.805 -3.080 1.935 1.00 0.00 O ATOM 519 CB SER A 430 -6.377 -4.080 4.953 1.00 0.00 C ATOM 520 OG SER A 430 -6.623 -5.155 5.843 1.00 0.00 O ATOM 0 H SER A 430 -5.520 -5.441 2.605 1.00 0.00 H new ATOM 0 HA SER A 430 -8.084 -4.488 3.714 1.00 0.00 H new ATOM 0 HB2 SER A 430 -5.303 -3.938 4.838 1.00 0.00 H new ATOM 0 HB3 SER A 430 -6.778 -3.157 5.373 1.00 0.00 H new ATOM 0 HG SER A 430 -6.206 -4.964 6.709 1.00 0.00 H new ATOM 526 N TYR A 431 -7.713 -2.186 2.723 1.00 0.00 N ATOM 527 CA TYR A 431 -7.620 -0.987 1.900 1.00 0.00 C ATOM 528 C TYR A 431 -7.743 0.272 2.753 1.00 0.00 C ATOM 529 O TYR A 431 -8.642 0.384 3.586 1.00 0.00 O ATOM 530 CB TYR A 431 -8.707 -0.995 0.824 1.00 0.00 C ATOM 531 CG TYR A 431 -8.654 -2.204 -0.083 1.00 0.00 C ATOM 532 CD1 TYR A 431 -7.531 -2.467 -0.857 1.00 0.00 C ATOM 533 CD2 TYR A 431 -9.725 -3.085 -0.162 1.00 0.00 C ATOM 534 CE1 TYR A 431 -7.479 -3.572 -1.687 1.00 0.00 C ATOM 535 CE2 TYR A 431 -9.681 -4.191 -0.988 1.00 0.00 C ATOM 536 CZ TYR A 431 -8.555 -4.430 -1.748 1.00 0.00 C ATOM 537 OH TYR A 431 -8.506 -5.532 -2.572 1.00 0.00 O ATOM 0 H TYR A 431 -8.535 -2.220 3.327 1.00 0.00 H new ATOM 0 HA TYR A 431 -6.642 -0.984 1.419 1.00 0.00 H new ATOM 0 HB2 TYR A 431 -9.684 -0.956 1.306 1.00 0.00 H new ATOM 0 HB3 TYR A 431 -8.614 -0.093 0.219 1.00 0.00 H new ATOM 0 HD1 TYR A 431 -6.685 -1.798 -0.810 1.00 0.00 H new ATOM 0 HD2 TYR A 431 -10.608 -2.902 0.433 1.00 0.00 H new ATOM 0 HE1 TYR A 431 -6.599 -3.761 -2.284 1.00 0.00 H new ATOM 0 HE2 TYR A 431 -10.523 -4.865 -1.039 1.00 0.00 H new ATOM 0 HH TYR A 431 -7.578 -5.835 -2.658 1.00 0.00 H new ATOM 547 N TYR A 432 -6.833 1.217 2.537 1.00 0.00 N ATOM 548 CA TYR A 432 -6.838 2.469 3.285 1.00 0.00 C ATOM 549 C TYR A 432 -6.605 3.655 2.355 1.00 0.00 C ATOM 550 O TYR A 432 -6.233 3.482 1.194 1.00 0.00 O ATOM 551 CB TYR A 432 -5.766 2.441 4.375 1.00 0.00 C ATOM 552 CG TYR A 432 -5.734 1.149 5.160 1.00 0.00 C ATOM 553 CD1 TYR A 432 -5.164 0.001 4.623 1.00 0.00 C ATOM 554 CD2 TYR A 432 -6.273 1.078 6.440 1.00 0.00 C ATOM 555 CE1 TYR A 432 -5.133 -1.181 5.337 1.00 0.00 C ATOM 556 CE2 TYR A 432 -6.246 -0.101 7.159 1.00 0.00 C ATOM 557 CZ TYR A 432 -5.675 -1.228 6.605 1.00 0.00 C ATOM 558 OH TYR A 432 -5.646 -2.403 7.319 1.00 0.00 O ATOM 0 H TYR A 432 -6.083 1.139 1.850 1.00 0.00 H new ATOM 0 HA TYR A 432 -7.816 2.582 3.753 1.00 0.00 H new ATOM 0 HB2 TYR A 432 -4.790 2.602 3.917 1.00 0.00 H new ATOM 0 HB3 TYR A 432 -5.937 3.270 5.062 1.00 0.00 H new ATOM 0 HD1 TYR A 432 -4.738 0.034 3.631 1.00 0.00 H new ATOM 0 HD2 TYR A 432 -6.720 1.958 6.879 1.00 0.00 H new ATOM 0 HE1 TYR A 432 -4.687 -2.064 4.905 1.00 0.00 H new ATOM 0 HE2 TYR A 432 -6.670 -0.140 8.151 1.00 0.00 H new ATOM 0 HH TYR A 432 -6.068 -2.265 8.193 1.00 0.00 H new ATOM 568 N LYS A 433 -6.825 4.860 2.870 1.00 0.00 N ATOM 569 CA LYS A 433 -6.638 6.071 2.080 1.00 0.00 C ATOM 570 C LYS A 433 -6.397 7.280 2.979 1.00 0.00 C ATOM 571 O LYS A 433 -7.131 7.508 3.941 1.00 0.00 O ATOM 572 CB LYS A 433 -7.858 6.320 1.192 1.00 0.00 C ATOM 573 CG LYS A 433 -9.135 6.584 1.971 1.00 0.00 C ATOM 574 CD LYS A 433 -10.362 6.502 1.076 1.00 0.00 C ATOM 575 CE LYS A 433 -11.645 6.701 1.867 1.00 0.00 C ATOM 576 NZ LYS A 433 -12.840 6.755 0.982 1.00 0.00 N ATOM 0 H LYS A 433 -7.132 5.024 3.829 1.00 0.00 H new ATOM 0 HA LYS A 433 -5.760 5.929 1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -7.656 7.172 0.543 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -8.009 5.455 0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -9.225 5.859 2.780 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -9.084 7.571 2.431 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -10.294 7.259 0.295 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -10.387 5.532 0.579 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -11.760 5.887 2.583 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -11.577 7.624 2.