USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=16 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 -57:sc= 0.631 USER MOD Set 1.2: A 436 THR OG1 : rot 171:sc= 0.357 USER MOD Set 1.3: A 439 CYS SG : rot -150:sc= -3.03! USER MOD Set 1.4: A 463 HIS : no HD1:sc= 0 X(o=-2.4,f=-2.7) USER MOD Set 1.5: A 465 HIS : no HD1:sc= -0.389 X(o=-2.4,f=-2.5) USER MOD Set 2.1: A 416 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 430 SER OG : rot 180:sc= 0 USER MOD Single : A 412 TYR OH : rot 180:sc= 0 USER MOD Single : A 417 TYR OH : rot 180:sc= -0.522 USER MOD Single : A 419 GLN : amide:sc= 0 X(o=0,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= 0 K(o=0,f=-1.5) USER MOD Single : A 427 TYR OH : rot 180:sc= 0 USER MOD Single : A 431 TYR OH : rot 180:sc= 0 USER MOD Single : A 432 TYR OH : rot 180:sc= -0.011 USER MOD Single : A 433 LYS NZ :NH3+ -157:sc= -0.0348 (180deg=-0.299) USER MOD Single : A 435 THR OG1 : rot 180:sc= 0 USER MOD Single : A 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 444 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.48) USER MOD Single : A 450 THR OG1 : rot 180:sc= 0.0194 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+ -179:sc= 0 (180deg=-0.00165) USER MOD Single : A 464 ASN : amide:sc= -0.125 K(o=-0.12,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 185 N TYR A 412 0.448 9.648 9.018 1.00 0.00 N ATOM 186 CA TYR A 412 -0.602 10.314 8.255 1.00 0.00 C ATOM 187 C TYR A 412 -1.982 9.872 8.730 1.00 0.00 C ATOM 188 O TYR A 412 -2.105 8.962 9.550 1.00 0.00 O ATOM 189 CB TYR A 412 -0.442 10.018 6.763 1.00 0.00 C ATOM 190 CG TYR A 412 0.883 10.470 6.193 1.00 0.00 C ATOM 191 CD1 TYR A 412 1.371 11.744 6.449 1.00 0.00 C ATOM 192 CD2 TYR A 412 1.647 9.622 5.401 1.00 0.00 C ATOM 193 CE1 TYR A 412 2.582 12.163 5.932 1.00 0.00 C ATOM 194 CE2 TYR A 412 2.859 10.033 4.879 1.00 0.00 C ATOM 195 CZ TYR A 412 3.322 11.303 5.148 1.00 0.00 C ATOM 196 OH TYR A 412 4.529 11.716 4.630 1.00 0.00 O ATOM 0 HA TYR A 412 -0.510 11.388 8.416 1.00 0.00 H new ATOM 0 HB2 TYR A 412 -0.551 8.946 6.601 1.00 0.00 H new ATOM 0 HB3 TYR A 412 -1.248 10.506 6.216 1.00 0.00 H new ATOM 0 HD1 TYR A 412 0.794 12.420 7.063 1.00 0.00 H new ATOM 0 HD2 TYR A 412 1.288 8.626 5.190 1.00 0.00 H new ATOM 0 HE1 TYR A 412 2.947 13.158 6.141 1.00 0.00 H new ATOM 0 HE2 TYR A 412 3.440 9.362 4.263 1.00 0.00 H new ATOM 0 HH TYR A 412 4.924 10.991 4.102 1.00 0.00 H new ATOM 206 N ARG A 413 -3.017 10.522 8.209 1.00 0.00 N ATOM 207 CA ARG A 413 -4.389 10.196 8.581 1.00 0.00 C ATOM 208 C ARG A 413 -5.027 9.267 7.551 1.00 0.00 C ATOM 209 O ARG A 413 -5.496 9.715 6.504 1.00 0.00 O ATOM 210 CB ARG A 413 -5.219 11.473 8.717 1.00 0.00 C ATOM 211 CG ARG A 413 -4.788 12.356 9.875 1.00 0.00 C ATOM 212 CD ARG A 413 -4.951 13.831 9.543 1.00 0.00 C ATOM 213 NE ARG A 413 -5.319 14.619 10.717 1.00 0.00 N ATOM 214 CZ ARG A 413 -6.553 14.678 11.214 1.00 0.00 C ATOM 215 NH1 ARG A 413 -7.539 13.998 10.641 1.00 0.00 N ATOM 216 NH2 ARG A 413 -6.802 15.416 12.286 1.00 0.00 N ATOM 0 H ARG A 413 -2.932 11.277 7.528 1.00 0.00 H new ATOM 0 HA ARG A 413 -4.366 9.682 9.542 1.00 0.00 H new ATOM 0 HB2 ARG A 413 -5.149 12.043 7.790 1.00 0.00 H new ATOM 0 HB3 ARG A 413 -6.267 11.203 8.847 1.00 0.00 H new ATOM 0 HG2 ARG A 413 -5.379 12.113 10.758 1.00 0.00 H new ATOM 0 HG3 ARG A 413 -3.746 12.151 10.122 1.00 0.00 H new ATOM 0 HD2 ARG A 413 -4.019 14.214 9.127 1.00 0.00 H new ATOM 0 HD3 ARG A 413 -5.715 13.947 8.774 1.00 0.00 H new ATOM 0 HE ARG A 413 -4.588 15.156 11.183 1.00 0.00 H new ATOM 0 HH11 ARG A 413 -7.353 13.427 9.816 1.00 0.00 H new ATOM 0 HH12 ARG A 413 -8.483 14.046 11.025 1.00 0.00 H new ATOM 0 HH21 ARG A 413 -6.048 15.939 12.731 1.00 0.00 H new ATOM 0 HH22 ARG A 413 -7.748 15.461 12.666 1.00 0.00 H new ATOM 230 N TRP A 414 -5.039 7.974 7.855 1.00 0.00 N ATOM 231 CA TRP A 414 -5.619 6.982 6.957 1.00 0.00 C ATOM 232 C TRP A 414 -6.988 6.532 7.455 1.00 0.00 C ATOM 233 O TRP A 414 -7.298 6.648 8.640 1.00 0.00 O ATOM 234 CB TRP A 414 -4.690 5.775 6.827 1.00 0.00 C ATOM 235 CG TRP A 414 -3.298 6.136 6.405 1.00 0.00 C ATOM 236 CD1 TRP A 414 -2.235 6.394 7.221 1.00 0.00 C ATOM 237 CD2 TRP A 414 -2.820 6.278 5.063 1.00 0.00 C ATOM 238 NE1 TRP A 414 -1.124 6.689 6.469 1.00 0.00 N ATOM 239 CE2 TRP A 414 -1.457 6.625 5.141 1.00 0.00 C ATOM 240 CE3 TRP A 414 -3.409 6.146 3.803 1.00 0.00 C ATOM 241 CZ2 TRP A 414 -0.677 6.839 4.007 1.00 0.00 C ATOM 242 CZ3 TRP A 414 -2.634 6.359 2.678 1.00 0.00 C ATOM 243 CH2 TRP A 414 -1.280 6.703 2.787 1.00 0.00 C ATOM 0 H TRP A 414 -4.654 7.588 8.717 1.00 0.00 H new ATOM 0 HA TRP A 414 -5.742 7.444 5.978 1.00 0.00 H new ATOM 0 HB2 TRP A 414 -4.648 5.254 7.784 1.00 0.00 H new ATOM 0 HB3 TRP A 414 -5.112 5.078 6.103 1.00 0.00 H new ATOM 0 HD1 TRP A 414 -2.263 6.370 8.300 1.00 0.00 H new ATOM 0 HE1 TRP A 414 -0.201 6.918 6.839 1.00 0.00 H new ATOM 0 HE3 TRP A 414 -4.452 5.882 3.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 414 0.367 7.103 4.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 414 -3.079 6.259 1.699 1.00 0.00 H new ATOM 0 HH2 TRP A 414 -0.701 6.864 1.890 1.00 0.00 H new ATOM 254 N ARG A 415 -7.803 6.015 6.541 1.00 0.00 N ATOM 255 CA ARG A 415 -9.139 5.544 6.886 1.00 0.00 C ATOM 256 C ARG A 415 -9.561 4.398 5.973 1.00 0.00 C ATOM 257 O ARG A 415 -9.427 4.481 4.751 1.00 0.00 O ATOM 258 CB ARG A 415 -10.149 6.690 6.786 1.00 0.00 C ATOM 259 CG ARG A 415 -11.446 6.423 7.534 1.00 0.00 C ATOM 260 CD ARG A 415 -12.658 6.527 6.619 1.00 0.00 C ATOM 261 NE ARG A 415 -13.475 7.699 6.923 1.00 0.00 N ATOM 262 CZ ARG A 415 -14.481 8.119 6.160 1.00 0.00 C ATOM 263 NH1 ARG A 415 -14.796 7.469 5.047 1.00 0.00 N ATOM 264 NH2 ARG A 415 -15.175 9.194 6.511 1.00 0.00 N ATOM 0 H ARG A 415 -7.561 5.912 5.555 1.00 0.00 H new ATOM 0 HA ARG A 415 -9.116 5.179 7.913 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -9.694 7.600 7.177 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -10.376 6.873 5.736 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -11.411 5.429 7.979 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -11.547 7.135 8.353 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -12.326 6.576 5.582 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -13.265 5.627 6.717 1.00 0.00 H new ATOM 0 HE ARG A 415 -13.262 8.226 7.770 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -14.266 6.642 4.772 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -15.568 7.796 4.467 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -14.937 9.698 7.365 