USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=18 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 -64:sc= 0.362 USER MOD Set 1.2: A 436 THR OG1 : rot 172:sc= 1.12 USER MOD Set 1.3: A 439 CYS SG : rot 33:sc= -4.29! USER MOD Set 1.4: A 463 HIS : no HD1:sc= -0.929 K(o=-4.3,f=-5.6!) USER MOD Set 1.5: A 465 HIS : no HD1:sc= -0.593 K(o=-4.3,f=-7.2) 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 USER MOD Single : A 419 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 420 LYS NZ :NH3+ -152:sc= -0.0717 (180deg=-0.605) USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 ASN : amide:sc= -3.45 K(o=-3.4,f=-5.4!) USER MOD Single : A 427 TYR OH : rot 180:sc= 0 USER MOD Single : A 430 SER OG : rot 180:sc= -0.829 USER MOD Single : A 431 TYR OH : rot -130:sc= -0.775 USER MOD Single : A 432 TYR OH : rot 180:sc= 0 USER MOD Single : A 433 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00319) USER MOD Single : A 435 THR OG1 : rot 180:sc= 0 USER MOD Single : A 443 LYS NZ :NH3+ 160:sc= 0.00328 (180deg=0) USER MOD Single : A 444 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 450 THR OG1 : rot 180:sc= 0.0314 USER MOD Single : A 453 LYS NZ :NH3+ 174:sc= 0.0906 (180deg=0.0813) 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 -150:sc= 0.00195 USER MOD Single : A 462 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 464 ASN : amide:sc= -1.77 K(o=-1.8,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 185 N TYR A 412 1.011 10.883 8.850 1.00 0.00 N ATOM 186 CA TYR A 412 -0.209 11.061 8.071 1.00 0.00 C ATOM 187 C TYR A 412 -1.404 10.434 8.783 1.00 0.00 C ATOM 188 O TYR A 412 -1.242 9.599 9.672 1.00 0.00 O ATOM 189 CB TYR A 412 -0.047 10.441 6.681 1.00 0.00 C ATOM 190 CG TYR A 412 1.089 11.037 5.881 1.00 0.00 C ATOM 191 CD1 TYR A 412 1.289 12.410 5.838 1.00 0.00 C ATOM 192 CD2 TYR A 412 1.962 10.224 5.169 1.00 0.00 C ATOM 193 CE1 TYR A 412 2.326 12.959 5.108 1.00 0.00 C ATOM 194 CE2 TYR A 412 3.002 10.764 4.437 1.00 0.00 C ATOM 195 CZ TYR A 412 3.180 12.131 4.409 1.00 0.00 C ATOM 196 OH TYR A 412 4.213 12.673 3.680 1.00 0.00 O ATOM 0 HA TYR A 412 -0.391 12.131 7.965 1.00 0.00 H new ATOM 0 HB2 TYR A 412 0.118 9.369 6.788 1.00 0.00 H new ATOM 0 HB3 TYR A 412 -0.976 10.567 6.126 1.00 0.00 H new ATOM 0 HD1 TYR A 412 0.622 13.061 6.385 1.00 0.00 H new ATOM 0 HD2 TYR A 412 1.826 9.153 5.188 1.00 0.00 H new ATOM 0 HE1 TYR A 412 2.467 14.029 5.085 1.00 0.00 H new ATOM 0 HE2 TYR A 412 3.672 10.118 3.889 1.00 0.00 H new ATOM 0 HH TYR A 412 4.721 11.955 3.248 1.00 0.00 H new ATOM 206 N ARG A 413 -2.605 10.843 8.385 1.00 0.00 N ATOM 207 CA ARG A 413 -3.828 10.322 8.985 1.00 0.00 C ATOM 208 C ARG A 413 -4.601 9.466 7.985 1.00 0.00 C ATOM 209 O ARG A 413 -5.374 9.981 7.177 1.00 0.00 O ATOM 210 CB ARG A 413 -4.706 11.474 9.481 1.00 0.00 C ATOM 211 CG ARG A 413 -4.746 11.597 10.995 1.00 0.00 C ATOM 212 CD ARG A 413 -5.683 12.707 11.443 1.00 0.00 C ATOM 213 NE ARG A 413 -7.025 12.556 10.881 1.00 0.00 N ATOM 214 CZ ARG A 413 -7.403 13.064 9.710 1.00 0.00 C ATOM 215 NH1 ARG A 413 -6.547 13.750 8.963 1.00 0.00 N ATOM 216 NH2 ARG A 413 -8.645 12.881 9.281 1.00 0.00 N ATOM 0 H ARG A 413 -2.757 11.533 7.650 1.00 0.00 H new ATOM 0 HA ARG A 413 -3.552 9.695 9.833 1.00 0.00 H new ATOM 0 HB2 ARG A 413 -4.338 12.409 9.058 1.00 0.00 H new ATOM 0 HB3 ARG A 413 -5.721 11.333 9.109 1.00 0.00 H new ATOM 0 HG2 ARG A 413 -5.069 10.651 11.429 1.00 0.00 H new ATOM 0 HG3 ARG A 413 -3.742 11.794 11.371 1.00 0.00 H new ATOM 0 HD2 ARG A 413 -5.745 12.711 12.531 1.00 0.00 H new ATOM 0 HD3 ARG A 413 -5.272 13.671 11.143 1.00 0.00 H new ATOM 0 HE ARG A 413 -7.713 12.029 11.419 1.00 0.00 H new ATOM 0 HH11 ARG A 413 -5.590 13.892 9.285 1.00 0.00 H new ATOM 0 HH12 ARG A 413 -6.847 14.135 8.067 1.00 0.00 H new ATOM 0 HH21 ARG A 413 -9.308 12.352 9.848 1.00 0.00 H new ATOM 0 HH22 ARG A 413 -8.937 13.269 8.384 1.00 0.00 H new ATOM 230 N TRP A 414 -4.388 8.156 8.048 1.00 0.00 N ATOM 231 CA TRP A 414 -5.065 7.227 7.151 1.00 0.00 C ATOM 232 C TRP A 414 -6.378 6.742 7.757 1.00 0.00 C ATOM 233 O TRP A 414 -6.704 7.069 8.899 1.00 0.00 O ATOM 234 CB TRP A 414 -4.161 6.031 6.843 1.00 0.00 C ATOM 235 CG TRP A 414 -2.799 6.423 6.357 1.00 0.00 C ATOM 236 CD1 TRP A 414 -1.738 6.813 7.123 1.00 0.00 C ATOM 237 CD2 TRP A 414 -2.351 6.459 4.999 1.00 0.00 C ATOM 238 NE1 TRP A 414 -0.657 7.092 6.321 1.00 0.00 N ATOM 239 CE2 TRP A 414 -1.008 6.882 5.014 1.00 0.00 C ATOM 240 CE3 TRP A 414 -2.953 6.176 3.770 1.00 0.00 C ATOM 241 CZ2 TRP A 414 -0.259 7.028 3.848 1.00 0.00 C ATOM 242 CZ3 TRP A 414 -2.210 6.321 2.612 1.00 0.00 C ATOM 243 CH2 TRP A 414 -0.875 6.743 2.659 1.00 0.00 C ATOM 0 H TRP A 414 -3.752 7.714 8.711 1.00 0.00 H new ATOM 0 HA TRP A 414 -5.287 7.755 6.224 1.00 0.00 H new ATOM 0 HB2 TRP A 414 -4.057 5.423 7.742 1.00 0.00 H new ATOM 0 HB3 TRP A 414 -4.641 5.407 6.090 1.00 0.00 H new ATOM 0 HD1 TRP A 414 -1.747 6.891 8.200 1.00 0.00 H new ATOM 0 HE1 TRP A 414 0.258 7.405 6.646 1.00 0.00 H new ATOM 0 HE3 TRP A 414 -3.981 5.849 3.