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -13.694 6.892 1.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -12.743 7.547 0.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -12.920 5.864 0.452 1.00 0.00 H new ATOM 590 N CYS A 434 -5.367 8.054 2.656 1.00 0.00 N ATOM 591 CA CYS A 434 -5.028 9.242 3.430 1.00 0.00 C ATOM 592 C CYS A 434 -6.112 10.307 3.286 1.00 0.00 C ATOM 593 O CYS A 434 -6.145 11.042 2.299 1.00 0.00 O ATOM 594 CB CYS A 434 -3.679 9.803 2.976 1.00 0.00 C ATOM 595 SG CYS A 434 -2.955 11.005 4.115 1.00 0.00 S ATOM 0 H CYS A 434 -4.751 7.879 1.862 1.00 0.00 H new ATOM 0 HA CYS A 434 -4.959 8.958 4.480 1.00 0.00 H new ATOM 0 HB2 CYS A 434 -2.980 8.977 2.845 1.00 0.00 H new ATOM 0 HB3 CYS A 434 -3.803 10.273 2.000 1.00 0.00 H new ATOM 0 HG CYS A 434 -3.678 12.085 4.123 1.00 0.00 H new ATOM 600 N THR A 435 -6.998 10.381 4.274 1.00 0.00 N ATOM 601 CA THR A 435 -8.085 11.353 4.254 1.00 0.00 C ATOM 602 C THR A 435 -7.757 12.568 5.117 1.00 0.00 C ATOM 603 O THR A 435 -8.328 12.753 6.192 1.00 0.00 O ATOM 604 CB THR A 435 -9.406 10.729 4.744 1.00 0.00 C ATOM 605 OG1 THR A 435 -10.391 11.752 4.938 1.00 0.00 O ATOM 606 CG2 THR A 435 -9.195 9.969 6.046 1.00 0.00 C ATOM 0 H THR A 435 -6.985 9.780 5.098 1.00 0.00 H new ATOM 0 HA THR A 435 -8.204 11.671 3.218 1.00 0.00 H new ATOM 0 HB THR A 435 -9.755 10.029 3.984 1.00 0.00 H new ATOM 0 HG1 THR A 435 -10.135 12.313 5.700 1.00 0.00 H new ATOM 0 HG21 THR A 435 -10.141 9.537 6.373 1.00 0.00 H new ATOM 0 HG22 THR A 435 -8.468 9.173 5.889 1.00 0.00 H new ATOM 0 HG23 THR A 435 -8.825 10.652 6.810 1.00 0.00 H new ATOM 614 N THR A 436 -6.836 13.397 4.636 1.00 0.00 N ATOM 615 CA THR A 436 -6.435 14.597 5.359 1.00 0.00 C ATOM 616 C THR A 436 -7.126 15.835 4.788 1.00 0.00 C ATOM 617 O THR A 436 -7.637 15.805 3.670 1.00 0.00 O ATOM 618 CB THR A 436 -4.906 14.800 5.308 1.00 0.00 C ATOM 619 OG1 THR A 436 -4.285 13.684 4.662 1.00 0.00 O ATOM 620 CG2 THR A 436 -4.329 14.964 6.707 1.00 0.00 C ATOM 0 H THR A 436 -6.354 13.259 3.748 1.00 0.00 H new ATOM 0 HA THR A 436 -6.738 14.461 6.397 1.00 0.00 H new ATOM 0 HB THR A 436 -4.705 15.709 4.741 1.00 0.00 H new ATOM 0 HG1 THR A 436 -3.344 13.891 4.485 1.00 0.00 H new ATOM 0 HG21 THR A 436 -3.250 15.105 6.641 1.00 0.00 H new ATOM 0 HG22 THR A 436 -4.780 15.832 7.187 1.00 0.00 H new ATOM 0 HG23 THR A 436 -4.543 14.072 7.296 1.00 0.00 H new ATOM 628 N PRO A 437 -7.150 16.941 5.552 1.00 0.00 N ATOM 629 CA PRO A 437 -7.784 18.188 5.111 1.00 0.00 C ATOM 630 C PRO A 437 -7.233 18.674 3.776 1.00 0.00 C ATOM 631 O PRO A 437 -6.300 19.477 3.733 1.00 0.00 O ATOM 632 CB PRO A 437 -7.440 19.182 6.226 1.00 0.00 C ATOM 633 CG PRO A 437 -7.176 18.334 7.423 1.00 0.00 C ATOM 634 CD PRO A 437 -6.565 17.065 6.900 1.00 0.00 C ATOM 0 HA PRO A 437 -8.855 18.065 4.951 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -6.568 19.782 5.966 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -8.262 19.875 6.406 1.00 0.00 H new ATOM 0 HG2 PRO A 437 -6.501 18.836 8.116 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -8.098 18.129 7.968 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -5.477 17.127 6.863 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -6.814 16.209 7.528 1.00 0.00 H new ATOM 642 N GLY A 438 -7.814 18.182 2.687 1.00 0.00 N ATOM 643 CA GLY A 438 -7.367 18.576 1.365 1.00 0.00 C ATOM 644 C GLY A 438 -6.663 17.450 0.631 1.00 0.00 C ATOM 645 O GLY A 438 -6.660 17.409 -0.599 1.00 0.00 O ATOM 0 H GLY A 438 -8.587 17.517 2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -8.224 18.908 0.779 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -6.692 19.427 1.452 1.00 0.00 H new ATOM 649 N CYS A 439 -6.065 16.535 1.388 1.00 0.00 N ATOM 650 CA CYS A 439 -5.355 15.404 0.802 1.00 0.00 C ATOM 651 C CYS A 439 -6.293 14.221 0.589 1.00 0.00 C ATOM 652 O CYS A 439 -7.092 13.884 1.462 1.00 0.00 O ATOM 653 CB CYS A 439 -4.188 14.988 1.701 1.00 0.00 C ATOM 654 SG CYS A 439 -3.210 13.613 