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -15.946 9.516 5.926 1.00 0.00 H new ATOM 278 N LYS A 416 -10.069 3.327 6.574 1.00 0.00 N ATOM 279 CA LYS A 416 -10.509 2.162 5.815 1.00 0.00 C ATOM 280 C LYS A 416 -11.803 2.456 5.063 1.00 0.00 C ATOM 281 O LYS A 416 -12.615 3.271 5.499 1.00 0.00 O ATOM 282 CB LYS A 416 -10.710 0.965 6.748 1.00 0.00 C ATOM 283 CG LYS A 416 -10.305 -0.363 6.128 1.00 0.00 C ATOM 284 CD LYS A 416 -10.224 -1.462 7.174 1.00 0.00 C ATOM 285 CE LYS A 416 -10.662 -2.803 6.606 1.00 0.00 C ATOM 286 NZ LYS A 416 -10.007 -3.943 7.305 1.00 0.00 N ATOM 0 H LYS A 416 -10.186 3.242 7.584 1.00 0.00 H new ATOM 0 HA LYS A 416 -9.734 1.922 5.087 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -10.132 1.123 7.658 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -11.759 0.915 7.041 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -11.026 -0.642 5.360 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -9.339 -0.256 5.635 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -9.202 -1.539 7.545 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -10.853 -1.203 8.025 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -11.744 -2.898 6.693 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -10.422 -2.843 5.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -10.332 -4.839 6.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -8.975 -3.867 7.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -10.256 -3.920 8.315 1.00 0.00 H new ATOM 300 N TYR A 417 -11.987 1.788 3.930 1.00 0.00 N ATOM 301 CA TYR A 417 -13.182 1.976 3.116 1.00 0.00 C ATOM 302 C TYR A 417 -13.695 0.640 2.587 1.00 0.00 C ATOM 303 O TYR A 417 -14.890 0.352 2.656 1.00 0.00 O ATOM 304 CB TYR A 417 -12.885 2.920 1.948 1.00 0.00 C ATOM 305 CG TYR A 417 -11.784 2.429 1.035 1.00 0.00 C ATOM 306 CD1 TYR A 417 -12.068 1.602 -0.046 1.00 0.00 C ATOM 307 CD2 TYR A 417 -10.460 2.791 1.255 1.00 0.00 C ATOM 308 CE1 TYR A 417 -11.063 1.152 -0.881 1.00 0.00 C ATOM 309 CE2 TYR A 417 -9.452 2.344 0.422 1.00 0.00 C ATOM 310 CZ TYR A 417 -9.758 1.526 -0.644 1.00 0.00 C ATOM 311 OH TYR A 417 -8.756 1.080 -1.474 1.00 0.00 O ATOM 0 H TYR A 417 -11.323 1.111 3.554 1.00 0.00 H new ATOM 0 HA TYR A 417 -13.955 2.418 3.745 1.00 0.00 H new ATOM 0 HB2 TYR A 417 -13.795 3.058 1.364 1.00 0.00 H new ATOM 0 HB3 TYR A 417 -12.608 3.897 2.343 1.00 0.00 H new ATOM 0 HD1 TYR A 417 -13.089 1.307 -0.236 1.00 0.00 H new ATOM 0 HD2 TYR A 417 -10.215 3.431 2.090 1.00 0.00 H new ATOM 0 HE1 TYR A 417 -11.299 0.510 -1.716 1.00 0.00 H new ATOM 0 HE2 TYR A 417 -8.428 2.635 0.606 1.00 0.00 H new ATOM 0 HH TYR A 417 -7.895 1.436 -1.168 1.00 0.00 H new ATOM 321 N GLY A 418 -12.784 -0.172 2.061 1.00 0.00 N ATOM 322 CA GLY A 418 -13.164 -1.468 1.529 1.00 0.00 C ATOM 323 C GLY A 418 -12.116 -2.532 1.790 1.00 0.00 C ATOM 324 O GLY A 418 -10.951 -2.365 1.430 1.00 0.00 O ATOM 0 H GLY A 418 -11.789 0.044 1.994 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -14.110 -1.777 1.974 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -13.330 -1.382 0.455 1.00 0.00 H new ATOM 328 N GLN A 419 -12.529 -3.627 2.420 1.00 0.00 N ATOM 329 CA GLN A 419 -11.616 -4.721 2.729 1.00 0.00 C ATOM 330 C GLN A 419 -11.846 -5.903 1.793 1.00 0.00 C ATOM 331 O GLN A 419 -12.937 -6.077 1.251 1.00 0.00 O ATOM 332 CB GLN A 419 -11.794 -5.166 4.182 1.00 0.00 C ATOM 333 CG GLN A 419 -13.230 -5.513 4.541 1.00 0.00 C ATOM 334 CD GLN A 419 -13.357 -6.884 5.178 1.00 0.00 C ATOM 335 OE1 GLN A 419 -13.569 -7.883 4.492 1.00 0.00 O ATOM 336 NE2 GLN A 419 -13.231 -6.936 6.500 1.00 0.00 N ATOM 0 H GLN A 419 -13.490 -3.780 2.726 1.00 0.00 H new ATOM 0 HA GLN A 419 -10.597 -4.361 2.588 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -11.162 -6.035 4.367 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -11.445 -4.372 4.842 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -13.621 -4.761 5.226 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -13.845 -5.476 3.642 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -13.055 -6.082 7.030 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -13.310 -7.830 6.985 1.00 0.00 H new ATOM 345 N LYS A 420 -10.809 -6.714 1.608 1.00 0.00 N ATOM 346 CA LYS A 420 -10.896 -7.881 0.736 1.00 0.00 C ATOM 347 C LYS A 420 -10.413 -9.134 1.459 1.00 0.00 C ATOM 348 O LYS A 420 -9.373 -9.120 2.119 1.00 0.00 O ATOM 349 CB LYS A 420 -10.075 -7.656 -0.536 1.00 0.00 C ATOM 350 CG LYS A 420 -10.922 -7.524 -1.790 1.00 0.00 C ATOM 351 CD LYS A 420 -11.594 -8.839 -2.149 1.00 0.00 C ATOM 352 CE LYS A 420 -10.585 -9.865 -2.643 1.00 0.00 C ATOM 353 NZ LYS A 420 -11.232 -10.938 -3.446 1.00 0.00 N ATOM 0 H LYS A 420 -9.899 -6.585 2.050 1.00 0.00 H new ATOM 0 HA LYS A 420 -11.941 -8.024 0.461 1.00 0.00 H new ATOM 0 HB2 LYS A 420 -9.475 -6.754 -0.416 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -9.381 -8.487 -0.662 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -11.680 -6.756 -1.639 1.00 0.00 H new ATOM 0 HG3 LYS A 420 -10.296 -7.195 -2.620 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -12.116 -9.232 -1.277 1.00 0.00 H new ATOM 0 HD3 LYS A 420 -12.345 -8.666 -2.919 1.00 0.00 H new ATOM 0 HE2 LYS A 420 -9.827 -9.367 -3.247 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -10.072 -10.309 -1.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 -10.511 -11.617 -3.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -11.938 -11.431 -2.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 -11.700 -10.518 -4.274 1.00 0.00 H new ATOM 367 N VAL A 421 -11.173 -10.217 1.330 1.00 0.00 N ATOM 368 CA VAL A 421 -10.821 -11.478 1.970 1.00 0.00 C ATOM 369 C VAL A 421 -10.192 -12.445 0.971 1.00 0.00 C ATOM 370 O VAL A 421 -10.522 -12.431 -0.215 1.00 0.00 O ATOM 371 CB VAL A 421 -12.053 -12.145 2.615 1.00 0.00 C ATOM 372 CG1 VAL A 421 -13.096 -12.484 1.560 1.00 0.00 C ATOM 373 CG2 VAL A 421 -11.645 -13.386 3.393 1.00 0.00 C ATOM 0 H VAL A 421 -12.037 -10.246 0.788 1.00 0.00 H new ATOM 0 HA VAL A 421 -10.096 -11.246 2.750 1.00 0.00 H new ATOM 0 HB VAL A 421 -12.498 -11.438 3.315 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -13.956 -12.954 2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -13.414 -11.571 1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -12.666 -13.170 0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 421 -12.528 -13.842 3.840 1.00 0.00 H new ATOM 0 HG22 VAL A 421 -11.171 -14.099 2.718 1.00 0.00 H new ATOM 0 HG23 VAL A 421 -10.943 -13.108 4.179 1.00 0.00 H new ATOM 383 N VAL A 422 -9.285 -13.285 1.459 1.00 0.00 N ATOM 384 CA VAL A 422 -8.610 -14.258 0.609 1.00 0.00 C ATOM 385 C VAL A 422 -8.719 -15.664 1.193 1.00 0.00 C ATOM 386 O VAL A 422 -8.250 -15.925 2.301 1.00 0.00 O ATOM 387 CB VAL A 422 -7.122 -13.906 0.421 1.00 0.00 C ATOM 388 CG1 VAL A 422 -6.473 -14.842 -0.588 1.00 0.00 C ATOM 389 CG2 VAL A 422 -6.964 -12.455 -0.007 1.00 0.00 C ATOM 0 H VAL A 422 -9.001 -13.311 2.438 1.00 0.00 H new ATOM 0 HA VAL A 422 -9.106 -14.229 -0.361 1.00 0.00 H new ATOM 0 HB VAL A 422 -6.615 -14.034 1.378 1.00 0.00 H new ATOM 0 HG11 VAL A 422 -5.422 -14.577 -0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 422 -6.550 -15.870 -0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 422 -6.981 -14.751 -1.548 1.00 0.00 H new ATOM 0 HG21 VAL A 422 -5.906 -12.226 -0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 422 -7.486 -12.295 -0.950 1.00 0.00 H new ATOM 0 HG23 VAL A 422 -7.387 -11.802 0.757 1.00 0.00 H new ATOM 399 N LYS A 423 -9.340 -16.565 0.439 1.00 0.00 N ATOM 400 CA LYS A 423 -9.510 -17.944 0.883 1.00 0.00 C ATOM 401 C LYS A 423 -8.183 -18.694 0.846 1.00 0.00 C ATOM 402 O LYS A 423 -7.482 -18.687 -0.167 1.00 0.00 O ATOM 403 CB LYS A 423 -10.543 -18.660 0.008 1.00 0.00 C ATOM 404 CG LYS A 423 -11.900 -18.813 0.672 1.00 0.00 C ATOM 405 CD LYS A 423 -12.877 -17.750 0.198 1.00 0.00 C ATOM 406 CE LYS A 423 -14.284 -18.311 0.052 1.00 0.00 C ATOM 407 NZ LYS A 423 -15.126 -18.016 1.244 1.00 0.00 N ATOM 0 H LYS A 423 -9.733 -16.366 -0.481 1.00 0.00 H new ATOM 0 HA LYS A 423 -9.867 -17.928 1.913 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -10.664 -18.107 -0.923 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -10.163 -19.647 -0.255 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -12.303 -19.802 0.454 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -11.786 -18.747 1.754 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -12.886 -16.921 0.906 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -12.543 -17.348 -0.759 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -14.753 -17.889 -0.837 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -14.231 -19.389 -0.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -16.076 -18.415 1.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -14.693 -18.440 2.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -15.198 -16.986 1.372 1.00 0.00 H new ATOM 421 N GLY A 424 -7.844 -19.343 1.956 1.00 0.00 N ATOM 422 CA GLY A 424 -6.603 -20.091 2.029 1.00 0.00 C ATOM 423 C GLY A 424 -5.496 -19.312 2.713 1.00 0.00 C ATOM 424 O GLY A 424 -4.595 -19.901 3.312 1.00 0.00 O ATOM 0 H GLY A 424 -8.407 -19.364 2.806 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -6.775 -21.022 2.569 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -6.285 -20.360 1.022 1.00 0.00 H new ATOM 428 N ASN A 425 -5.564 -17.989 2.626 1.00 0.00 N ATOM 429 CA ASN A 425 -4.558 -17.130 3.243 1.00 0.00 C ATOM 430 C ASN A 425 -4.968 -16.746 4.664 1.00 0.00 C ATOM 431 O ASN A 425 -6.089 -16.288 4.889 1.00 0.00 O ATOM 432 CB ASN A 425 -4.350 -15.870 2.401 1.00 0.00 C ATOM 433 CG ASN A 425 -3.567 -16.145 1.132 1.00 0.00 C ATOM 434 OD1 ASN A 425 -3.479 -17.287 0.678 1.00 0.00 O ATOM 435 ND2 ASN A 425 -2.993 -15.097 0.552 1.00 0.00 N ATOM 0 H ASN A 425 -6.304 -17.487 2.135 1.00 0.00 H new ATOM 0 HA ASN A 425 -3.621 -17.685 3.292 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -5.320 -15.446 2.141 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -3.824 -15.123 2.995 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -2.453 -15.220 -0.305 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -3.092 -14.169 0.963 1.00 0.00 H new ATOM 442 N PRO A 426 -4.066 -16.926 5.646 1.00 0.00 N ATOM 443 CA PRO A 426 -4.348 -16.594 7.045 1.00 0.00 C ATOM 444 C PRO A 426 -4.324 -15.090 7.306 1.00 0.00 C ATOM 445 O PRO A 426 -4.848 -14.619 8.315 1.00 0.00 O ATOM 446 CB PRO A 426 -3.215 -17.285 7.802 1.00 0.00 C ATOM 447 CG PRO A 426 -2.084 -17.316 6.835 1.00 0.00 C ATOM 448 CD PRO A 426 -2.704 -17.467 5.472 1.00 0.00 C ATOM 0 HA PRO A 426 -5.345 -16.915 7.348 1.00 0.00 H new ATOM 0 HB2 PRO A 426 -2.949 -16.737 8.706 1.00 0.00 H new ATOM 0 HB3 PRO A 426 -3.500 -18.291 8.112 1.00 0.00 H new ATOM 0 HG2 PRO A 426 -1.494 -16.401 6.896 1.00 0.00 H new ATOM 0 HG3 PRO A 426 -1.410 -18.145 7.050 1.00 0.00 H new ATOM 0 HD2 PRO A 426 -2.147 -16.914 4.715 1.00 0.00 H new ATOM 0 HD3 PRO A 426 -2.725 -18.510 5.155 1.00 0.00 H new ATOM 456 N TYR A 427 -3.712 -14.341 6.393 1.00 0.00 N ATOM 457 CA TYR A 427 -3.621 -12.891 6.530 1.00 0.00 C ATOM 458 C TYR A 427 -4.480 -12.187 5.481 1.00 0.00 C ATOM 459 O TYR A 427 -4.037 -11.966 4.354 1.00 0.00 O ATOM 460 CB TYR A 427 -2.165 -12.438 6.398 1.00 0.00 C ATOM 461 CG TYR A 427 -1.194 -13.278 7.198 1.00 0.00 C ATOM 462 CD1 TYR A 427 -1.467 -13.624 8.514 1.00 0.00 C ATOM 463 CD2 TYR A 427 -0.004 -13.722 6.634 1.00 0.00 C ATOM 464 CE1 TYR A 427 -0.582 -14.392 9.248 1.00 0.00 C ATOM 465 CE2 TYR A 427 0.886 -14.490 7.362 1.00 0.00 C ATOM 466 CZ TYR A 427 0.593 -14.821 8.667 1.00 0.00 C ATOM 467 OH TYR A 427 1.477 -15.585 9.395 1.00 0.00 O ATOM 0 H TYR A 427 -3.272 -14.714 5.551 1.00 0.00 H new ATOM 0 HA TYR A 427 -3.993 -12.621 7.518 1.00 0.00 H new ATOM 0 HB2 TYR A 427 -1.878 -12.468 5.347 1.00 0.00 H new ATOM 0 HB3 TYR A 427 -2.086 -11.400 6.721 1.00 0.00 H new ATOM 0 HD1 TYR A 427 -2.385 -13.288 8.972 1.00 0.00 H new ATOM 0 HD2 TYR A 427 0.229 -13.463 5.612 1.00 0.00 H new ATOM 0 HE1 TYR A 427 -0.810 -14.654 10.271 1.00 0.00 H new ATOM 0 HE2 TYR A 427 1.806 -14.829 6.910 1.00 0.00 H new ATOM 0 HH TYR A 427 2.254 -15.805 8.839 1.00 0.00 H new ATOM 477 N PRO A 428 -5.727 -11.826 5.837 1.00 0.00 N ATOM 478 CA PRO A 428 -6.644 -11.145 4.917 1.00 0.00 C ATOM 479 C PRO A 428 -6.018 -9.900 4.294 1.00 0.00 C ATOM 480 O PRO A 428 -4.839 -9.616 4.498 1.00 0.00 O ATOM 481 CB PRO A 428 -7.824 -10.758 5.810 1.00 0.00 C ATOM 482 CG PRO A 428 -7.789 -11.737 6.932 1.00 0.00 C ATOM 483 CD PRO A 428 -6.337 -12.051 7.161 1.00 0.00 C ATOM 0 HA PRO A 428 -6.921 -11.779 4.075 1.00 0.00 H new ATOM 0 HB2 PRO A 428 -7.726 -9.735 6.174 1.00 0.00 H new ATOM 0 HB3 PRO A 428 -8.767 -10.813 5.266 1.00 0.00 H new ATOM 0 HG2 PRO A 428 -8.244 -11.318 7.830 1.00 0.00 H new ATOM 0 HG3 PRO A 428 -8.349 -12.638 6.681 1.00 0.00 H new ATOM 0 HD2 PRO A 428 -5.900 -11.402 7.920 1.00 0.00 H new ATOM 0 HD3 PRO A 428 -6.196 -13.078 7.499 1.00 0.00 H new ATOM 491 N ARG A 429 -6.818 -9.161 3.531 1.00 0.00 N ATOM 492 CA ARG A 429 -6.345 -7.947 2.879 1.00 0.00 C ATOM 493 C ARG A 429 -7.090 -6.722 3.398 1.00 0.00 C ATOM 494 O ARG A 