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 414 0.770 7.354 3.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 414 -2.666 6.106 1.657 1.00 0.00 H new ATOM 0 HH2 TRP A 414 -0.320 6.846 1.738 1.00 0.00 H new ATOM 254 N ARG A 415 -7.126 5.960 6.985 1.00 0.00 N ATOM 255 CA ARG A 415 -8.403 5.427 7.447 1.00 0.00 C ATOM 256 C ARG A 415 -8.890 4.313 6.525 1.00 0.00 C ATOM 257 O ARG A 415 -8.855 4.446 5.302 1.00 0.00 O ATOM 258 CB ARG A 415 -9.449 6.542 7.520 1.00 0.00 C ATOM 259 CG ARG A 415 -10.241 6.548 8.817 1.00 0.00 C ATOM 260 CD ARG A 415 -9.384 6.993 9.991 1.00 0.00 C ATOM 261 NE ARG A 415 -10.191 7.512 11.093 1.00 0.00 N ATOM 262 CZ ARG A 415 -10.953 6.754 11.875 1.00 0.00 C ATOM 263 NH1 ARG A 415 -11.015 5.441 11.684 1.00 0.00 N ATOM 264 NH2 ARG A 415 -11.657 7.307 12.854 1.00 0.00 N ATOM 0 H ARG A 415 -6.870 5.682 6.038 1.00 0.00 H new ATOM 0 HA ARG A 415 -8.258 5.012 8.444 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -8.951 7.504 7.404 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -10.139 6.437 6.683 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -11.098 7.214 8.718 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -10.633 5.550 9.010 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -8.787 6.152 10.344 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -8.686 7.762 9.659 1.00 0.00 H new ATOM 0 HE ARG A 415 -10.168 8.516 11.273 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -10.476 5.009 10.934 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -11.602 4.865 12.288 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -11.614 8.315 13.007 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -12.242 6.725 13.454 1.00 0.00 H new ATOM 278 N LYS A 416 -9.343 3.214 7.120 1.00 0.00 N ATOM 279 CA LYS A 416 -9.835 2.077 6.354 1.00 0.00 C ATOM 280 C LYS A 416 -11.214 2.369 5.769 1.00 0.00 C ATOM 281 O LYS A 416 -12.087 2.906 6.450 1.00 0.00 O ATOM 282 CB LYS A 416 -9.898 0.830 7.235 1.00 0.00 C ATOM 283 CG LYS A 416 -9.648 -0.464 6.478 1.00 0.00 C ATOM 284 CD LYS A 416 -9.356 -1.618 7.424 1.00 0.00 C ATOM 285 CE LYS A 416 -10.595 -2.462 7.672 1.00 0.00 C ATOM 286 NZ LYS A 416 -10.309 -3.619 8.565 1.00 0.00 N ATOM 0 H LYS A 416 -9.379 3.088 8.132 1.00 0.00 H new ATOM 0 HA LYS A 416 -9.141 1.899 5.532 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -9.162 0.922 8.033 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -10.878 0.780 7.710 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -10.519 -0.704 5.869 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -8.809 -0.331 5.796 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -8.567 -2.243 7.005 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -8.985 -1.228 8.372 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -11.373 -1.843 8.118 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -10.983 -2.825 6.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -11.179 -4.170 8.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -9.585 -4.224 8.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -9.963 -3.272 9.482 1.00 0.00 H new ATOM 300 N TYR A 417 -11.401 2.012 4.502 1.00 0.00 N ATOM 301 CA TYR A 417 -12.673 2.235 3.824 1.00 0.00 C ATOM 302 C TYR A 417 -13.146 0.964 3.125 1.00 0.00 C ATOM 303 O TYR A 417 -14.310 0.581 3.231 1.00 0.00 O ATOM 304 CB TYR A 417 -12.541 3.373 2.811 1.00 0.00 C ATOM 305 CG TYR A 417 -11.591 3.067 1.675 1.00 0.00 C ATOM 306 CD1 TYR A 417 -10.221 2.981 1.894 1.00 0.00 C ATOM 307 CD2 TYR A 417 -12.062 2.865 0.384 1.00 0.00 C ATOM 308 CE1 TYR A 417 -9.349 2.703 0.859 1.00 0.00 C ATOM 309 CE2 TYR A 417 -11.195 2.585 -0.656 1.00 0.00 C ATOM 310 CZ TYR A 417 -9.840 2.506 -0.414 1.00 0.00 C ATOM 311 OH TYR A 417 -8.976 2.228 -1.447 1.00 0.00 O ATOM 0 H TYR A 417 -10.688 1.567 3.924 1.00 0.00 H new ATOM 0 HA TYR A 417 -13.414 2.511 4.574 1.00 0.00 H new ATOM 0 HB2 TYR A 417 -13.525 3.598 2.400 1.00 0.00 H new ATOM 0 HB3 TYR A 417 -12.199 4.270 3.328 1.00 0.00 H new ATOM 0 HD1 TYR A 417 -9.832 3.134 2.890 1.00 0.00 H new ATOM 0 HD2 TYR A 417 -13.122 2.928 0.189 1.00 0.00 H new ATOM 0 HE1 TYR A 417 -8.287 2.640 1.046 