1.048 1.00 0.00 S ATOM 0 H CYS A 439 -6.058 16.555 2.408 1.00 0.00 H new ATOM 0 HA CYS A 439 -4.967 15.715 -0.168 1.00 0.00 H new ATOM 0 HB2 CYS A 439 -3.534 15.847 1.851 1.00 0.00 H new ATOM 0 HB3 CYS A 439 -4.578 14.710 2.680 1.00 0.00 H new ATOM 0 HG CYS A 439 -3.910 12.519 1.102 1.00 0.00 H new ATOM 659 N GLY A 440 -6.189 13.595 -0.579 1.00 0.00 N ATOM 660 CA GLY A 440 -7.032 12.456 -0.888 1.00 0.00 C ATOM 661 C GLY A 440 -6.260 11.323 -1.538 1.00 0.00 C ATOM 662 O GLY A 440 -6.569 10.916 -2.658 1.00 0.00 O ATOM 0 H GLY A 440 -5.535 13.857 -1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 440 -7.499 12.095 0.028 1.00 0.00 H new ATOM 0 HA3 GLY A 440 -7.836 12.772 -1.553 1.00 0.00 H new ATOM 666 N VAL A 441 -5.253 10.817 -0.835 1.00 0.00 N ATOM 667 CA VAL A 441 -4.433 9.728 -1.350 1.00 0.00 C ATOM 668 C VAL A 441 -5.018 8.372 -0.967 1.00 0.00 C ATOM 669 O VAL A 441 -5.702 8.243 0.047 1.00 0.00 O ATOM 670 CB VAL A 441 -2.985 9.816 -0.827 1.00 0.00 C ATOM 671 CG1 VAL A 441 -2.111 8.760 -1.486 1.00 0.00 C ATOM 672 CG2 VAL A 441 -2.417 11.207 -1.059 1.00 0.00 C ATOM 0 H VAL A 441 -4.985 11.144 0.093 1.00 0.00 H new ATOM 0 HA VAL A 441 -4.425 9.825 -2.436 1.00 0.00 H new ATOM 0 HB VAL A 441 -2.996 9.626 0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 441 -1.093 8.839 -1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 441 -2.507 7.769 -1.263 1.00 0.00 H new ATOM 0 HG13 VAL A 441 -2.106 8.914 -2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 441 -1.395 11.250 -0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 441 -2.421 11.428 -2.126 1.00 0.00 H new ATOM 0 HG23 VAL A 441 -3.027 11.942 -0.534 1.00 0.00 H new ATOM 682 N ARG A 442 -4.742 7.362 -1.787 1.00 0.00 N ATOM 683 CA ARG A 442 -5.241 6.014 -1.535 1.00 0.00 C ATOM 684 C ARG A 442 -4.110 4.992 -1.621 1.00 0.00 C ATOM 685 O ARG A 442 -3.169 5.158 -2.397 1.00 0.00 O ATOM 686 CB ARG A 442 -6.343 5.660 -2.534 1.00 0.00 C ATOM 687 CG ARG A 442 -7.515 6.628 -2.515 1.00 0.00 C ATOM 688 CD ARG A 442 -8.844 5.897 -2.401 1.00 0.00 C ATOM 689 NE ARG A 442 -9.911 6.583 -3.128 1.00 0.00 N ATOM 690 CZ ARG A 442 -11.207 6.373 -2.913 1.00 0.00 C ATOM 691 NH1 ARG A 442 -11.602 5.500 -1.995 1.00 0.00 N ATOM 692 NH2 ARG A 442 -12.112 7.039 -3.617 1.00 0.00 N ATOM 0 H ARG A 442 -4.176 7.451 -2.631 1.00 0.00 H new ATOM 0 HA ARG A 442 -5.655 5.988 -0.527 1.00 0.00 H new ATOM 0 HB2 ARG A 442 -5.918 5.636 -3.538 1.00 0.00 H new ATOM 0 HB3 ARG A 442 -6.708 4.656 -2.319 1.00 0.00 H new ATOM 0 HG2 ARG A 442 -7.405 7.317 -1.677 1.00 0.00 H new ATOM 0 HG3 ARG A 442 -7.506 7.228 -3.425 1.00 0.00 H new ATOM 0 HD2 ARG A 442 -8.735 4.884 -2.788 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -9.120 5.809 -1.350 1.00 0.00 H new ATOM 0 HE ARG A 442 -9.646 7.262 -3.842 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -10.911 4.986 -1.450 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -12.597 5.343 -1.835 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -11.814 7.712 -4.323 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -13.106 6.878 -3.452 1.00 0.00 H new ATOM 706 N LYS A 443 -4.213 3.936 -0.822 1.00 0.00 N ATOM 707 CA LYS A 443 -3.199 2.886 -0.809 1.00 0.00 C ATOM 708 C LYS A 443 -3.836 1.518 -0.589 1.00 0.00 C ATOM 709 O LYS A 443 -4.967 1.417 -0.117 1.00 0.00 O ATOM 710 CB LYS A 443 -2.164 3.162 0.283 1.00 0.00 C ATOM 711 CG LYS A 443 -2.740 3.130 1.690 1.00 0.00 C ATOM 712 CD LYS A 443 -1.649 3.249 2.741 1.00 0.00 C ATOM 713 CE LYS A 443 -1.927 2.351 3.938 1.00 0.00 C ATOM 714 NZ LYS A 443 -2.146 3.139 5.183 1.00 0.00 N ATOM 0 H LYS A 443 -4.987 3.784 -0.175 1.00 0.00 H new ATOM 0 HA LYS A 443 -2.701 2.883 -1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 443 -1.365 2.424 0.210 1.00 0.00 H new ATOM 0 HB3 LYS A 443 -1.713 4.138 0.106 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -3.454 3.945 1.811 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -3.290 2.201 1.838 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -0.688 2.983 2.301 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -1.573 4.285 3.072 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -2.806 1.739 3.736 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -1.089 1.669 4.