429 -8.283 -6.787 3.694 1.00 0.00 O ATOM 495 CB ARG A 429 -6.518 -8.059 1.362 1.00 0.00 C ATOM 496 CG ARG A 429 -5.313 -8.658 0.655 1.00 0.00 C ATOM 497 CD ARG A 429 -5.682 -9.189 -0.721 1.00 0.00 C ATOM 498 NE ARG A 429 -4.570 -9.088 -1.662 1.00 0.00 N ATOM 499 CZ ARG A 429 -3.480 -9.853 -1.608 1.00 0.00 C ATOM 500 NH1 ARG A 429 -3.354 -10.774 -0.661 1.00 0.00 N ATOM 501 NH2 ARG A 429 -2.516 -9.698 -2.505 1.00 0.00 N ATOM 0 H ARG A 429 -7.797 -9.383 3.350 1.00 0.00 H new ATOM 0 HA ARG A 429 -5.287 -7.829 3.111 1.00 0.00 H new ATOM 0 HB2 ARG A 429 -7.395 -8.670 1.149 1.00 0.00 H new ATOM 0 HB3 ARG A 429 -6.713 -7.068 0.953 1.00 0.00 H new ATOM 0 HG2 ARG A 429 -4.534 -7.902 0.558 1.00 0.00 H new ATOM 0 HG3 ARG A 429 -4.900 -9.466 1.259 1.00 0.00 H new ATOM 0 HD2 ARG A 429 -5.992 -10.231 -0.637 1.00 0.00 H new ATOM 0 HD3 ARG A 429 -6.536 -8.632 -1.107 1.00 0.00 H new ATOM 0 HE ARG A 429 -4.631 -8.391 -2.404 1.00 0.00 H new ATOM 0 HH11 ARG A 429 -4.094 -10.899 0.030 1.00 0.00 H new ATOM 0 HH12 ARG A 429 -2.518 -11.357 -0.624 1.00 0.00 H new ATOM 0 HH21 ARG A 429 -2.609 -8.993 -3.236 1.00 0.00 H new ATOM 0 HH22 ARG A 429 -1.682 -10.284 -2.464 1.00 0.00 H new ATOM 515 N SER A 430 -6.378 -5.605 3.505 1.00 0.00 N ATOM 516 CA SER A 430 -6.972 -4.363 3.987 1.00 0.00 C ATOM 517 C SER A 430 -6.569 -3.188 3.102 1.00 0.00 C ATOM 518 O SER A 430 -5.435 -3.115 2.630 1.00 0.00 O ATOM 519 CB SER A 430 -6.545 -4.097 5.432 1.00 0.00 C ATOM 520 OG SER A 430 -6.948 -5.153 6.285 1.00 0.00 O ATOM 0 H SER A 430 -5.389 -5.534 3.265 1.00 0.00 H new ATOM 0 HA SER A 430 -8.056 -4.469 3.949 1.00 0.00 H new ATOM 0 HB2 SER A 430 -5.462 -3.980 5.479 1.00 0.00 H new ATOM 0 HB3 SER A 430 -6.982 -3.160 5.777 1.00 0.00 H new ATOM 0 HG SER A 430 -6.662 -4.960 7.202 1.00 0.00 H new ATOM 526 N TYR A 431 -7.506 -2.270 2.881 1.00 0.00 N ATOM 527 CA TYR A 431 -7.247 -1.099 2.051 1.00 0.00 C ATOM 528 C TYR A 431 -7.578 0.185 2.803 1.00 0.00 C ATOM 529 O TYR A 431 -8.613 0.283 3.463 1.00 0.00 O ATOM 530 CB TYR A 431 -8.065 -1.174 0.760 1.00 0.00 C ATOM 531 CG TYR A 431 -7.822 -2.432 -0.042 1.00 0.00 C ATOM 532 CD1 TYR A 431 -6.538 -2.934 -0.208 1.00 0.00 C ATOM 533 CD2 TYR A 431 -8.875 -3.120 -0.629 1.00 0.00 C ATOM 534 CE1 TYR A 431 -6.310 -4.084 -0.940 1.00 0.00 C ATOM 535 CE2 TYR A 431 -8.657 -4.271 -1.362 1.00 0.00 C ATOM 536 CZ TYR A 431 -7.373 -4.749 -1.514 1.00 0.00 C ATOM 537 OH TYR A 431 -7.151 -5.894 -2.242 1.00 0.00 O ATOM 0 H TYR A 431 -8.450 -2.315 3.265 1.00 0.00 H new ATOM 0 HA TYR A 431 -6.186 -1.088 1.801 1.00 0.00 H new ATOM 0 HB2 TYR A 431 -9.125 -1.111 1.008 1.00 0.00 H new ATOM 0 HB3 TYR A 431 -7.830 -0.308 0.141 1.00 0.00 H new ATOM 0 HD1 TYR A 431 -5.704 -2.417 0.242 1.00 0.00 H new ATOM 0 HD2 TYR A 431 -9.882 -2.749 -0.511 1.00 0.00 H new ATOM 0 HE1 TYR A 431 -5.305 -4.460 -1.062 1.00 0.00 H new ATOM 0 HE2 TYR A 431 -9.488 -4.793 -1.813 1.00 0.00 H new ATOM 0 HH TYR A 431 -8.005 -6.239 -2.577 1.00 0.00 H new ATOM 547 N TYR A 432 -6.691 1.170 2.700 1.00 0.00 N ATOM 548 CA TYR A 432 -6.886 2.450 3.369 1.00 0.00 C ATOM 549 C TYR A 432 -6.621 3.608 2.413 1.00 0.00 C ATOM 550 O TYR A 432 -6.226 3.400 1.266 1.00 0.00 O ATOM 551 CB TYR A 432 -5.970 2.558 4.589 1.00 0.00 C ATOM 552 CG TYR A 432 -5.963 1.316 5.452 1.00 0.00 C ATOM 553 CD1 TYR A 432 -5.245 0.188 5.074 1.00 0.00 C ATOM 554 CD2 TYR A 432 -6.672 1.273 6.645 1.00 0.00 C ATOM 555 CE1 TYR A 432 -5.236 -0.949 5.859 1.00 0.00 C ATOM 556 CE2 TYR A 432 -6.669 0.139 7.437 1.00 0.00 C ATOM 557 CZ TYR A 432 -5.949 -0.967 7.040 1.00 0.00 C ATOM 558 OH TYR A 432 -5.942 -2.098 7.825 1.00 0.00 O ATOM 0 H TYR A 432 -5.829 1.105 2.158 1.00 0.00 H new ATOM 0 HA TYR A 432 -7.923 2.505 3.699 1.00 0.00 H new ATOM 0 HB2 TYR A 432 -4.954 2.763 4.253 1.00 0.00 H new ATOM 0 HB3 TYR A 432 -6.283 3.409 5.194 1.00 0.00 H new ATOM 0 HD1 TYR A 432 -4.684 0.200 4.151 1.00 0.00 H new ATOM 0 HD2 TYR A 432 -7.235 2.139 6.960 1.00 0.00 H new ATOM 0 HE1 TYR A 432 -4.674 -1.818 5.550 1.00 0.00 H new ATOM 0 HE2 TYR A 432 -7.228 0.120 8.361 1.00 0.00 H new ATOM 0 HH TYR A 432 -6.492 -1.947 8.622 1.00 0.00 H new ATOM 568 N LYS A 433 -6.838 4.828 2.893 1.00 0.00 N ATOM 569 CA LYS A 433 -6.621 6.018 2.077 1.00 0.00 C ATOM 570 C LYS A 433 -6.401 7.248 2.953 1.00 0.00 C ATOM 571 O LYS A 433 -7.173 7.511 3.874 1.00 0.00 O ATOM 572 CB LYS A 433 -7.811 6.248 1.146 1.00 0.00 C ATOM 573 CG LYS A 433 -9.141 6.365 1.874 1.00 0.00 C ATOM 574 CD LYS A 433 -10.302 5.949 0.987 1.00 0.00 C ATOM 575 CE LYS A 433 -10.938 7.148 0.303 1.00 0.00 C ATOM 576 NZ LYS A 433 -11.652 8.027 1.270 1.00 0.00 N ATOM 0 H LYS A 433 -7.163 5.019 3.841 1.00 0.00 H new ATOM 0 HA LYS A 433 -5.725 5.857 1.477 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -7.640 7.158 0.570 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -7.868 5.425 0.433 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -9.123 5.741 2.768 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -9.286 7.393 2.206 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -9.951 5.243 0.234 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -11.051 5.431 1.586 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -10.168 7.724 -0.210 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -11.638 6.802 -0.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -12.372 8.583 0.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -12.111 7.442 1.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -10.971 8.670 1.722 1.00 0.00 H new ATOM 590 N CYS A 434 -5.343 7.996 2.657 1.00 0.00 N ATOM 591 CA CYS A 434 -5.022 9.200 3.416 1.00 0.00 C ATOM 592 C CYS A 434 -6.097 10.264 3.224 1.00 0.00 C ATOM 593 O CYS A 434 -6.045 11.049 2.275 1.00 0.00 O ATOM 594 CB CYS A 434 -3.659 9.749 2.990 1.00 0.00 C ATOM 595 SG CYS A 434 -2.951 10.946 4.146 1.00 0.00 S ATOM 0 H CYS A 434 -4.694 7.790 1.898 1.00 0.00 H new ATOM 0 HA CYS A 434 -4.983 8.935 4.473 1.00 0.00 H new ATOM 0 HB2 CYS A 434 -2.964 8.917 2.874 1.00 0.00 H new ATOM 0 HB3 CYS A 434 -3.758 10.220 2.012 1.00 0.00 H new ATOM 0 HG CYS A 434 -3.777 11.937 4.304 1.00 0.00 H new ATOM 600 N THR A 435 -7.071 10.284 4.128 1.00 0.00 N ATOM 601 CA THR A 435 -8.160 11.250 4.057 1.00 0.00 C ATOM 602 C THR A 435 -7.846 12.500 4.875 1.00 0.00 C ATOM 603 O THR A 435 -8.480 12.765 5.897 1.00 0.00 O ATOM 604 CB THR A 435 -9.488 10.641 4.552 1.00 0.00 C ATOM 605 OG1 THR A 435 -10.543 11.600 4.426 1.00 0.00 O ATOM 606 CG2 THR A 435 -9.375 10.192 6.002 1.00 0.00 C ATOM 0 H THR A 435 -7.128 9.642 4.918 1.00 0.00 H new ATOM 0 HA THR A 