1.00 0.00 H new ATOM 0 HE2 TYR A 417 -11.578 2.429 -1.654 1.00 0.00 H new ATOM 0 HH TYR A 417 -9.484 2.116 -2.277 1.00 0.00 H new ATOM 321 N GLY A 418 -12.231 0.315 2.410 1.00 0.00 N ATOM 322 CA GLY A 418 -12.571 -0.906 1.703 1.00 0.00 C ATOM 323 C GLY A 418 -11.658 -2.060 2.070 1.00 0.00 C ATOM 324 O GLY A 418 -10.481 -1.858 2.368 1.00 0.00 O ATOM 0 H GLY A 418 -11.261 0.613 2.308 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -13.603 -1.177 1.927 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -12.514 -0.729 0.629 1.00 0.00 H new ATOM 328 N GLN A 419 -12.203 -3.272 2.049 1.00 0.00 N ATOM 329 CA GLN A 419 -11.428 -4.462 2.384 1.00 0.00 C ATOM 330 C GLN A 419 -11.834 -5.640 1.504 1.00 0.00 C ATOM 331 O GLN A 419 -12.997 -5.776 1.126 1.00 0.00 O ATOM 332 CB GLN A 419 -11.618 -4.821 3.858 1.00 0.00 C ATOM 333 CG GLN A 419 -13.071 -5.037 4.249 1.00 0.00 C ATOM 334 CD GLN A 419 -13.225 -5.993 5.416 1.00 0.00 C ATOM 335 OE1 GLN A 419 -13.549 -7.166 5.233 1.00 0.00 O ATOM 336 NE2 GLN A 419 -12.992 -5.494 6.623 1.00 0.00 N ATOM 0 H GLN A 419 -13.176 -3.456 1.804 1.00 0.00 H new ATOM 0 HA GLN A 419 -10.375 -4.243 2.204 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -11.053 -5.726 4.079 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -11.199 -4.025 4.474 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -13.520 -4.078 4.508 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -13.620 -5.425 3.391 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -12.726 -4.515 6.727 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -13.079 -6.089 7.447 1.00 0.00 H new ATOM 345 N LYS A 420 -10.864 -6.490 1.181 1.00 0.00 N ATOM 346 CA LYS A 420 -11.119 -7.659 0.346 1.00 0.00 C ATOM 347 C LYS A 420 -10.744 -8.943 1.081 1.00 0.00 C ATOM 348 O LYS A 420 -9.922 -8.928 1.998 1.00 0.00 O ATOM 349 CB LYS A 420 -10.335 -7.557 -0.964 1.00 0.00 C ATOM 350 CG LYS A 420 -11.189 -7.772 -2.204 1.00 0.00 C ATOM 351 CD LYS A 420 -10.432 -8.532 -3.280 1.00 0.00 C ATOM 352 CE LYS A 420 -10.662 -7.929 -4.656 1.00 0.00 C ATOM 353 NZ LYS A 420 -12.106 -7.682 -4.921 1.00 0.00 N ATOM 0 H LYS A 420 -9.895 -6.391 1.484 1.00 0.00 H new ATOM 0 HA LYS A 420 -12.185 -7.689 0.120 1.00 0.00 H new ATOM 0 HB2 LYS A 420 -9.867 -6.574 -1.022 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -9.531 -8.293 -0.955 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -12.090 -8.323 -1.935 1.00 0.00 H new ATOM 0 HG3 LYS A 420 -11.510 -6.807 -2.597 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -9.366 -8.523 -3.051 1.00 0.00 H new ATOM 0 HD3 LYS A 420 -10.749 -9.575 -3.281 1.00 0.00 H new ATOM 0 HE2 LYS A 420 -10.113 -6.991 -4.738 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -10.263 -8.599 -5.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 -12.285 -7.734 -5.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -12.677 -8.401 -4.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 -12.366 -6.738 -4.572 1.00 0.00 H new ATOM 367 N VAL A 421 -11.352 -10.052 0.672 1.00 0.00 N ATOM 368 CA VAL A 421 -11.082 -11.345 1.291 1.00 0.00 C ATOM 369 C VAL A 421 -10.579 -12.351 0.261 1.00 0.00 C ATOM 370 O VAL A 421 -11.322 -12.777 -0.623 1.00 0.00 O ATOM 371 CB VAL A 421 -12.339 -11.910 1.982 1.00 0.00 C ATOM 372 CG1 VAL A 421 -13.456 -12.128 0.971 1.00 0.00 C ATOM 373 CG2 VAL A 421 -12.012 -13.203 2.715 1.00 0.00 C ATOM 0 H VAL A 421 -12.035 -10.081 -0.085 1.00 0.00 H new ATOM 0 HA VAL A 421 -10.309 -11.184 2.042 1.00 0.00 H new ATOM 0 HB VAL A 421 -12.684 -11.181 2.716 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -14.334 -12.527 1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -13.710 -11.179 0.499 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -13.125 -12.834 0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 421 -12.912 -13.586 3.196 1.00 0.00 H new ATOM 0 HG22 VAL A 421 -11.639 -13.940 2.004 1.00 0.00 H new ATOM 0 HG23 VAL A 421 -11.251 -13.010 3.471 1.00 0.00 H new ATOM 383 N VAL A 422 -9.309 -12.727 0.381 1.00 0.00 N ATOM 384 CA VAL A 422 -8.706 -13.683 -0.539 1.00 0.00 C ATOM 385 C VAL A 422 -8.915 -15.115 -0.057 1.00 0.00 C ATOM 386 O VAL A 422 -8.787 -15.405 1.133 1.00 0.00 O ATOM 387 CB VAL A 422 -7.197 -13.426 -0.709 1.00 0.00 C ATOM 388 CG1 VAL A 422 -6.615 -14.330 -1.787 1.00 0.00 C ATOM 389 CG2 VAL A 422 -6.936 -11.963 -1.034 1.00 0.00 C ATOM 0 H VAL A 422 -8.679 -12.384 1.106 1.00 0.00 H new ATOM 0 HA VAL A 422 -9.199 -13.550 -1.502 1.00 0.00 H new ATOM 0 HB VAL A 422 -6.702 -13.660 0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 422 -5.548 -14.132 -1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 422 -6.765 -15.373 -1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 422 -7.115 -14.133 -2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 422 -5.864 -11.802 -1.150 1.00 0.00 H new ATOM 0 HG22 VAL A 422 -7.445 -11.700 -1.961 1.00 0.00 H new ATOM 0 HG23 VAL A 422 -7.311 -11.338 -0.224 1.00 0.00 H new ATOM 399 N LYS A 423 -9.238 -16.007 -0.987 1.00 0.00 N ATOM 400 CA LYS A 423 -9.465 -17.409 -0.657 1.00 0.00 C ATOM 401 C LYS A 423 -8.143 -18.138 -0.440 1.00 0.00 C ATOM 402 O LYS A 423 -7.186 -17.947 -1.190 1.00 0.00 O ATOM 403 CB LYS A 423 -10.263 -18.094 -1.768 1.00 0.00 C ATOM 404 CG LYS A 423 -9.585 -18.036 -3.127 1.00 0.00 C ATOM 405 CD LYS A 423 -9.783 -19.329 -3.906 1.00 0.00 C ATOM 406 CE LYS A 423 -8.494 -19.782 -4.571 1.00 0.00 C ATOM 407 NZ LYS A 423 -7.783 -20.809 -3.760 1.00 0.00 N ATOM 0 H LYS A 423 -9.349 -15.784 -1.976 1.00 0.00 H new ATOM 0 HA LYS A 423 -10.038 -17.450 0.270 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -10.426 -19.137 -1.497 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -11.245 -17.626 -1.841 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -9.987 -17.200 -3.700 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -8.519 -17.849 -2.995 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -10.140 -20.109 -3.234 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -10.553 -19.184 -4.664 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -8.718 -20.189 -5.557 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -7.841 -18.922 -4.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -6.909 -21.092 -4.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -7.547 -20.413 -2.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -8.396 -21.640 -3.638 1.00 0.00 H new ATOM 421 N GLY A 424 -8.098 -18.975 0.592 1.00 0.00 N ATOM 422 CA GLY A 424 -6.889 -19.720 0.889 1.00 0.00 C ATOM 423 C GLY A 424 -5.978 -18.988 1.856 1.00 0.00 C ATOM 424 O GLY A 424 -5.512 -19.567 2.838 1.00 0.00 O ATOM 0 H GLY A 424 -8.877 -19.150 1.227 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -7.157 -20.689 1.310 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -6.349 -19.914 -0.038 1.00 0.00 H new ATOM 428 N ASN A 425 -5.724 -17.714 1.579 1.00 0.00 N ATOM 429 CA ASN A 425 -4.862 -16.904 2.432 1.00 0.00 C ATOM 430 C ASN A 425 -5.604 -16.464 3.694 1.00 0.00 C ATOM 431 O ASN A 425 -6.712 -15.934 3.617 1.00 0.00 O ATOM 432 CB ASN A 425 -4.363 -15.678 1.668 1.00 0.00 C ATOM 433 CG ASN A 425 -3.035 -15.925 0.979 1.00 0.00 C ATOM 434 OD1 ASN A 425 -2.152 -15.067 0.982 1.00 0.00 O ATOM 435 ND2 ASN A 425 -2.888 -17.103 0.383 1.00 0.00 N ATOM 0 H ASN A 425 -6.102 -17.220 0.771 1.00 0.00 H new ATOM 0 HA ASN A 425 -4.008 -17.513 2.727 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -5.106 -15.390 0.925 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -4.261 -14.841 2.358 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -2.016 -17.326 -0.097 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -3.647 -17.784 0.406 1.00 0.00 H new ATOM 442 N PRO A 426 -5.002 -16.677 4.879 1.00 0.00 N ATOM 443 CA PRO A 426 -5.617 -16.298 6.154 1.00 0.00 C ATOM 444 C PRO A 426 -5.559 -14.795 6.400 1.00 0.00 C ATOM 445 O PRO A 426 -6.466 -14.217 6.998 1.00 0.00 O ATOM 446 CB PRO A 426 -4.770 -17.042 7.186 1.00 0.00 C ATOM 447 CG PRO A 426 -3.429 -17.166 6.549 1.00 0.00 C ATOM 448 CD PRO A 426 -3.679 -17.306 5.071 1.00 0.00 C ATOM 0 HA PRO A 426 -6.677 -16.550 6.189 1.00 0.00 H new ATOM 0 HB2 PRO A 426 -4.714 -16.491 8.125 1.00 0.00 H new ATOM 0 HB3 PRO A 426 -5.192 -18.020 7.415 1.00 0.00 H new ATOM 0 HG2 PRO A 426 -2.816 -16.290 6.759 1.00 0.00 H new ATOM 0 HG3 PRO A 426 -2.892 -18.032 6.937 1.00 0.00 H new ATOM 0 HD2 PRO A 426 -2.908 -16.805 4.485 1.00 0.00 H new ATOM 0 HD3 PRO A 426 -3.684 -18.352 4.763 1.00 0.00 H new ATOM 456 N TYR A 427 -4.484 -14.166 5.934 1.00 0.00 N ATOM 457 CA TYR A 427 -4.304 -12.729 6.105 1.00 0.00 C ATOM 458 C TYR A 427 -5.221 -11.951 5.160 1.00 0.00 C ATOM 459 O TYR A 427 -5.080 -12.037 3.941 1.00 0.00 O ATOM 460 CB TYR A 427 -2.847 -12.343 5.849 1.00 0.00 C ATOM 461 CG TYR A 427 -1.897 -12.806 6.931 1.00 0.00 C ATOM 462 CD1 TYR A 427 -1.883 -12.195 8.177 1.00 0.00 C ATOM 463 CD2 TYR A 427 -1.016 -13.857 6.704 1.00 0.00 C ATOM 464 CE1 TYR A 427 -1.016 -12.615 9.168 1.00 0.00 C ATOM 465 CE2 TYR A 427 -0.147 -14.284 7.691 1.00 0.00 C ATOM 466 CZ TYR A 427 -0.152 -13.661 8.920 1.00 0.00 C ATOM 467 OH TYR A 427 0.713 -14.082 9.905 1.00 0.00 O ATOM 0 H TYR A 427 -3.725 -14.629 5.435 