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -2.711 2.579 5.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 -1.228 3.371 5.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -2.652 4.018 4.953 1.00 0.00 H new ATOM 728 N HIS A 444 -3.099 0.466 -0.935 1.00 0.00 N ATOM 729 CA HIS A 444 -3.592 -0.897 -0.775 1.00 0.00 C ATOM 730 C HIS A 444 -2.552 -1.772 -0.083 1.00 0.00 C ATOM 731 O HIS A 444 -1.441 -1.948 -0.582 1.00 0.00 O ATOM 732 CB HIS A 444 -3.952 -1.496 -2.136 1.00 0.00 C ATOM 733 CG HIS A 444 -4.825 -0.607 -2.968 1.00 0.00 C ATOM 734 ND1 HIS A 444 -4.560 -0.314 -4.289 1.00 0.00 N ATOM 735 CD2 HIS A 444 -5.966 0.054 -2.659 1.00 0.00 C ATOM 736 CE1 HIS A 444 -5.499 0.490 -4.756 1.00 0.00 C ATOM 737 NE2 HIS A 444 -6.363 0.727 -3.787 1.00 0.00 N ATOM 0 H HIS A 444 -2.160 0.532 -1.327 1.00 0.00 H new ATOM 0 HA HIS A 444 -4.486 -0.862 -0.153 1.00 0.00 H new ATOM 0 HB2 HIS A 444 -3.035 -1.708 -2.685 1.00 0.00 H new ATOM 0 HB3 HIS A 444 -4.459 -2.449 -1.982 1.00 0.00 H new ATOM 0 HD2 HIS A 444 -6.469 0.052 -1.703 1.00 0.00 H new ATOM 0 HE1 HIS A 444 -5.551 0.886 -5.760 1.00 0.00 H new ATOM 0 HE2 HIS A 444 -7.192 1.316 -3.864 1.00 0.00 H new ATOM 746 N VAL A 445 -2.921 -2.318 1.072 1.00 0.00 N ATOM 747 CA VAL A 445 -2.019 -3.175 1.834 1.00 0.00 C ATOM 748 C VAL A 445 -2.277 -4.647 1.535 1.00 0.00 C ATOM 749 O VAL A 445 -3.403 -5.129 1.658 1.00 0.00 O ATOM 750 CB VAL A 445 -2.165 -2.938 3.349 1.00 0.00 C ATOM 751 CG1 VAL A 445 -1.086 -3.688 4.114 1.00 0.00 C ATOM 752 CG2 VAL A 445 -2.115 -1.450 3.664 1.00 0.00 C ATOM 0 H VAL A 445 -3.837 -2.182 1.500 1.00 0.00 H new ATOM 0 HA VAL A 445 -1.005 -2.917 1.529 1.00 0.00 H new ATOM 0 HB VAL A 445 -3.135 -3.321 3.666 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -1.206 -3.508 5.182 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -1.174 -4.756 3.914 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -0.104 -3.338 3.795 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -2.220 -1.302 4.739 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -1.161 -1.040 3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -2.928 -0.941 3.147 1.00 0.00 H new ATOM 762 N GLU A 446 -1.225 -5.358 1.141 1.00 0.00 N ATOM 763 CA GLU A 446 -1.338 -6.777 0.824 1.00 0.00 C ATOM 764 C GLU A 446 -0.164 -7.560 1.405 1.00 0.00 C ATOM 765 O GLU A 446 0.992 -7.310 1.065 1.00 0.00 O ATOM 766 CB GLU A 446 -1.400 -6.980 -0.691 1.00 0.00 C ATOM 767 CG GLU A 446 -1.554 -8.434 -1.104 1.00 0.00 C ATOM 768 CD GLU A 446 -1.177 -8.672 -2.554 1.00 0.00 C ATOM 769 OE1 GLU A 446 -2.066 -8.564 -3.423 1.00 0.00 O ATOM 770 OE2 GLU A 446 0.008 -8.964 -2.819 1.00 0.00 O ATOM 0 H GLU A 446 -0.286 -4.975 1.034 1.00 0.00 H new ATOM 0 HA GLU A 446 -2.259 -7.151 1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 446 -2.236 -6.407 -1.092 1.00 0.00 H new ATOM 0 HB3 GLU A 446 -0.492 -6.577 -1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 446 -0.931 -9.058 -0.463 1.00 0.00 H new ATOM 0 HG3 GLU A 446 -2.586 -8.746 -0.945 1.00 0.00 H new ATOM 777 N ARG A 447 -0.470 -8.508 2.286 1.00 0.00 N ATOM 778 CA ARG A 447 0.561 -9.326 2.915 1.00 0.00 C ATOM 779 C ARG A 447 0.585 -10.728 2.310 1.00 0.00 C ATOM 780 O ARG A 447 -0.277 -11.557 2.603 1.00 0.00 O ATOM 781 CB ARG A 447 0.323 -9.409 4.425 1.00 0.00 C ATOM 782 CG ARG A 447 1.497 -8.911 5.253 1.00 0.00 C ATOM 783 CD ARG A 447 1.770 -9.820 6.441 1.00 0.00 C ATOM 784 NE ARG A 447 2.851 -9.312 7.281 1.00 0.00 N ATOM 785 CZ ARG A 447 3.526 -10.059 8.153 1.00 0.00 C ATOM 786 NH1 ARG A 447 3.236 -11.346 8.301 1.00 0.00 N ATOM 787 NH2 ARG A 447 4.496 -9.518 8.877 1.00 0.00 