435 -8.267 11.527 3.008 1.00 0.00 H new ATOM 0 HB THR A 435 -9.712 9.770 3.937 1.00 0.00 H new ATOM 0 HG1 THR A 435 -11.383 11.205 4.741 1.00 0.00 H new ATOM 0 HG21 THR A 435 -10.325 9.767 6.326 1.00 0.00 H new ATOM 0 HG22 THR A 435 -8.591 9.439 6.090 1.00 0.00 H new ATOM 0 HG23 THR A 435 -9.128 11.048 6.630 1.00 0.00 H new ATOM 614 N THR A 436 -6.862 13.268 4.416 1.00 0.00 N ATOM 615 CA THR A 436 -6.464 14.490 5.102 1.00 0.00 C ATOM 616 C THR A 436 -7.092 15.715 4.439 1.00 0.00 C ATOM 617 O THR A 436 -7.534 15.651 3.292 1.00 0.00 O ATOM 618 CB THR A 436 -4.930 14.651 5.121 1.00 0.00 C ATOM 619 OG1 THR A 436 -4.308 13.501 4.537 1.00 0.00 O ATOM 620 CG2 THR A 436 -4.419 14.837 6.544 1.00 0.00 C ATOM 0 H THR A 436 -6.327 13.065 3.572 1.00 0.00 H new ATOM 0 HA THR A 436 -6.821 14.413 6.129 1.00 0.00 H new ATOM 0 HB THR A 436 -4.676 15.538 4.541 1.00 0.00 H new ATOM 0 HG1 THR A 436 -3.349 13.670 4.423 1.00 0.00 H new ATOM 0 HG21 THR A 436 -3.335 14.948 6.530 1.00 0.00 H new ATOM 0 HG22 THR A 436 -4.870 15.729 6.979 1.00 0.00 H new ATOM 0 HG23 THR A 436 -4.687 13.967 7.143 1.00 0.00 H new ATOM 628 N PRO A 437 -7.138 16.854 5.154 1.00 0.00 N ATOM 629 CA PRO A 437 -7.717 18.093 4.625 1.00 0.00 C ATOM 630 C PRO A 437 -7.138 18.470 3.267 1.00 0.00 C ATOM 631 O PRO A 437 -6.133 19.177 3.182 1.00 0.00 O ATOM 632 CB PRO A 437 -7.340 19.139 5.677 1.00 0.00 C ATOM 633 CG PRO A 437 -7.177 18.363 6.938 1.00 0.00 C ATOM 634 CD PRO A 437 -6.634 17.020 6.529 1.00 0.00 C ATOM 0 HA PRO A 437 -8.791 18.003 4.460 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -6.419 19.657 5.409 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -8.116 19.898 5.776 1.00 0.00 H new ATOM 0 HG2 PRO A 437 -6.495 18.868 7.622 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -8.129 18.257 7.458 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -5.545 16.999 6.563 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -6.989 16.226 7.186 1.00 0.00 H new ATOM 642 N GLY A 438 -7.779 17.994 2.203 1.00 0.00 N ATOM 643 CA GLY A 438 -7.314 18.290 0.863 1.00 0.00 C ATOM 644 C GLY A 438 -6.558 17.131 0.241 1.00 0.00 C ATOM 645 O GLY A 438 -6.521 16.990 -0.982 1.00 0.00 O ATOM 0 H GLY A 438 -8.613 17.408 2.247 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -8.167 18.543 0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -6.668 19.167 0.892 1.00 0.00 H new ATOM 649 N CYS A 439 -5.952 16.303 1.084 1.00 0.00 N ATOM 650 CA CYS A 439 -5.192 15.152 0.612 1.00 0.00 C ATOM 651 C CYS A 439 -6.109 13.960 0.354 1.00 0.00 C ATOM 652 O CYS A 439 -6.895 13.570 1.216 1.00 0.00 O ATOM 653 CB CYS A 439 -4.120 14.770 1.634 1.00 0.00 C ATOM 654 SG CYS A 439 -2.931 13.545 1.038 1.00 0.00 S ATOM 0 H CYS A 439 -5.972 16.407 2.098 1.00 0.00 H new ATOM 0 HA CYS A 439 -4.711 15.427 -0.327 1.00 0.00 H new ATOM 0 HB2 CYS A 439 -3.580 15.669 1.931 1.00 0.00 H new ATOM 0 HB3 CYS A 439 -4.608 14.381 2.528 1.00 0.00 H new ATOM 0 HG CYS A 439 -2.501 12.835 2.038 1.00 0.00 H new ATOM 659 N GLY A 440 -6.002 13.387 -0.840 1.00 0.00 N ATOM 660 CA GLY A 440 -6.827 12.245 -1.193 1.00 0.00 C ATOM 661 C GLY A 440 -6.010 11.092 -1.744 1.00 0.00 C ATOM 662 O GLY A 440 -6.181 10.696 -2.896 1.00 0.00 O ATOM 0 H GLY A 440 -5.359 13.693 -1.570 1.00 0.00 H new ATOM 0 HA2 GLY A 440 -7.376 11.910 -0.313 1.00 0.00 H new ATOM 0 HA3 GLY A 440 -7.567 12.549 -1.933 1.00 0.00 H new ATOM 666 N VAL A 441 -5.118 10.554 -0.918 1.00 0.00 N ATOM 667 CA VAL A 441 -4.271 9.440 -1.327 1.00 0.00 C ATOM 668 C VAL A 441 -4.899 8.103 -0.946 1.00 0.00 C ATOM 669 O VAL A 441 -5.649 8.011 0.024 1.00 0.00 O ATOM 670 CB VAL A 441 -2.870 9.538 -0.694 1.00 0.00 C ATOM 671 CG1 VAL A 441 -1.952 8.463 -1.256 1.00 0.00 C ATOM 672 CG2 VAL A 441 -2.279 10.922 -0.916 1.00 0.00 C ATOM 0 H VAL A 441 -4.963 10.872 0.039 1.00 0.00 H new ATOM 0 HA VAL A 441 -4.175 9.496 -2.411 1.00 0.00 H new ATOM 0 HB VAL A 441 -2.966 9.376 0.380 1.00 0.00 H new ATOM 0 HG11 VAL A 441 -0.967 8.549 -0.797 1.00 0.00 H new ATOM 0 HG12 VAL A 441 -2.369 7.479 -1.040 1.00 0.00 H new ATOM 0 HG13 VAL A 441 -1.861 8.590 -2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 441 -1.289 10.972 -0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 441 -2.198 11.116 -1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 441 -2.926 11.671 -0.460 1.00 0.00 H new ATOM 682 N ARG A 442 -4.581 7.068 -1.716 1.00 0.00 N ATOM 683 CA ARG A 442 -5.111 5.733 -1.461 1.00 0.00 C ATOM 684 C ARG A 442 -3.990 4.700 -1.429 1.00 0.00 C ATOM 685 O ARG A 442 -3.136 4.668 -2.314 1.00 0.00 O ATOM 686 CB ARG A 442 -6.139 5.356 -2.531 1.00 0.00 C ATOM 687 CG ARG A 442 -7.216 6.408 -2.736 1.00 0.00 C ATOM 688 CD ARG A 442 -8.605 5.787 -2.774 1.00 0.00 C ATOM 689 NE ARG A 442 -8.748 4.834 -3.873 1.00 0.00 N ATOM 690 CZ ARG A 442 -9.921 4.422 -4.347 1.00 0.00 C ATOM 691 NH1 ARG A 442 -11.053 4.877 -3.824 1.00 0.00 N ATOM 692 NH2 ARG A 442 -9.962 3.552 -5.348 1.00 0.00 N ATOM 0 H ARG A 442 -3.959 7.128 -2.522 1.00 0.00 H new ATOM 0 HA ARG A 442 -5.599 5.743 -0.486 1.00 0.00 H new ATOM 0 HB2 ARG A 442 -5.623 5.188 -3.476 1.00 0.00 H new ATOM 0 HB3 ARG A 442 -6.611 4.414 -2.253 1.00 0.00 H new ATOM 0 HG2 ARG A 442 -7.167 7.142 -1.931 1.00 0.00 H new ATOM 0 HG3 ARG A 442 -7.030 6.943 -3.667 1.00 0.00 H new ATOM 0 HD2 ARG A 442 -8.803 5.282 -1.828 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -9.352 6.574 -2.877 1.00 0.00 H new ATOM 0 HE ARG A 442 -7.900 4.463 -4.301 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -11.027 5.546 -3.055 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -11.949 4.558 -4.192 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -9.095 3.200 -5.753 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -10.861 3.235 -5.712 1.00 0.00 H new ATOM 706 N LYS A 443 -3.999 3.855 -0.403 1.00 0.00 N ATOM 707 CA LYS A 443 -2.982 2.820 -0.255 1.00 0.00 C ATOM 708 C LYS A 443 -3.624 1.441 -0.126 1.00 0.00 C ATOM 709 O LYS A 443 -4.777 1.320 0.290 1.00 0.00 O ATOM 710 CB LYS A 443 -2.108 3.105 0.966 1.00 0.00 C ATOM 711 CG LYS A 443 -2.866 3.053 2.283 1.00 0.00 C ATOM 712 CD LYS A 443 -1.924 3.163 3.471 1.00 0.00 C ATOM 713 CE LYS A 443 -2.445 2.382 4.668 1.00 0.00 C ATOM 714 NZ LYS A 443 -1.350 2.004 5.605 1.00 0.00 N ATOM 0 H LYS A 443 -4.699 3.867 0.338 1.00 0.00 H new ATOM 0 HA LYS A 443 -2.358 2.828 -1.149 1.00 0.00 H new ATOM 0 HB2 LYS A 443 -1.294 2.381 0.996 1.00 0.00 H new ATOM 0 HB3 LYS A 443 -1.655 4.090 0.856 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -3.594 3.864 2.318 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -3.425 2.120 2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -0.939 2.789 3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -1.802 4.211 3.744 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -3.185 2.981 5.198 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -2.953 1.482 4.