1.00 0.00 H new ATOM 0 HA TYR A 427 -4.566 -12.474 7.132 1.00 0.00 H new ATOM 0 HB2 TYR A 427 -2.531 -12.765 4.895 1.00 0.00 H new ATOM 0 HB3 TYR A 427 -2.778 -11.259 5.757 1.00 0.00 H new ATOM 0 HD1 TYR A 427 -2.561 -11.378 8.376 1.00 0.00 H new ATOM 0 HD2 TYR A 427 -1.010 -14.348 5.742 1.00 0.00 H new ATOM 0 HE1 TYR A 427 -1.015 -12.127 10.131 1.00 0.00 H new ATOM 0 HE2 TYR A 427 0.532 -15.102 7.500 1.00 0.00 H new ATOM 0 HH TYR A 427 1.252 -14.828 9.570 1.00 0.00 H new ATOM 477 N PRO A 428 -6.174 -11.174 5.709 1.00 0.00 N ATOM 478 CA PRO A 428 -7.107 -10.384 4.899 1.00 0.00 C ATOM 479 C PRO A 428 -6.409 -9.247 4.160 1.00 0.00 C ATOM 480 O PRO A 428 -5.216 -9.009 4.351 1.00 0.00 O ATOM 481 CB PRO A 428 -8.094 -9.825 5.928 1.00 0.00 C ATOM 482 CG PRO A 428 -7.342 -9.821 7.213 1.00 0.00 C ATOM 483 CD PRO A 428 -6.418 -11.005 7.155 1.00 0.00 C ATOM 0 HA PRO A 428 -7.579 -10.985 4.122 1.00 0.00 H new ATOM 0 HB2 PRO A 428 -8.421 -8.821 5.658 1.00 0.00 H new ATOM 0 HB3 PRO A 428 -8.989 -10.444 5.995 1.00 0.00 H new ATOM 0 HG2 PRO A 428 -6.781 -8.894 7.334 1.00 0.00 H new ATOM 0 HG3 PRO A 428 -8.021 -9.897 8.063 1.00 0.00 H new ATOM 0 HD2 PRO A 428 -5.492 -10.820 7.700 1.00 0.00 H new ATOM 0 HD3 PRO A 428 -6.874 -11.893 7.593 1.00 0.00 H new ATOM 491 N ARG A 429 -7.158 -8.549 3.313 1.00 0.00 N ATOM 492 CA ARG A 429 -6.610 -7.437 2.546 1.00 0.00 C ATOM 493 C ARG A 429 -7.257 -6.118 2.954 1.00 0.00 C ATOM 494 O ARG A 429 -8.414 -5.854 2.627 1.00 0.00 O ATOM 495 CB ARG A 429 -6.814 -7.676 1.047 1.00 0.00 C ATOM 496 CG ARG A 429 -5.653 -8.395 0.382 1.00 0.00 C ATOM 497 CD ARG A 429 -5.764 -8.350 -1.134 1.00 0.00 C ATOM 498 NE ARG A 429 -5.221 -7.111 -1.684 1.00 0.00 N ATOM 499 CZ ARG A 429 -4.875 -6.956 -2.960 1.00 0.00 C ATOM 500 NH1 ARG A 429 -5.011 -7.959 -3.819 1.00 0.00 N ATOM 501 NH2 ARG A 429 -4.391 -5.794 -3.379 1.00 0.00 N ATOM 0 H ARG A 429 -8.146 -8.734 3.141 1.00 0.00 H new ATOM 0 HA ARG A 429 -5.543 -7.375 2.758 1.00 0.00 H new ATOM 0 HB2 ARG A 429 -7.723 -8.259 0.901 1.00 0.00 H new ATOM 0 HB3 ARG A 429 -6.968 -6.717 0.552 1.00 0.00 H new ATOM 0 HG2 ARG A 429 -4.714 -7.937 0.693 1.00 0.00 H new ATOM 0 HG3 ARG A 429 -5.627 -9.432 0.715 1.00 0.00 H new ATOM 0 HD2 ARG A 429 -5.233 -9.200 -1.562 1.00 0.00 H new ATOM 0 HD3 ARG A 429 -6.810 -8.448 -1.424 1.00 0.00 H new ATOM 0 HE ARG A 429 -5.100 -6.318 -1.054 1.00 0.00 H new ATOM 0 HH11 ARG A 429 -5.382 -8.855 -3.503 1.00 0.00 H new ATOM 0 HH12 ARG A 429 -4.744 -7.834 -4.795 1.00 0.00 H new ATOM 0 HH21 ARG A 429 -4.284 -5.020 -2.723 1.00 0.00 H new ATOM 0 HH22 ARG A 429 -4.126 -5.675 -4.357 1.00 0.00 H new ATOM 515 N SER A 430 -6.503 -5.294 3.674 1.00 0.00 N ATOM 516 CA SER A 430 -7.003 -4.000 4.127 1.00 0.00 C ATOM 517 C SER A 430 -6.522 -2.882 3.208 1.00 0.00 C ATOM 518 O SER A 430 -5.363 -2.860 2.792 1.00 0.00 O ATOM 519 CB SER A 430 -6.544 -3.727 5.562 1.00 0.00 C ATOM 520 OG SER A 430 -7.508 -4.178 6.499 1.00 0.00 O ATOM 0 H SER A 430 -5.544 -5.498 3.956 1.00 0.00 H new ATOM 0 HA SER A 430 -8.092 -4.028 4.099 1.00 0.00 H new ATOM 0 HB2 SER A 430 -5.593 -4.227 5.745 1.00 0.00 H new ATOM 0 HB3 SER A 430 -6.374 -2.659 5.696 1.00 0.00 H new ATOM 0 HG SER A 430 -7.192 -3.994 7.408 1.00 0.00 H new ATOM 526 N TYR A 431 -7.421 -1.955 2.890 1.00 0.00 N ATOM 527 CA TYR A 431 -7.088 -0.834 2.019 1.00 0.00 C ATOM 528 C TYR A 431 -7.248 0.495 2.749 1.00 0.00 C ATOM 529 O TYR A 431 -8.364 0.976 2.945 1.00 0.00 O ATOM 530 CB TYR A 431 -7.973 -0.852 0.771 1.00 0.00 C ATOM 531 CG TYR A 431 -7.967 -2.175 0.041 1.00 0.00 C ATOM 532 CD1 TYR A 431 -6.776 -2.749 -0.389 1.00 0.00 C ATOM 533 CD2 TYR A 431 -9.150 -2.854 -0.218 1.00 0.00 C ATOM 534 CE1 TYR A 431 -6.766 -3.958 -1.057 1.00 0.00 C ATOM 535 CE2 TYR A 431 -9.149 -4.064 -0.886 1.00 0.00 C ATOM 536 CZ TYR A 431 -7.954 -4.611 -1.304 1.00 0.00 C ATOM 537 OH TYR A 431 -7.948 -5.817 -1.968 1.00 0.00 O ATOM 0 H TYR A 431 -8.385 -1.959 3.223 1.00 0.00 H new ATOM 0 HA TYR A 431 -6.045 -0.938 1.721 1.00 0.00 H new ATOM 0 HB2 TYR A 431 -8.996 -0.610 1.059 1.00 0.00 H new ATOM 0 HB3 TYR A 431 -7.640 -0.069 0.089 1.00 0.00 H new ATOM 0 HD1 TYR A 431 -5.842 -2.241 -0.197 1.00 0.00 H new ATOM 0 HD2 TYR A 431 -10.088 -2.429 0.108 1.00 0.00 H new ATOM 0 HE1 TYR A 431 -5.832 -4.389 -1.384 1.00 0.00 H new ATOM 0 HE2 TYR A 431 -10.079 -4.578 -1.080 1.00 0.00 H new ATOM 0 HH TYR A 431 -8.597 -5.790 -2.701 1.00 0.00 H new ATOM 547 N TYR A 432 -6.126 1.085 3.144 1.00 0.00 N ATOM 548 CA TYR A 432 -6.140 2.362 3.849 1.00 0.00 C ATOM 549 C TYR A 432 -5.999 3.521 2.867 1.00 0.00 C ATOM 550 O TYR A 432 -5.616 