N ATOM 0 H ARG A 447 -1.422 -8.728 2.580 1.00 0.00 H new ATOM 0 HA ARG A 447 1.528 -8.856 2.733 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -0.563 -8.826 4.678 1.00 0.00 H new ATOM 0 HB3 ARG A 447 0.111 -10.444 4.695 1.00 0.00 H new ATOM 0 HG2 ARG A 447 2.387 -8.854 4.626 1.00 0.00 H new ATOM 0 HG3 ARG A 447 1.291 -7.901 5.607 1.00 0.00 H new ATOM 0 HD2 ARG A 447 0.863 -9.919 7.038 1.00 0.00 H new ATOM 0 HD3 ARG A 447 2.027 -10.817 6.083 1.00 0.00 H new ATOM 0 HE ARG A 447 3.104 -8.328 7.195 1.00 0.00 H new ATOM 0 HH11 ARG A 447 2.492 -11.768 7.745 1.00 0.00 H new ATOM 0 HH12 ARG A 447 3.757 -11.912 8.971 1.00 0.00 H new ATOM 0 HH21 ARG A 447 4.725 -8.530 8.766 1.00 0.00 H new ATOM 0 HH22 ARG A 447 5.013 -10.090 9.545 1.00 0.00 H new ATOM 801 N ALA A 448 1.578 -10.984 1.463 1.00 0.00 N ATOM 802 CA ALA A 448 1.715 -12.283 0.816 1.00 0.00 C ATOM 803 C ALA A 448 1.954 -13.386 1.842 1.00 0.00 C ATOM 804 O ALA A 448 2.932 -13.353 2.589 1.00 0.00 O ATOM 805 CB ALA A 448 2.847 -12.250 -0.201 1.00 0.00 C ATOM 0 H ALA A 448 2.299 -10.308 1.209 1.00 0.00 H new ATOM 0 HA ALA A 448 0.782 -12.502 0.297 1.00 0.00 H new ATOM 0 HB1 ALA A 448 2.938 -13.227 -0.676 1.00 0.00 H new ATOM 0 HB2 ALA A 448 2.633 -11.496 -0.959 1.00 0.00 H new ATOM 0 HB3 ALA A 448 3.782 -12.003 0.303 1.00 0.00 H new ATOM 811 N ALA A 449 1.051 -14.362 1.872 1.00 0.00 N ATOM 812 CA ALA A 449 1.162 -15.477 2.804 1.00 0.00 C ATOM 813 C ALA A 449 2.030 -16.595 2.234 1.00 0.00 C ATOM 814 O ALA A 449 2.549 -17.429 2.976 1.00 0.00 O ATOM 815 CB ALA A 449 -0.220 -16.009 3.154 1.00 0.00 C ATOM 0 H ALA A 449 0.235 -14.402 1.261 1.00 0.00 H new ATOM 0 HA ALA A 449 1.643 -15.110 3.711 1.00 0.00 H new ATOM 0 HB1 ALA A 449 -0.124 -16.842 3.851 1.00 0.00 H new ATOM 0 HB2 ALA A 449 -0.809 -15.216 3.615 1.00 0.00 H new ATOM 0 HB3 ALA A 449 -0.719 -16.351 2.247 1.00 0.00 H new ATOM 821 N THR A 450 2.187 -16.608 0.912 1.00 0.00 N ATOM 822 CA THR A 450 2.995 -17.625 0.245 1.00 0.00 C ATOM 823 C THR A 450 4.383 -17.730 0.875 1.00 0.00 C ATOM 824 O THR A 450 4.879 -18.827 1.127 1.00 0.00 O ATOM 825 CB THR A 450 3.148 -17.327 -1.257 1.00 0.00 C ATOM 826 OG1 THR A 450 3.979 -16.175 -1.447 1.00 0.00 O ATOM 827 CG2 THR A 450 1.791 -17.090 -1.904 1.00 0.00 C ATOM 0 H THR A 450 1.765 -15.926 0.282 1.00 0.00 H new ATOM 0 HA THR A 450 2.471 -18.573 0.368 1.00 0.00 H new ATOM 0 HB THR A 450 3.613 -18.192 -1.730 1.00 0.00 H new ATOM 0 HG1 THR A 450 4.072 -15.994 -2.406 1.00 0.00 H new ATOM 0 HG21 THR A 450 1.925 -16.881 -2.965 1.00 0.00 H new ATOM 0 HG22 THR A 450 1.171 -17.978 -1.784 1.00 0.00 H new ATOM 0 HG23 THR A 450 1.304 -16.240 -1.426 1.00 0.00 H new ATOM 835 N ASP A 451 5.000 -16.580 1.126 1.00 0.00 N ATOM 836 CA ASP A 451 6.327 -16.542 1.726 1.00 0.00 C ATOM 837 C ASP A 451 6.231 -16.489 3.249 1.00 0.00 C ATOM 838 O ASP A 451 5.174 -16.184 3.802 1.00 0.00 O ATOM 839 CB ASP A 451 7.110 -15.332 1.206 1.00 0.00 C ATOM 840 CG ASP A 451 8.434 -15.726 0.580 1.00 0.00 C ATOM 841 OD1 ASP A 451 8.537 -16.864 0.077 1.00 0.00 O ATOM 842 OD2 ASP A 451 9.367 -14.896 0.597 1.00 0.00 O ATOM 0 H ASP A 451 4.602 -15.663 0.923 1.00 0.00 H new ATOM 0 HA ASP A 451 6.855 -17.453 1.445 1.00 0.00 H new ATOM 0 HB2 ASP A 451 6.507 -14.801 0.470 1.00 0.00 H new ATOM 0 HB3 ASP A 451 7.292 -14.640 2.028 1.00 0.00 H new ATOM 847 N PRO A 452 7.337 -16.788 3.951 1.00 0.00 N ATOM 848 CA PRO A 452 7.370 -16.774 5.417 1.00 0.00 C ATOM 849 C PRO A 452 6.814 -15.476 5.997 1.00 0.00 C ATOM 850 O PRO A 452 6.286 -15.459 7.108 1.00 0.00 O ATOM 851 CB PRO A 452 8.860 -16.910 5.740 1.00 0.00 C ATOM 852 CG PRO A 452 9.436 -17.621 4.565 1.00 0.00 C ATOM 853 CD PRO A 452 8.642 -17.163 3.372 1.00 0.00 C ATOM 0 HA PRO A 452 6.754 -17.564 5.846 1.00 0.00 H new ATOM 0 HB2 PRO A 452 9.326 -15.935 5.880 1.00 0.00 H new ATOM 0 HB3 PRO A 452 9.016 -17.473 6.660 1.00 0.00 H new ATOM 0 HG2 PRO A 452 10.493 -17.383 4.445 1.00 0.00 H new