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -1.747 1.473 6.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 -0.656 1.411 5.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -0.882 2.864 5.956 1.00 0.00 H new ATOM 728 N HIS A 444 -2.871 0.408 -0.484 1.00 0.00 N ATOM 729 CA HIS A 444 -3.366 -0.961 -0.408 1.00 0.00 C ATOM 730 C HIS A 444 -2.360 -1.865 0.296 1.00 0.00 C ATOM 731 O HIS A 444 -1.305 -2.184 -0.254 1.00 0.00 O ATOM 732 CB HIS A 444 -3.659 -1.499 -1.811 1.00 0.00 C ATOM 733 CG HIS A 444 -4.567 -0.617 -2.610 1.00 0.00 C ATOM 734 ND1 HIS A 444 -4.118 0.214 -3.616 1.00 0.00 N ATOM 735 CD2 HIS A 444 -5.909 -0.440 -2.550 1.00 0.00 C ATOM 736 CE1 HIS A 444 -5.143 0.865 -4.136 1.00 0.00 C ATOM 737 NE2 HIS A 444 -6.239 0.486 -3.508 1.00 0.00 N ATOM 0 H HIS A 444 -1.915 0.492 -0.830 1.00 0.00 H new ATOM 0 HA HIS A 444 -4.289 -0.955 0.171 1.00 0.00 H new ATOM 0 HB2 HIS A 444 -2.719 -1.621 -2.348 1.00 0.00 H new ATOM 0 HB3 HIS A 444 -4.109 -2.488 -1.726 1.00 0.00 H new ATOM 0 HD2 HIS A 444 -6.591 -0.935 -1.875 1.00 0.00 H new ATOM 0 HE1 HIS A 444 -5.092 1.585 -4.939 1.00 0.00 H new ATOM 0 HE2 HIS A 444 -7.181 0.826 -3.703 1.00 0.00 H new ATOM 746 N VAL A 445 -2.692 -2.274 1.517 1.00 0.00 N ATOM 747 CA VAL A 445 -1.817 -3.141 2.297 1.00 0.00 C ATOM 748 C VAL A 445 -2.226 -4.604 2.158 1.00 0.00 C ATOM 749 O VAL A 445 -3.299 -5.003 2.609 1.00 0.00 O ATOM 750 CB VAL A 445 -1.830 -2.757 3.787 1.00 0.00 C ATOM 751 CG1 VAL A 445 -0.767 -3.534 4.550 1.00 0.00 C ATOM 752 CG2 VAL A 445 -1.626 -1.258 3.954 1.00 0.00 C ATOM 0 H VAL A 445 -3.561 -2.019 1.987 1.00 0.00 H new ATOM 0 HA VAL A 445 -0.809 -3.009 1.904 1.00 0.00 H new ATOM 0 HB VAL A 445 -2.804 -3.017 4.201 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -0.792 -3.248 5.602 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -0.962 -4.603 4.459 1.00 0.00 H new ATOM 0 HG13 VAL A 445 0.216 -3.308 4.136 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -1.638 -1.005 5.014 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -0.667 -0.971 3.523 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -2.427 -0.723 3.444 1.00 0.00 H new ATOM 762 N GLU A 446 -1.364 -5.397 1.529 1.00 0.00 N ATOM 763 CA GLU A 446 -1.636 -6.816 1.332 1.00 0.00 C ATOM 764 C GLU A 446 -0.457 -7.665 1.791 1.00 0.00 C ATOM 765 O GLU A 446 0.701 -7.276 1.634 1.00 0.00 O ATOM 766 CB GLU A 446 -1.938 -7.098 -0.141 1.00 0.00 C ATOM 767 CG GLU A 446 -2.958 -6.146 -0.747 1.00 0.00 C ATOM 768 CD GLU A 446 -2.344 -5.199 -1.760 1.00 0.00 C ATOM 769 OE1 GLU A 446 -1.146 -4.875 -1.619 1.00 0.00 O ATOM 770 OE2 GLU A 446 -3.060 -4.785 -2.694 1.00 0.00 O ATOM 0 H GLU A 446 -0.472 -5.081 1.148 1.00 0.00 H new ATOM 0 HA GLU A 446 -2.506 -7.080 1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 446 -1.011 -7.035 -0.712 1.00 0.00 H new ATOM 0 HB3 GLU A 446 -2.304 -8.120 -0.239 1.00 0.00 H new ATOM 0 HG2 GLU A 446 -3.748 -6.724 -1.228 1.00 0.00 H new ATOM 0 HG3 GLU A 446 -3.426 -5.567 0.049 1.00 0.00 H new ATOM 777 N ARG A 447 -0.758 -8.827 2.364 1.00 0.00 N ATOM 778 CA ARG A 447 0.278 -9.732 2.847 1.00 0.00 C ATOM 779 C ARG A 447 0.191 -11.083 2.145 1.00 0.00 C ATOM 780 O ARG A 447 -0.725 -11.866 2.392 1.00 0.00 O ATOM 781 CB ARG A 447 0.153 -9.919 4.363 1.00 0.00 C ATOM 782 CG ARG A 447 1.415 -9.555 5.127 1.00 0.00 C ATOM 783 CD ARG A 447 1.132 -9.346 6.606 1.00 0.00 C ATOM 784 NE ARG A 447 2.097 -8.442 7.226 1.00 0.00 N ATOM 785 CZ ARG A 447 2.049 -7.116 7.113 1.00 0.00 C ATOM 786 NH1 ARG A 447 1.087 -6.537 6.405 1.00 0.00 N ATOM 787 NH2 ARG A 447 2.966 -6.368 7.711 1.00 0.00 N ATOM 0 H ARG A 447 -1.711 -9.163 2.505 1.00 0.00 H new ATOM 0 HA ARG A 447 1.248 -9.290 2.621 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -0.672 -9.308 4.729 1.00 0.00 H new ATOM 0 HB3 ARG A 447 -0.102 -10.958 4.573 1.00 0.00 H new ATOM 0 HG2 ARG A 447 2.155 -10.346 5.006 1.00 0.00 H new ATOM 0 HG3 ARG A 447 1.847 -8.647 4.706 1.00 0.00 H new ATOM 0 HD2 ARG A 447 0.127 -8.943 6.729 1.00 0.00 H new ATOM 0 HD3 ARG A 447 1.155 -10.308 7.119 1.00 0.00 H new ATOM 0 HE ARG A 447 2.852 -8.850 7.778 1.00 0.00 H new ATOM 0 HH11 ARG A 447 0.379 -7.108 5.944 1.00 0.00 H new ATOM 0 HH12 ARG A 447 1.056 -5.521 6.322 1.00 0.00 H new ATOM 0 HH21 ARG A 447 3.707 -6.808 8.257 1.00 0.00 H new ATOM 0 HH22 ARG A 447 2.931 -5.352 7.625 1.00 0.00 H new ATOM 801 N ALA A 448 1.151 -11.349 1.265 1.00 0.00 N ATOM 802 CA ALA A 448 1.183 -12.605 0.524 1.00 0.00 C ATOM 803 C ALA A 448 1.642 -13.756 1.414 1.00 0.00 C ATOM 804 O ALA A 448 2.651 -13.651 2.111 1.00 0.00 O ATOM 805 CB ALA A 448 2.090 -12.478 -0.691 1.00 0.00 C ATOM 0 H ALA A 448 1.917 -10.712 1.048 1.00 0.00 H new ATOM 0 HA ALA A 448 0.171 -12.825 0.185 1.00 0.00 H new ATOM 0 HB1 ALA A 448 2.104 -13.423 -1.235 1.00 0.00 H new ATOM 0 HB2 ALA A 448 1.716 -11.689 -1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 448 3.101 -12.231 -0.366 1.00 0.00 H new ATOM 811 N ALA A 449 0.892 -14.853 1.385 1.00 0.00 N ATOM 812 CA ALA A 449 1.218 -16.026 2.188 1.00 0.00 C ATOM 813 C ALA A 449 2.182 -16.953 1.452 1.00 0.00 C ATOM 814 O ALA A 449 2.883 -17.752 2.073 1.00 0.00 O ATOM 815 CB ALA A 449 -0.051 -16.774 2.564 1.00 0.00 C ATOM 0 H ALA A 449 0.053 -14.954 0.813 1.00 0.00 H new ATOM 0 HA ALA A 449 1.712 -15.684 3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 449 0.206 -17.648 3.163 1.00 0.00 H new ATOM 0 HB2 ALA A 449 -0.703 -16.118 3.140 1.00 0.00 H new ATOM 0 HB3 ALA A 449 -0.567 -17.094 1.659 1.00 0.00 H new ATOM 821 N THR A 450 2.214 -16.843 0.125 1.00 0.00 N ATOM 822 CA THR A 450 3.092 -17.675 -0.692 1.00 0.00 C ATOM 823 C THR A 450 4.530 -17.628 -0.182 1.00 0.00 C ATOM 824 O THR A 450 5.225 -18.643 -0.161 1.00 0.00 O ATOM 825 CB THR A 450 3.068 -17.237 -2.168 1.00 0.00 C ATOM 826 OG1 THR A 450 2.847 -15.824 -2.256 1.00 0.00 O ATOM 827 CG2 THR A 450 1.979 -17.973 -2.933 1.00 0.00 C ATOM 0 H THR A 450 1.642 -16.186 -0.406 1.00 0.00 H new ATOM 0 HA THR A 450 2.717 -18.696 -0.617 1.00 0.00 H new ATOM 0 HB THR A 450 4.032 -17.483 -2.613 1.00 0.00 H new ATOM 0 HG1 THR A 450 2.835 -15.553 -3.198 1.00 0.00 H new ATOM 0 HG21 THR A 450 1.981 -17.647 -3.973 1.00 0.00 H new ATOM 0 HG22 THR A 450 2.165 -19.046 -2.889 1.00 0.00 H new ATOM 0 HG23 