3.324 1.714 1.00 0.00 O ATOM 551 CB TYR A 432 -5.015 2.414 4.883 1.00 0.00 C ATOM 552 CG TYR A 432 -5.096 1.317 5.922 1.00 0.00 C ATOM 553 CD1 TYR A 432 -6.041 1.370 6.939 1.00 0.00 C ATOM 554 CD2 TYR A 432 -4.231 0.232 5.884 1.00 0.00 C ATOM 555 CE1 TYR A 432 -6.119 0.370 7.891 1.00 0.00 C ATOM 556 CE2 TYR A 432 -4.303 -0.771 6.832 1.00 0.00 C ATOM 557 CZ TYR A 432 -5.249 -0.698 7.832 1.00 0.00 C ATOM 558 OH TYR A 432 -5.324 -1.695 8.777 1.00 0.00 O ATOM 0 H TYR A 432 -5.195 0.700 2.988 1.00 0.00 H new ATOM 0 HA TYR A 432 -7.096 2.455 4.363 1.00 0.00 H new ATOM 0 HB2 TYR A 432 -4.057 2.346 4.368 1.00 0.00 H new ATOM 0 HB3 TYR A 432 -5.039 3.381 5.385 1.00 0.00 H new ATOM 0 HD1 TYR A 432 -6.725 2.205 6.987 1.00 0.00 H new ATOM 0 HD2 TYR A 432 -3.490 0.171 5.101 1.00 0.00 H new ATOM 0 HE1 TYR A 432 -6.858 0.425 8.677 1.00 0.00 H new ATOM 0 HE2 TYR A 432 -3.622 -1.608 6.790 1.00 0.00 H new ATOM 0 HH TYR A 432 -4.642 -2.374 8.592 1.00 0.00 H new ATOM 568 N LYS A 433 -6.311 4.727 3.328 1.00 0.00 N ATOM 569 CA LYS A 433 -6.218 5.912 2.485 1.00 0.00 C ATOM 570 C LYS A 433 -6.059 7.176 3.322 1.00 0.00 C ATOM 571 O LYS A 433 -6.838 7.425 4.243 1.00 0.00 O ATOM 572 CB LYS A 433 -7.459 6.027 1.598 1.00 0.00 C ATOM 573 CG LYS A 433 -8.757 6.145 2.381 1.00 0.00 C ATOM 574 CD LYS A 433 -9.459 7.467 2.108 1.00 0.00 C ATOM 575 CE LYS A 433 -10.971 7.318 2.168 1.00 0.00 C ATOM 576 NZ LYS A 433 -11.605 8.412 2.957 1.00 0.00 N ATOM 0 H LYS A 433 -6.630 4.909 4.280 1.00 0.00 H new ATOM 0 HA LYS A 433 -5.334 5.807 1.857 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -7.354 6.898 0.951 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -7.514 5.153 0.949 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -9.418 5.320 2.116 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -8.548 6.057 3.447 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -9.136 8.209 2.838 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -9.168 7.839 1.126 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -11.376 7.318 1.156 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -11.224 6.356 2.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -12.637 8.284 2.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -11.250 8.386 3.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -11.371 9.330 2.528 1.00 0.00 H new ATOM 590 N CYS A 434 -5.050 7.975 2.991 1.00 0.00 N ATOM 591 CA CYS A 434 -4.790 9.218 3.707 1.00 0.00 C ATOM 592 C CYS A 434 -5.916 10.219 3.466 1.00 0.00 C ATOM 593 O CYS A 434 -5.920 10.936 2.465 1.00 0.00 O ATOM 594 CB CYS A 434 -3.452 9.813 3.260 1.00 0.00 C ATOM 595 SG CYS A 434 -2.851 11.158 4.307 1.00 0.00 S ATOM 0 H CYS A 434 -4.398 7.783 2.230 1.00 0.00 H new ATOM 0 HA CYS A 434 -4.742 9.000 4.774 1.00 0.00 H new ATOM 0 HB2 CYS A 434 -2.704 9.021 3.241 1.00 0.00 H new ATOM 0 HB3 CYS A 434 -3.554 10.180 2.239 1.00 0.00 H new ATOM 0 HG CYS A 434 -3.673 12.162 4.238 1.00 0.00 H new ATOM 600 N THR A 435 -6.874 10.256 4.386 1.00 0.00 N ATOM 601 CA THR A 435 -8.012 11.162 4.269 1.00 0.00 C ATOM 602 C THR A 435 -7.772 12.469 5.022 1.00 0.00 C ATOM 603 O THR A 435 -8.354 12.707 6.080 1.00 0.00 O ATOM 604 CB THR A 435 -9.306 10.510 4.796 1.00 0.00 C ATOM 605 OG1 THR A 435 -10.404 11.422 4.659 1.00 0.00 O ATOM 606 CG2 THR A 435 -9.158 10.105 6.254 1.00 0.00 C ATOM 0 H THR A 435 -6.886 9.670 5.221 1.00 0.00 H new ATOM 0 HA THR A 435 -8.125 11.380 3.207 1.00 0.00 H new ATOM 0 HB THR A 435 -9.499 9.614 4.206 1.00 0.00 H new ATOM 0 HG1 THR A 435 -11.223 11.001 4.994 1.00 0.00 H new ATOM 0 HG21 THR A 435 -10.085 9.648 6.601 1.00 0.00 H new ATOM 0 HG22 THR A 435 -8.342 9.389 6.352 1.00 0.00 H new ATOM 0 HG23 THR A 435 -8.941 10.987 6.856 1.00 0.00 H new ATOM 614 N THR A 436 -6.916 13.318 4.462 1.00 0.00 N ATOM 615 CA THR A 436 -6.605 14.604 5.074 1.00 0.00 C ATOM 616 C THR A 436 -7.388 15.727 4.394 1.00 0.00 C ATOM 617 O THR A 436 -7.968 15.526 3.328 1.00 0.00 O ATOM 618 CB THR A 436 -5.095 14.915 4.995 1.00 0.00 C ATOM 619 OG1 THR A 436 -4.392 13.794 4.446 1.00 0.00 O ATOM 620 CG2 THR A 436 -4.533 15.238 6.373 1.00 0.00 C ATOM 0 H THR A 436 -6.426 13.138 3.586 1.00 0.00 H new ATOM 0 HA THR A 436 -6.894 14.542 6.123 1.00 0.00 H new ATOM 0 HB THR A 436 -4.962 15.784 4.350 1.00 0.00 H new ATOM 0 HG1 THR A 436 -3.460 14.044 4.276 1.00 0.00 H new ATOM 0 HG21 THR A 436 -3.468 15.453 6.290 1.00 0.00 H new ATOM 0 HG22 THR A 436 -5.048 16.107 6.781 1.00 0.00 H new ATOM 0 HG23 THR A 436 -4.680 14.385 7.035 1.00 0.00 H new ATOM 628 N PRO A 437 -7.418 16.926 5.002 1.00 0.00 N ATOM 629 CA PRO A 437 -8.140 