ATOM 0 HG3 PRO A 452 9.365 -18.702 4.690 1.00 0.00 H new ATOM 0 HD2 PRO A 452 9.118 -16.318 2.873 1.00 0.00 H new ATOM 0 HD3 PRO A 452 8.539 -17.955 2.630 1.00 0.00 H new ATOM 861 N LYS A 453 6.939 -14.392 5.237 1.00 0.00 N ATOM 862 CA LYS A 453 6.449 -13.090 5.674 1.00 0.00 C ATOM 863 C LYS A 453 6.714 -12.026 4.614 1.00 0.00 C ATOM 864 O LYS A 453 7.664 -11.250 4.725 1.00 0.00 O ATOM 865 CB LYS A 453 7.109 -12.689 6.996 1.00 0.00 C ATOM 866 CG LYS A 453 6.223 -12.919 8.211 1.00 0.00 C ATOM 867 CD LYS A 453 6.995 -13.562 9.354 1.00 0.00 C ATOM 868 CE LYS A 453 6.164 -14.620 10.063 1.00 0.00 C ATOM 869 NZ LYS A 453 6.032 -14.337 11.520 1.00 0.00 N ATOM 0 H LYS A 453 7.376 -14.390 4.315 1.00 0.00 H new ATOM 0 HA LYS A 453 5.372 -13.166 5.824 1.00 0.00 H new ATOM 0 HB2 LYS A 453 8.033 -13.254 7.118 1.00 0.00 H new ATOM 0 HB3 LYS A 453 7.384 -11.635 6.951 1.00 0.00 H new ATOM 0 HG2 LYS A 453 5.806 -11.968 8.543 1.00 0.00 H new ATOM 0 HG3 LYS A 453 5.383 -13.557 7.934 1.00 0.00 H new ATOM 0 HD2 LYS A 453 7.909 -14.014 8.968 1.00 0.00 H new ATOM 0 HD3 LYS A 453 7.296 -12.795 10.068 1.00 0.00 H new ATOM 0 HE2 LYS A 453 5.173 -14.667 9.611 1.00 0.00 H new ATOM 0 HE3 LYS A 453 6.625 -15.598 9.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 5.459 -15.081 11.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 6.976 -14.317 11.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 5.569 -13.415 11.654 1.00 0.00 H new ATOM 883 N ALA A 454 5.870 -11.994 3.588 1.00 0.00 N ATOM 884 CA ALA A 454 6.015 -11.024 2.510 1.00 0.00 C ATOM 885 C ALA A 454 4.998 -9.896 2.647 1.00 0.00 C ATOM 886 O ALA A 454 3.813 -10.139 2.869 1.00 0.00 O ATOM 887 CB ALA A 454 5.870 -11.713 1.159 1.00 0.00 C ATOM 0 H ALA A 454 5.079 -12.629 3.481 1.00 0.00 H new ATOM 0 HA ALA A 454 7.011 -10.587 2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 454 5.980 -10.978 0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 454 6.640 -12.478 1.056 1.00 0.00 H new ATOM 0 HB3 ALA A 454 4.886 -12.177 1.091 1.00 0.00 H new ATOM 893 N VAL A 455 5.471 -8.662 2.512 1.00 0.00 N ATOM 894 CA VAL A 455 4.605 -7.495 2.621 1.00 0.00 C ATOM 895 C VAL A 455 4.786 -6.565 1.427 1.00 0.00 C ATOM 896 O VAL A 455 5.910 -6.227 1.055 1.00 0.00 O ATOM 897 CB VAL A 455 4.882 -6.708 3.916 1.00 0.00 C ATOM 898 CG1 VAL A 455 3.853 -5.601 4.099 1.00 0.00 C ATOM 899 CG2 VAL A 455 4.890 -7.641 5.117 1.00 0.00 C ATOM 0 H VAL A 455 6.450 -8.444 2.327 1.00 0.00 H new ATOM 0 HA VAL A 455 3.579 -7.863 2.641 1.00 0.00 H new ATOM 0 HB VAL A 455 5.867 -6.248 3.836 1.00 0.00 H new ATOM 0 HG11 VAL A 455 4.065 -5.056 5.019 1.00 0.00 H new ATOM 0 HG12 VAL A 455 3.901 -4.916 3.252 1.00 0.00 H new ATOM 0 HG13 VAL A 455 2.856 -6.037 4.157 1.00 0.00 H new ATOM 0 HG21 VAL A 455 5.087 -7.067 6.022 1.00 0.00 H new ATOM 0 HG22 VAL A 455 3.921 -8.132 5.203 1.00 0.00 H new ATOM 0 HG23 VAL A 455 5.668 -8.394 4.988 1.00 0.00 H new ATOM 909 N VAL A 456 3.672 -6.154 0.828 1.00 0.00 N ATOM 910 CA VAL A 456 3.710 -5.263 -0.326 1.00 0.00 C ATOM 911 C VAL A 456 2.615 -4.204 -0.237 1.00 0.00 C ATOM 912 O VAL A 456 1.466 -4.509 0.080 1.00 0.00 O ATOM 913 CB VAL A 456 3.553 -6.046 -1.645 1.00 0.00 C ATOM 914 CG1 VAL A 456 2.211 -6.762 -1.689 1.00 0.00 C ATOM 915 CG2 VAL A 456 3.712 -5.119 -2.840 1.00 0.00 C ATOM 0 H VAL A 456 2.733 -6.424 1.123 1.00 0.00 H new ATOM 0 HA VAL A 456 4.684 -4.774 -0.319 1.00 0.00 H new ATOM 0 HB VAL A 456 4.340 -6.799 -1.692 1.00 0.00 H new ATOM 0 HG11 VAL A 456 2.121 -7.308 -2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 456 2.144 -7.460 -0.855 1.00 0.00 H new ATOM 0 HG13 VAL A 456 1.406 -6.031 -1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 456 3.598 -5.690 -3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 456 2.951 -4.340 -2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 456 4.701 -4.662 -2.817 1.00 0.00 H new ATOM 925 N THR A 457 2.982 -2.959 -0.520 1.00 0.00 N ATOM 926 