THR A 450 1.009 -17.754 -2.486 1.00 0.00 H new ATOM 835 N ASP A 451 4.968 -16.443 0.227 1.00 0.00 N ATOM 836 CA ASP A 451 6.321 -16.263 0.738 1.00 0.00 C ATOM 837 C ASP A 451 6.325 -16.236 2.266 1.00 0.00 C ATOM 838 O ASP A 451 5.292 -15.999 2.892 1.00 0.00 O ATOM 839 CB ASP A 451 6.929 -14.968 0.189 1.00 0.00 C ATOM 840 CG ASP A 451 8.153 -15.221 -0.668 1.00 0.00 C ATOM 841 OD1 ASP A 451 8.802 -16.272 -0.481 1.00 0.00 O ATOM 842 OD2 ASP A 451 8.465 -14.368 -1.525 1.00 0.00 O ATOM 0 H ASP A 451 4.405 -15.592 0.215 1.00 0.00 H new ATOM 0 HA ASP A 451 6.925 -17.107 0.406 1.00 0.00 H new ATOM 0 HB2 ASP A 451 6.180 -14.439 -0.400 1.00 0.00 H new ATOM 0 HB3 ASP A 451 7.199 -14.316 1.020 1.00 0.00 H new ATOM 847 N PRO A 452 7.491 -16.481 2.888 1.00 0.00 N ATOM 848 CA PRO A 452 7.622 -16.484 4.348 1.00 0.00 C ATOM 849 C PRO A 452 7.020 -15.237 4.987 1.00 0.00 C ATOM 850 O PRO A 452 6.595 -15.260 6.142 1.00 0.00 O ATOM 851 CB PRO A 452 9.135 -16.522 4.568 1.00 0.00 C ATOM 852 CG PRO A 452 9.675 -17.184 3.350 1.00 0.00 C ATOM 853 CD PRO A 452 8.773 -16.773 2.217 1.00 0.00 C ATOM 0 HA PRO A 452 7.091 -17.320 4.803 1.00 0.00 H new ATOM 0 HB2 PRO A 452 9.543 -15.519 4.688 1.00 0.00 H new ATOM 0 HB3 PRO A 452 9.391 -17.080 5.469 1.00 0.00 H new ATOM 0 HG2 PRO A 452 10.703 -16.875 3.162 1.00 0.00 H new ATOM 0 HG3 PRO A 452 9.685 -18.268 3.467 1.00 0.00 H new ATOM 0 HD2 PRO A 452 9.160 -15.899 1.692 1.00 0.00 H new ATOM 0 HD3 PRO A 452 8.668 -17.568 1.479 1.00 0.00 H new ATOM 861 N LYS A 453 6.987 -14.146 4.226 1.00 0.00 N ATOM 862 CA LYS A 453 6.436 -12.888 4.715 1.00 0.00 C ATOM 863 C LYS A 453 6.458 -11.825 3.622 1.00 0.00 C ATOM 864 O LYS A 453 7.312 -10.938 3.620 1.00 0.00 O ATOM 865 CB LYS A 453 7.224 -12.401 5.933 1.00 0.00 C ATOM 866 CG LYS A 453 6.655 -11.138 6.561 1.00 0.00 C ATOM 867 CD LYS A 453 7.748 -10.282 7.178 1.00 0.00 C ATOM 868 CE LYS A 453 7.211 -8.929 7.620 1.00 0.00 C ATOM 869 NZ LYS A 453 8.193 -8.189 8.460 1.00 0.00 N ATOM 0 H LYS A 453 7.336 -14.109 3.268 1.00 0.00 H new ATOM 0 HA LYS A 453 5.400 -13.062 5.007 1.00 0.00 H new ATOM 0 HB2 LYS A 453 7.244 -13.192 6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 453 8.257 -12.216 5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 453 6.124 -10.561 5.804 1.00 0.00 H new ATOM 0 HG3 LYS A 453 5.927 -11.407 7.326 1.00 0.00 H new ATOM 0 HD2 LYS A 453 8.179 -10.801 8.034 1.00 0.00 H new ATOM 0 HD3 LYS A 453 8.551 -10.138 6.455 1.00 0.00 H new ATOM 0 HE2 LYS A 453 6.962 -8.333 6.742 1.00 0.00 H new ATOM 0 HE3 LYS A 453 6.287 -9.071 8.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 7.789 -7.273 8.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 8.411 -8.746 9.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 9.065 -8.031 7.916 1.00 0.00 H new ATOM 883 N ALA A 454 5.513 -11.921 2.691 1.00 0.00 N ATOM 884 CA ALA A 454 5.425 -10.967 1.592 1.00 0.00 C ATOM 885 C ALA A 454 4.497 -9.810 1.943 1.00 0.00 C ATOM 886 O ALA A 454 3.280 -9.979 2.019 1.00 0.00 O ATOM 887 CB ALA A 454 4.952 -11.667 0.325 1.00 0.00 C ATOM 0 H ALA A 454 4.799 -12.649 2.676 1.00 0.00 H new ATOM 0 HA ALA A 454 6.419 -10.556 1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 454 4.890 -10.944 -0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 454 5.658 -12.454 0.059 1.00 0.00 H new ATOM 0 HB3 ALA A 454 3.969 -12.105 0.497 1.00 0.00 H new ATOM 893 N VAL A 455 5.079 -8.634 2.155 1.00 0.00 N ATOM 894 CA VAL A 455 4.304 -7.447 2.497 1.00 0.00 C ATOM 895 C VAL A 455 4.406 -6.390 1.403 1.00 0.00 C ATOM 896 O VAL A 455 5.287 -5.531 1.437 1.00 0.00 O ATOM 897 CB VAL A 455 4.773 -6.836 3.831 1.00 0.00 C ATOM 898 CG1 VAL A 455 3.832 -5.726 4.270 1.00 0.00 C ATOM 899 CG2 VAL A 455 4.878 -7.912 4.903 1.00 0.00 C ATOM 0 H VAL A 455 6.085 -8.478 2.096 1.00 0.00 H new ATOM 0 HA VAL A 455 3.266 -7.764 2.596 1.00 0.00 H new ATOM 0 HB VAL A 455 5.763 -6.404 3.684 1.00 0.00 H new ATOM 0 HG11 VAL A 455 4.180 -5.307 5.214 1.00 0.00 H new ATOM 0 HG12 VAL A 455 3.812 -4.944 3.511 1.00 0.00 H new ATOM 0 HG13 VAL A 455 2.828 -6.130 4.400 1.00 0.00 H new ATOM 0 HG21 VAL A 455 5.211 -7.462 5.839 1.00 0.00 H new ATOM 0 HG22 VAL A 455 3.903 -8.376 5.050 1.00 0.00 H new ATOM 0 HG23 VAL A 455 5.596 -8.669 4.589 1.00 0.00 H new ATOM 909 N VAL A 456 3.500 -6.460 0.435 1.00 0.00 N ATOM 910 CA VAL A 456 3.489 -5.509 -0.671 1.00 0.00 C ATOM 911 C VAL A 456 2.459 -4.408 -0.437 1.00 0.00 C ATOM 912 O VAL A 456 1.299 -4.683 -0.126 1.00 0.00 O ATOM 913 CB VAL A 456 3.188 -6.208 -2.012 1.00 0.00 C ATOM 914 CG1 VAL A 456 1.805 -6.847 -1.990 1.00 0.00 C ATOM 915 CG2 VAL A 456 3.312 -5.226 -3.167 1.00 0.00 C ATOM 0 H VAL A 456 2.764 -7.165 0.393 1.00 0.00 H new ATOM 0 HA VAL A 456 4.484 -5.067 -0.719 1.00 0.00 H new ATOM 0 HB VAL A 456 3.923 -7.000 -2.157 1.00 0.00 H new ATOM 0 HG11 VAL A 456 1.614 -7.334 -2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 456 1.758 -7.586 -1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 456 1.052 -6.078 -1.818 1.00 0.00 H new ATOM 0 HG21 VAL A 456 3.096 -5.738 -4.105 1.00 0.00 H new ATOM 0 HG22 VAL A 456 2.604 -4.409 -3.028 1.00 0.00 H new ATOM 0 HG23 VAL A 456 4.325 -4.826 -3.197 1.00 0.00 H new ATOM 925 N THR A 457 2.890 -3.160 -0.588 1.00 0.00 N ATOM 926 CA THR A 457 2.006 -2.017 -0.394 1.00 0.00 C ATOM 927 C THR A 457 2.065 -1.067 -1.587 1.00 0.00 C ATOM 928 O THR A 457 3.137 -0.801 -2.128 1.00 0.00 O ATOM 929 CB THR A 457 2.368 -1.237 0.885 1.00 0.00 C ATOM 930 OG1 THR A 457 2.516 -2.143 1.985 1.00 0.00 O ATOM 931 CG2 THR A 457 1.298 -0.206 1.213 1.00 0.00 C ATOM 0 H THR A 457 3.846 -2.915 -0.844 1.00 0.00 H new ATOM 0 HA THR A 457 0.995 -2.413 -0.296 1.00 0.00 H new ATOM 0 HB THR A 457 3.310 -0.717 0.712 1.00 0.00 H new ATOM 0 HG1 THR A 457 2.748 -1.640 2.794 1.00 0.00 H new ATOM 0 HG21 THR A 457 1.576 0.331 2.120 1.00 0.00 H new ATOM 0 HG22 THR A 457 1.207 0.499 0.387 1.00 0.00 H new ATOM 0 HG23 THR A 457 0.343 -0.709 1.368 1.00 0.00 H new ATOM 939 N THR A 458 0.904 -0.561 -1.990 1.00 0.00 N ATOM 940 CA THR A 458 0.824 0.358 -3.120 1.00 0.00 C ATOM 941 C THR A 458 0.421 1.756 -2.663 1.00 0.00 C ATOM 942 O THR A 458 -0.285 1.915 -1.667 1.00 0.00 O ATOM 943 CB THR A 458 -0.183 -0.135 -4.175 1.00 0.00 C ATOM 944 OG1 THR A 458 -0.096 -1.558 -4.310 1.00 0.00 O ATOM 945 CG2 THR A 458 0.078 0.523 -5.521 1.00 0.00 C ATOM 0 H THR A 458 0.007 -0.771 -1.552 1.00 0.00 H new ATOM 0 HA THR A 458 1.817 0.397 -3.567 1.00 0.00 H new ATOM 0 HB THR A 458 -1.185 0.137 -3.843 1.00 0.00 H new ATOM 0 HG1 THR A 458 -0.741 -1.863 -4.982 1.00 0.00 H new