CA THR A 457 2.030 -1.853 -0.473 1.00 0.00 C ATOM 927 C THR A 457 2.108 -1.009 -1.740 1.00 0.00 C ATOM 928 O THR A 457 3.168 -0.886 -2.353 1.00 0.00 O ATOM 929 CB THR A 457 2.280 -0.949 0.748 1.00 0.00 C ATOM 930 OG1 THR A 457 2.627 -1.745 1.886 1.00 0.00 O ATOM 931 CG2 THR A 457 1.046 -0.116 1.063 1.00 0.00 C ATOM 0 H THR A 457 3.930 -2.690 -0.784 1.00 0.00 H new ATOM 0 HA THR A 457 1.036 -2.293 -0.392 1.00 0.00 H new ATOM 0 HB THR A 457 3.105 -0.277 0.512 1.00 0.00 H new ATOM 0 HG1 THR A 457 2.786 -1.162 2.657 1.00 0.00 H new ATOM 0 HG21 THR A 457 1.245 0.515 1.929 1.00 0.00 H new ATOM 0 HG22 THR A 457 0.801 0.511 0.205 1.00 0.00 H new ATOM 0 HG23 THR A 457 0.207 -0.777 1.280 1.00 0.00 H new ATOM 939 N THR A 458 0.978 -0.427 -2.126 1.00 0.00 N ATOM 940 CA THR A 458 0.917 0.408 -3.320 1.00 0.00 C ATOM 941 C THR A 458 0.342 1.783 -2.999 1.00 0.00 C ATOM 942 O THR A 458 -0.682 1.898 -2.325 1.00 0.00 O ATOM 943 CB THR A 458 0.062 -0.248 -4.422 1.00 0.00 C ATOM 944 OG1 THR A 458 0.496 -1.596 -4.640 1.00 0.00 O ATOM 945 CG2 THR A 458 0.158 0.538 -5.721 1.00 0.00 C ATOM 0 H THR A 458 0.092 -0.518 -1.629 1.00 0.00 H new ATOM 0 HA THR A 458 1.939 0.519 -3.681 1.00 0.00 H new ATOM 0 HB THR A 458 -0.977 -0.250 -4.093 1.00 0.00 H new ATOM 0 HG1 THR A 458 -0.053 -2.007 -5.340 1.00 0.00 H new ATOM 0 HG21 THR A 458 -0.453 0.056 -6.484 1.00 0.00 H new ATOM 0 HG22 THR A 458 -0.199 1.555 -5.558 1.00 0.00 H new ATOM 0 HG23 THR A 458 1.196 0.567 -6.053 1.00 0.00 H new ATOM 953 N TYR A 459 1.009 2.826 -3.485 1.00 0.00 N ATOM 954 CA TYR A 459 0.564 4.195 -3.248 1.00 0.00 C ATOM 955 C TYR A 459 -0.017 4.805 -4.519 1.00 0.00 C ATOM 956 O TYR A 459 0.582 4.719 -5.591 1.00 0.00 O ATOM 957 CB TYR A 459 1.727 5.050 -2.742 1.00 0.00 C ATOM 958 CG TYR A 459 2.045 4.833 -1.278 1.00 0.00 C ATOM 959 CD1 TYR A 459 1.392 5.559 -0.291 1.00 0.00 C ATOM 960 CD2 TYR A 459 2.999 3.903 -0.885 1.00 0.00 C ATOM 961 CE1 TYR A 459 1.680 5.366 1.046 1.00 0.00 C ATOM 962 CE2 TYR A 459 3.292 3.703 0.449 1.00 0.00 C ATOM 963 CZ TYR A 459 2.630 4.436 1.411 1.00 0.00 C ATOM 964 OH TYR A 459 2.919 4.240 2.743 1.00 0.00 O ATOM 0 H TYR A 459 1.858 2.749 -4.045 1.00 0.00 H new ATOM 0 HA TYR A 459 -0.217 4.171 -2.488 1.00 0.00 H new ATOM 0 HB2 TYR A 459 2.615 4.829 -3.335 1.00 0.00 H new ATOM 0 HB3 TYR A 459 1.491 6.102 -2.902 1.00 0.00 H new ATOM 0 HD1 TYR A 459 0.646 6.287 -0.574 1.00 0.00 H new ATOM 0 HD2 TYR A 459 3.520 3.327 -1.635 1.00 0.00 H new ATOM 0 HE1 TYR A 459 1.164 5.940 1.801 1.00 0.00 H new ATOM 0 HE2 TYR A 459 4.036 2.976 0.738 1.00 0.00 H new ATOM 0 HH TYR A 459 3.609 3.550 2.830 1.00 0.00 H new ATOM 974 N GLU A 460 -1.186 5.423 -4.391 1.00 0.00 N ATOM 975 CA GLU A 460 -1.850 6.049 -5.530 1.00 0.00 C ATOM 976 C GLU A 460 -2.169 7.511 -5.236 1.00 0.00 C ATOM 977 O GLU A 460 -3.180 7.823 -4.607 1.00 0.00 O ATOM 978 CB GLU A 460 -3.135 5.294 -5.877 1.00 0.00 C ATOM 979 CG GLU A 460 -2.891 3.936 -6.513 1.00 0.00 C ATOM 980 CD GLU A 460 -4.149 3.340 -7.114 1.00 0.00 C ATOM 981 OE1 GLU A 460 -5.067 4.115 -7.459 1.00 0.00 O ATOM 982 OE2 GLU A 460 -4.215 2.101 -7.242 1.00 0.00 O ATOM 0 H GLU A 460 -1.694 5.504 -3.510 1.00 0.00 H new ATOM 0 HA GLU A 460 -1.172 6.007 -6.382 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -3.724 5.160 -4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -3.731 5.902 -6.557 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -2.133 4.034 -7.290 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -2.493 3.253 -5.762 1.00 0.00 H new ATOM 989 N GLY A 461 -1.300 8.407 -5.696 1.00 0.00 N ATOM 990 CA GLY A 461 -1.507 9.824 -5.473 1.00 0.00 C ATOM 991 C GLY A 461 -0.264 10.516 -4.951 1.00 0.00 C ATOM 992 O GLY A 461 0.844 9.997 -5.076 1.00 0.00 O ATOM 0 H GLY A 461 -0.456 8.175 -6.219 1.00 0.00 H new ATOM 0 HA2 GLY A 461 -1.816 10.294 -6.407 1.00 0.00 H new ATOM 0 HA3 GLY A 461 -2.322 9.962 -4.762 1.00 0.00 H new ATOM 996 N LYS A 462 -0.448 