ATOM 0 HG21 THR A 458 -0.646 0.159 -6.250 1.00 0.00 H new ATOM 0 HG22 THR A 458 -0.019 1.604 -5.422 1.00 0.00 H new ATOM 0 HG23 THR A 458 1.086 0.278 -5.857 1.00 0.00 H new ATOM 953 N TYR A 459 0.875 2.766 -3.398 1.00 0.00 N ATOM 954 CA TYR A 459 0.562 4.152 -3.068 1.00 0.00 C ATOM 955 C TYR A 459 0.198 4.940 -4.322 1.00 0.00 C ATOM 956 O TYR A 459 0.981 5.017 -5.269 1.00 0.00 O ATOM 957 CB TYR A 459 1.747 4.812 -2.363 1.00 0.00 C ATOM 958 CG TYR A 459 1.866 4.444 -0.902 1.00 0.00 C ATOM 959 CD1 TYR A 459 1.193 5.167 0.073 1.00 0.00 C ATOM 960 CD2 TYR A 459 2.651 3.369 -0.498 1.00 0.00 C ATOM 961 CE1 TYR A 459 1.300 4.834 1.410 1.00 0.00 C ATOM 962 CE2 TYR A 459 2.762 3.030 0.837 1.00 0.00 C ATOM 963 CZ TYR A 459 2.084 3.764 1.787 1.00 0.00 C ATOM 964 OH TYR A 459 2.191 3.429 3.118 1.00 0.00 O ATOM 0 H TYR A 459 1.460 2.651 -4.225 1.00 0.00 H new ATOM 0 HA TYR A 459 -0.297 4.154 -2.397 1.00 0.00 H new ATOM 0 HB2 TYR A 459 2.667 4.530 -2.876 1.00 0.00 H new ATOM 0 HB3 TYR A 459 1.653 5.894 -2.449 1.00 0.00 H new ATOM 0 HD1 TYR A 459 0.575 6.004 -0.218 1.00 0.00 H new ATOM 0 HD2 TYR A 459 3.182 2.790 -1.239 1.00 0.00 H new ATOM 0 HE1 TYR A 459 0.772 5.409 2.156 1.00 0.00 H new ATOM 0 HE2 TYR A 459 3.377 2.194 1.135 1.00 0.00 H new ATOM 0 HH TYR A 459 2.780 2.651 3.213 1.00 0.00 H new ATOM 974 N GLU A 460 -0.996 5.524 -4.322 1.00 0.00 N ATOM 975 CA GLU A 460 -1.464 6.308 -5.460 1.00 0.00 C ATOM 976 C GLU A 460 -1.739 7.751 -5.050 1.00 0.00 C ATOM 977 O GLU A 460 -2.769 8.050 -4.445 1.00 0.00 O ATOM 978 CB GLU A 460 -2.729 5.683 -6.050 1.00 0.00 C ATOM 979 CG GLU A 460 -2.453 4.659 -7.138 1.00 0.00 C ATOM 980 CD GLU A 460 -3.379 4.808 -8.329 1.00 0.00 C ATOM 981 OE1 GLU A 460 -4.507 5.313 -8.145 1.00 0.00 O ATOM 982 OE2 GLU A 460 -2.978 4.419 -9.447 1.00 0.00 O ATOM 0 H GLU A 460 -1.657 5.469 -3.547 1.00 0.00 H new ATOM 0 HA GLU A 460 -0.680 6.308 -6.217 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -3.296 5.206 -5.250 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -3.358 6.474 -6.459 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -1.420 4.758 -7.471 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -2.559 3.657 -6.723 1.00 0.00 H new ATOM 989 N GLY A 461 -0.811 8.642 -5.384 1.00 0.00 N ATOM 990 CA GLY A 461 -0.972 10.044 -5.044 1.00 0.00 C ATOM 991 C GLY A 461 0.044 10.513 -4.020 1.00 0.00 C ATOM 992 O GLY A 461 0.314 9.819 -3.040 1.00 0.00 O ATOM 0 H GLY A 461 0.049 8.418 -5.884 1.00 0.00 H new ATOM 0 HA2 GLY A 461 -0.878 10.647 -5.947 1.00 0.00 H new ATOM 0 HA3 GLY A 461 -1.977 10.207 -4.655 1.00 0.00 H new ATOM 996 N LYS A 462 0.609 11.693 -4.249 1.00 0.00 N ATOM 997 CA LYS A 462 1.601 12.255 -3.340 1.00 0.00 C ATOM 998 C LYS A 462 0.934 13.109 -2.268 1.00 0.00 C ATOM 999 O LYS A 462 -0.167 13.625 -2.466 1.00 0.00 O ATOM 1000 CB LYS A 462 2.617 13.095 -4.116 1.00 0.00 C ATOM 1001 CG LYS A 462 3.359 12.314 -5.190 1.00 0.00 C ATOM 1002 CD LYS A 462 4.652 13.005 -5.587 1.00 0.00 C ATOM 1003 CE LYS A 462 4.382 14.300 -6.338 1.00 0.00 C ATOM 1004 NZ LYS A 462 3.958 14.051 -7.742 1.00 0.00 N ATOM 0 H LYS A 462 0.397 12.279 -5.056 1.00 0.00 H new ATOM 0 HA LYS A 462 2.119 11.429 -2.852 1.00 0.00 H new ATOM 0 HB2 LYS A 462 2.102 13.936 -4.581 1.00 0.00 H new ATOM 0 HB3 LYS A 462 3.341 13.512 -3.416 1.00 0.00 H new ATOM 0 HG2 LYS A 462 3.579 11.310 -4.826 1.00 0.00 H new ATOM 0 HG3 LYS A 462 2.721 12.202 -6.067 1.00 0.00 H new ATOM 0 HD2 LYS A 462 5.242 13.216 -4.695 1.00 0.00 H new ATOM 0 HD3 LYS A 462 5.246 12.338 -6.211 1.00 0.00 H new ATOM 0 HE2 LYS A 462 3.607 14.865 -5.820 1.00 0.00 H new ATOM 0 HE3 LYS A 462 5.281 14.916 -6.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 3.801 14.959 -8.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 4.700 13.519 -8.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 3.076 13.500 -7.746 1.00 0.00 H new ATOM 1018 N HIS A 463 1.606 13.255 -1.130 1.00 0.00 N ATOM 1019 CA HIS A 463 1.078 14.047 -0.026 1.00 0.00 C ATOM 1020 C HIS A 463 1.406 15.525 -0.210 1.00 0.00 C ATOM 1021 O HIS A 463 2.539 15.884 -0.530 1.00 0.00 O ATOM 1022 CB HIS A 463 1.645 13.548 1.304 1.00 0.00 C ATOM 1023 CG HIS A 463 1.327 12.113 1.590 1.00 0.00 C ATOM 1024 ND1 HIS A 463 0.150 11.706 2.181 1.00 0.00 N ATOM 1025 CD2 HIS A 463 2.040 10.985 1.361 1.00 0.00 C ATOM 1026 CE1 HIS A 463 0.152 10.392 2.306 1.00 0.00 C ATOM 1027 NE2 HIS A 463 1.287 9.930 1.815 1.00 0.00 N ATOM 0 H HIS A 463 2.518 12.835 -0.949 1.00 0.00 H new ATOM 0 HA HIS A 463 -0.006 13.933 -0.016 1.00 0.00 H new ATOM 0 HB2 HIS A 463 2.727 13.678 1.300 1.00 0.00 H new ATOM 0 HB3 HIS A 463 1.253 14.166 2.112 1.00 0.00 H new ATOM 0 HD2 HIS A 463 3.018 10.926 0.906 1.00 0.00 H new ATOM 0 HE1 HIS A 463 -0.640 9.797 2.736 1.00 0.00 H new ATOM 0 HE2 HIS A 463 1.561 8.948 1.779 1.00 0.00 H new ATOM 1035 N ASN A 464 0.407 16.377 -0.007 1.00 0.00 N ATOM 1036 CA ASN A 464 0.590 17.817 -0.150 1.00 0.00 C ATOM 1037 C ASN A 464 0.208 18.545 1.135 1.00 0.00 C ATOM 1038 O ASN A 464 -0.300 19.666 1.096 1.00 0.00 O ATOM 1039 CB ASN A 464 -0.249 18.343 -1.316 1.00 0.00 C ATOM 1040 CG ASN A 464 -1.693 17.890 -1.242 1.00 0.00 C ATOM 1041 OD1 ASN A 464 -1.979 16.693 -1.210 1.00 0.00 O ATOM 1042 ND2 ASN A 464 -2.614 18.846 -1.213 1.00 0.00 N ATOM 0 H ASN A 464 -0.537 16.096 0.257 1.00 0.00 H new ATOM 0 HA ASN A 464 1.644 18.006 -0.353 1.00 0.00 H new ATOM 0 HB2 ASN A 464 -0.213 19.432 -1.323 1.00 0.00 H new ATOM 0 HB3 ASN A 464 0.187 18.004 -2.256 1.00 0.00 H new ATOM 0 HD21 ASN A 464 -3.603 18.600 -1.162 1.00 0.00 H new ATOM 0 HD22 ASN A 464 -2.333 19.826 -1.241 1.00 0.00 H new ATOM 1049 N HIS A 465 0.458 17.902 2.271 1.00 0.00 N ATOM 1050 CA HIS A 465 0.141 18.490 3.567 1.00 0.00 C ATOM 1051 C HIS A 465 1.288 18.290 4.552 1.00 0.00 C ATOM 1052 O HIS A 465 2.116 17.394 4.384 1.00 0.00 O ATOM 1053 CB HIS A 465 -1.142 17.876 4.130 1.00 0.00 C ATOM 1054 CG HIS A 465 -1.049 16.401 4.367 1.00 0.00 C ATOM 1055 ND1 HIS A 465 -0.597 15.855 5.550 1.00 0.00 N ATOM 1056 CD2 HIS A 465 -1.358 15.354 3.565 1.00 0.00 C ATOM 1057 CE1 HIS A 465 -0.632 14.537 5.467 1.00 0.00 C ATOM 1058 NE2 HIS A 465 -1.091 14.207 4.275 1.00 0.00 N ATOM 0 H HIS A 465 0.879 16.974 2.320 1.00 0.00 H new ATOM 0 HA HIS A 465 -0.009 19.560 3.424 1.00 0.00 H new ATOM 0 HB2 HIS A 465 -1.390 18.371 5.069 1.00 0.00 H new ATOM 0 HB3 HIS A 465 -1.962 18.073 3.440 1.00 0.00 H new ATOM 0 HD2 HIS A 465 -1.742 15.410 2.557 1.00 0.00 H new ATOM 0 HE1 HIS A 465 -0.335 13.847 6.243 1.00 0.00 H new ATOM 0 HE2 HIS A 465 -1.226 13.255 3.935 1.00 0.00 H new