11.695 -4.363 1.00 0.00 N ATOM 997 CA LYS A 462 0.667 12.460 -3.817 1.00 0.00 C ATOM 998 C LYS A 462 0.225 13.277 -2.608 1.00 0.00 C ATOM 999 O LYS A 462 -0.854 13.871 -2.606 1.00 0.00 O ATOM 1000 CB LYS A 462 1.250 13.384 -4.888 1.00 0.00 C ATOM 1001 CG LYS A 462 2.470 12.806 -5.591 1.00 0.00 C ATOM 1002 CD LYS A 462 2.162 12.433 -7.033 1.00 0.00 C ATOM 1003 CE LYS A 462 3.423 12.397 -7.880 1.00 0.00 C ATOM 1004 NZ LYS A 462 3.138 12.687 -9.312 1.00 0.00 N ATOM 0 H LYS A 462 -1.359 12.141 -4.253 1.00 0.00 H new ATOM 0 HA LYS A 462 1.436 11.758 -3.496 1.00 0.00 H new ATOM 0 HB2 LYS A 462 0.481 13.598 -5.630 1.00 0.00 H new ATOM 0 HB3 LYS A 462 1.522 14.334 -4.428 1.00 0.00 H new ATOM 0 HG2 LYS A 462 3.282 13.533 -5.568 1.00 0.00 H new ATOM 0 HG3 LYS A 462 2.817 11.924 -5.053 1.00 0.00 H new ATOM 0 HD2 LYS A 462 1.675 11.458 -7.062 1.00 0.00 H new ATOM 0 HD3 LYS A 462 1.460 13.153 -7.454 1.00 0.00 H new ATOM 0 HE2 LYS A 462 4.138 13.125 -7.497 1.00 0.00 H new ATOM 0 HE3 LYS A 462 3.890 11.416 -7.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 4.024 12.653 -9.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 2.475 11.977 -9.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 2.716 13.634 -9.397 1.00 0.00 H new ATOM 1018 N HIS A 463 1.068 13.305 -1.579 1.00 0.00 N ATOM 1019 CA HIS A 463 0.765 14.050 -0.362 1.00 0.00 C ATOM 1020 C HIS A 463 1.122 15.524 -0.524 1.00 0.00 C ATOM 1021 O HIS A 463 2.140 15.864 -1.128 1.00 0.00 O ATOM 1022 CB HIS A 463 1.524 13.457 0.825 1.00 0.00 C ATOM 1023 CG HIS A 463 1.101 12.062 1.169 1.00 0.00 C ATOM 1024 ND1 HIS A 463 -0.051 11.773 1.867 1.00 0.00 N ATOM 1025 CD2 HIS A 463 1.684 10.867 0.904 1.00 0.00 C ATOM 1026 CE1 HIS A 463 -0.160 10.466 2.019 1.00 0.00 C ATOM 1027 NE2 HIS A 463 0.880 9.892 1.442 1.00 0.00 N ATOM 0 H HIS A 463 1.965 12.821 -1.564 1.00 0.00 H new ATOM 0 HA HIS A 463 -0.306 13.973 -0.175 1.00 0.00 H new ATOM 0 HB2 HIS A 463 2.591 13.460 0.602 1.00 0.00 H new ATOM 0 HB3 HIS A 463 1.379 14.097 1.695 1.00 0.00 H new ATOM 0 HD2 HIS A 463 2.609 10.711 0.369 1.00 0.00 H new ATOM 0 HE1 HIS A 463 -0.963 9.954 2.528 1.00 0.00 H new ATOM 0 HE2 HIS A 463 1.057 8.888 1.402 1.00 0.00 H new ATOM 1035 N ASN A 464 0.279 16.395 0.021 1.00 0.00 N ATOM 1036 CA ASN A 464 0.506 17.833 -0.060 1.00 0.00 C ATOM 1037 C ASN A 464 0.540 18.458 1.330 1.00 0.00 C ATOM 1038 O ASN A 464 0.157 19.615 1.510 1.00 0.00 O ATOM 1039 CB ASN A 464 -0.583 18.496 -0.905 1.00 0.00 C ATOM 1040 CG ASN A 464 -1.978 18.109 -0.456 1.00 0.00 C ATOM 1041 OD1 ASN A 464 -2.148 17.310 0.464 1.00 0.00 O ATOM 1042 ND2 ASN A 464 -2.987 18.679 -1.104 1.00 0.00 N ATOM 0 H ASN A 464 -0.568 16.130 0.524 1.00 0.00 H new ATOM 0 HA ASN A 464 1.473 17.996 -0.535 1.00 0.00 H new ATOM 0 HB2 ASN A 464 -0.474 19.579 -0.849 1.00 0.00 H new ATOM 0 HB3 ASN A 464 -0.450 18.216 -1.950 1.00 0.00 H new ATOM 0 HD21 ASN A 464 -3.949 18.460 -0.845 1.00 0.00 H new ATOM 0 HD22 ASN A 464 -2.800 19.336 -1.861 1.00 0.00 H new ATOM 1049 N HIS A 465 1.000 17.688 2.309 1.00 0.00 N ATOM 1050 CA HIS A 465 1.083 18.167 3.684 1.00 0.00 C ATOM 1051 C HIS A 465 2.287 17.563 4.399 1.00 0.00 C ATOM 1052 O HIS A 465 2.795 16.515 4.002 1.00 0.00 O ATOM 1053 CB HIS A 465 -0.200 17.827 4.445 1.00 0.00 C ATOM 1054 CG HIS A 465 -0.504 16.360 4.479 1.00 0.00 C ATOM 1055 ND1 HIS A 465 -0.366 15.589 5.614 1.00 0.00 N ATOM 1056 CD2 HIS A 465 -0.943 15.522 3.509 1.00 0.00 C ATOM 1057 CE1 HIS A 465 -0.704 14.342 5.342 1.00 0.00 C ATOM 1058 NE2 HIS A 465 -1.060 14.275 4.071 1.00 0.00 N ATOM 0 H HIS A 465 1.321 16.729 2.176 1.00 0.00 H new ATOM 0 HA HIS A 465 1.204 19.250 3.657 1.00 0.00 H new ATOM 0 HB2 HIS A 465 -0.115 18.196 5.467 1.00 0.00 H new ATOM 0 HB3 HIS A 465 -1.036 18.353 3.984 1.00 0.00 H new ATOM 0 HD2 HIS A 465 -1.160 15.786 2.485 1.00 0.00 H new ATOM 0 HE1 HIS A 465 -0.692 13.517 6.039 1.00 0.00 H new ATOM 0 HE2 HIS A 465 -1.371 13.433 3.586 1.00 0.00 H new