18.074 4.440 1.00 0.00 C ATOM 630 C PRO A 437 -7.719 18.373 3.006 1.00 0.00 C ATOM 631 O PRO A 437 -6.812 19.171 2.766 1.00 0.00 O ATOM 632 CB PRO A 437 -7.750 19.229 5.367 1.00 0.00 C ATOM 633 CG PRO A 437 -7.379 18.576 6.652 1.00 0.00 C ATOM 634 CD PRO A 437 -6.756 17.260 6.276 1.00 0.00 C ATOM 0 HA PRO A 437 -9.214 17.897 4.390 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -6.916 19.800 4.958 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -8.578 19.925 5.502 1.00 0.00 H new ATOM 0 HG2 PRO A 437 -6.680 19.193 7.217 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -8.255 18.428 7.283 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -5.676 17.345 6.158 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -6.935 16.498 7.035 1.00 0.00 H new ATOM 642 N GLY A 438 -8.381 17.725 2.053 1.00 0.00 N ATOM 643 CA GLY A 438 -8.061 17.933 0.654 1.00 0.00 C ATOM 644 C GLY A 438 -7.252 16.791 0.068 1.00 0.00 C ATOM 645 O GLY A 438 -7.267 16.568 -1.142 1.00 0.00 O ATOM 0 H GLY A 438 -9.134 17.059 2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -8.984 18.049 0.087 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -7.502 18.863 0.547 1.00 0.00 H new ATOM 649 N CYS A 439 -6.541 16.068 0.929 1.00 0.00 N ATOM 650 CA CYS A 439 -5.721 14.944 0.490 1.00 0.00 C ATOM 651 C CYS A 439 -6.538 13.657 0.446 1.00 0.00 C ATOM 652 O CYS A 439 -7.346 13.390 1.336 1.00 0.00 O ATOM 653 CB CYS A 439 -4.521 14.772 1.424 1.00 0.00 C ATOM 654 SG CYS A 439 -3.431 13.397 0.985 1.00 0.00 S ATOM 0 H CYS A 439 -6.516 16.241 1.934 1.00 0.00 H new ATOM 0 HA CYS A 439 -5.363 15.156 -0.517 1.00 0.00 H new ATOM 0 HB2 CYS A 439 -3.941 15.695 1.425 1.00 0.00 H new ATOM 0 HB3 CYS A 439 -4.885 14.622 2.441 1.00 0.00 H new ATOM 0 HG CYS A 439 -3.417 13.250 -0.307 1.00 0.00 H new ATOM 659 N GLY A 440 -6.320 12.860 -0.596 1.00 0.00 N ATOM 660 CA GLY A 440 -7.041 11.610 -0.739 1.00 0.00 C ATOM 661 C GLY A 440 -6.163 10.494 -1.273 1.00 0.00 C ATOM 662 O GLY A 440 -6.487 9.869 -2.283 1.00 0.00 O ATOM 0 H GLY A 440 -5.656 13.059 -1.344 1.00 0.00 H new ATOM 0 HA2 GLY A 440 -7.449 11.316 0.228 1.00 0.00 H new ATOM 0 HA3 GLY A 440 -7.887 11.756 -1.411 1.00 0.00 H new ATOM 666 N VAL A 441 -5.049 10.247 -0.591 1.00 0.00 N ATOM 667 CA VAL A 441 -4.120 9.200 -1.002 1.00 0.00 C ATOM 668 C VAL A 441 -4.629 7.822 -0.592 1.00 0.00 C ATOM 669 O VAL A 441 -5.336 7.683 0.406 1.00 0.00 O ATOM 670 CB VAL A 441 -2.721 9.420 -0.396 1.00 0.00 C ATOM 671 CG1 VAL A 441 -1.725 8.421 -0.966 1.00 0.00 C ATOM 672 CG2 VAL A 441 -2.250 10.847 -0.635 1.00 0.00 C ATOM 0 H VAL A 441 -4.768 10.756 0.247 1.00 0.00 H new ATOM 0 HA VAL A 441 -4.048 9.249 -2.089 1.00 0.00 H new ATOM 0 HB VAL A 441 -2.786 9.259 0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 441 -0.743 8.594 -0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 441 -2.053 7.408 -0.735 1.00 0.00 H new ATOM 0 HG13 VAL A 441 -1.664 8.545 -2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 441 -1.260 10.981 -0.199 1.00 0.00 H new ATOM 0 HG22 VAL A 441 -2.204 11.040 -1.707 1.00 0.00 H new ATOM 0 HG23 VAL A 441 -2.948 11.543 -0.171 1.00 0.00 H new ATOM 682 N ARG A 442 -4.263 6.806 -1.367 1.00 0.00 N ATOM 683 CA ARG A 442 -4.683 5.439 -1.084 1.00 0.00 C ATOM 684 C ARG A 442 -3.487 4.491 -1.085 1.00 0.00 C ATOM 685 O ARG A 442 -2.484 4.743 -1.754 1.00 0.00 O ATOM 686 CB ARG A 442 -5.715 4.976 -2.113 1.00 0.00 C ATOM 687 CG ARG A 442 -6.772 6.023 -2.428 1.00 0.00 C ATOM 688 CD ARG A 442 -8.132 5.387 -2.669 1.00 0.00 C ATOM 689 NE ARG A 442 -9.063 6.315 -3.306 1.00 0.00 N ATOM 690 CZ ARG A 442 -10.384 6.156 -3.304 1.00 0.00 C ATOM 691 NH1 ARG A 442 -10.934 5.109 -2.703 1.00 0.00 N ATOM 692 NH2 ARG A 442 -11.160 7.049 -3.908 1.00 0.00 N ATOM 0 H ARG A 442 -3.676 6.904 -2.196 1.00 0.00 H new ATOM 0 HA ARG A 442 -5.136 5.423 -0.093 1.00 0.00 H new ATOM 0 HB2 ARG A 442 -5.200 4.703 -3.034 1.00 0.00 H new ATOM 0 HB3 ARG A 442 -6.206 4.076 -1.743 1.00 0.00 H new ATOM 0 HG2 ARG A 442 -6.842 6.731 -1.602 1.00 0.00 H new ATOM 0 HG3 ARG A 442 -6.473 6.590 -3.310 1.00 0.00 H new ATOM 0 HD2 ARG A 442 -8.013 4.504 -3.297 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -8.548 5.050 -1.720 1.00 0.00 H new ATOM 0 HE ARG A 442 -8.678 7.132 -3.780 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -10.343 4.419 -2.238 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -11.947 4.994 -2.706 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -10.743 7.856 -4.373 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -12.173 6.928 -3.907 1.00 0.00 H new ATOM 706 N LYS A 443 -3.600 3.403 -0.332 1.00 0.00 N ATOM 707 CA LYS A 443 -2.528 2.417 -0.245 1.00 0.00 C ATOM 708 C LYS A 443 -3.087 1.029 0.052 1.00 0.00 C ATOM 709 O LYS A 443 -3.907 0.861 0.954 1.00 0.00 O ATOM 710 CB LYS A 443 -1.523 2.818 0.836 1.00 0.00 C ATOM 711 CG LYS A 443 -2.105 2.814 2.241 1.00 0.00 C ATOM 712 CD LYS A 443 -1.063 3.197 3.278 1.00 0.00 C ATOM 713 CE LYS A 443 -1.147 2.308 4.509 1.00 0.00 C ATOM 714 NZ LYS A 443 -0.939 3.078 5.766 1.00 0.00 N ATOM 0 H LYS A 443 -4.423 3.181 0.228 1.00 0.00 H new ATOM 0 HA LYS A 443 -2.020 2.385 -1.209 1.00 0.00 H new ATOM 0 HB2 LYS A 443 -0.674 2.136 0.802 1.00 0.00 H new ATOM 0 HB3 LYS A 443 -1.141 3.814 0.613 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -2.942 3.510 2.291 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -2.500 1.824 2.469 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -0.068 3.121 2.840 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -1.204 4.238 3.570 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -2.122 1.821 4.539 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -0.398 1.519 4.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -1.327 2.543 6.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 0.079 3.234 5.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -1.423 3.996 5.695 1.00 0.00 H new ATOM 728 N HIS A 444 -2.637 0.039 -0.712 1.00 0.00 N ATOM 729 CA HIS A 444 -3.091 -1.334 -0.528 1.00 0.00 C ATOM 730 C HIS A 444 -2.045 -2.159 0.214 1.00 0.00 C ATOM 731 O HIS A 444 -0.917 -2.314 -0.256 1.00 0.00 O ATOM 732 CB HIS A 444 -3.399 -1.977 -1.882 1.00 0.00 C ATOM 733 CG HIS A 444 -4.244 -1.119 -2.773 1.00 0.00 C ATOM 734 ND1 HIS A 444 -3.998 -0.964 -4.121 1.00 0.00 N ATOM 735 CD2 HIS A 444 -5.337 -0.367 -2.504 1.00 0.00 C ATOM 736 CE1 HIS A 444 -4.904 -0.154 -4.641 1.00 0.00 C ATOM 737 NE2 HIS A 444 -5.727 0.222 -3.681 1.00 0.00 N ATOM 0 H HIS A 444 -1.959 0.162 -1.464 1.00 0.00 H new ATOM 0 HA HIS A 444 -4.001 -1.312 0.072 1.00 0.00 H new ATOM 0 HB2 HIS A 444 -2.461 -2.202 -2.390 1.00 0.00 H new ATOM 0 HB3 HIS A 444 -3.908 -2.927 -1.717 1.00 0.00 H new ATOM 0 HD2 HIS A 444 -5.814 -0.252 -1.542 1.00 0.00 H new ATOM 0 HE1 HIS A 444 -4.961 0.149 -5.676 1.00 0.00 H new ATOM 0 HE2 HIS A 444 -6.524 0.849 -3.795 1.00 0.00 H new ATOM 746 N VAL A 445 -2.426 -2.685 1.373 1.00 0.00 N ATOM 747 CA VAL A 445 -1.520 -3.493 2.179 1.00 0.00 C ATOM 748 C VAL A 445 -1.860 -4.976 2.069 1.00 0.00 C ATOM 749 O VAL A 445 -2.752 -5.471 2.759 1.00 0.00 O ATOM 750 CB VAL A 445 -1.563 -3.078 3.661 1.00 0.00 C ATOM 751 CG1 VAL A 445 -0.475 -3.792 4.449 1.00 0.00 C ATOM 752 CG2 VAL A 445 -1.429 -1.568 3.797 1.00 0.00 C ATOM 0 H VAL A 445 -3.356 -2.566 1.775 1.00 0.00 H new ATOM 0 HA VAL A 445 -0.516 -3.323 1.791 1.00 0.00 H new ATOM 0 HB VAL A 445 -2.528 -3.372 4.074 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -0.522 -3.485 5.494 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -0.623 -4.870 4.380 1.00 0.00 H new ATOM 0 HG13 VAL A 445 0.501 -3.533 4.038 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -1.462 -1.293 4.851 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -0.480 -1.247 3.367 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -2.249 -1.081 3.270 1.00 0.00 H new ATOM 762 N GLU A 446 -1.145 -5.678 1.197 1.00 0.00 N ATOM 763 CA GLU A 446 -1.372 -7.106 0.997 1.00 0.00 C ATOM 764 C GLU A 446 -0.179 -7.920 1.486 1.00 0.00 C ATOM 765 O GLU A 446 0.960 -7.667 1.094 1.00 0.00 O ATOM 766 CB GLU A 446 -1.632 -7.397 -0.483 1.00 0.00 C ATOM 767 CG GLU A 446 -2.036 -8.839 -0.756 1.00 0.00 C ATOM 768 CD GLU A 446 -0.990 -9.598 -1.549 1.00 0.00 C ATOM 769 OE1 GLU A 446 -0.089 -10.195 -0.923 1.00 0.00 O ATOM 770 OE2 GLU A 446 -1.075 -9.599 -2.795 1.00 0.00 O ATOM 0 H GLU A 446 -0.404 -5.283 0.618 1.00 0.00 H new ATOM 0 HA GLU A 446 -2.248 -7.396 1.578 1.00 0.00 H new ATOM 0 HB2 GLU A 446 -2.418 -6.733 -0.843 1.00 0.00 H new ATOM 0 HB3 GLU A 446 -0.733 -7.165 -1.054 1.00 0.00 H new ATOM 0 HG2 GLU A 446 -2.209 -9.349 0.191 1.00 0.00 H new ATOM 0 HG3 GLU A 446 -2.980 -8.851 -1.302 1.00 0.00 H new ATOM 777 N ARG A 447 -0.448 -8.898 2.345 1.00 0.00 N ATOM 778 CA ARG A 447 0.604 -9.748 2.888 1.00 0.00 C ATOM 779 C ARG A 447 0.646 -11.090 2.163 1.00 0.00 C ATOM 780 O ARG A 447 -0.269 -11.904 2.288 1.00 0.00 O ATOM 781 CB ARG A 447 0.386 -9.973 4.386 1.00 0.00 C ATOM 782 CG ARG A 447 0.606 -8.726 5.225 1.00 0.00 C ATOM 783 CD ARG A 447 0.008 -8.874 6.616 1.00 0.00 C ATOM 784 NE ARG A 447 0.940 -8.457 7.660 1.00 0.00 N ATOM 785 CZ ARG A 447 1.170 -7.188 7.985 1.00 0.00 C ATOM 786 NH1 ARG A 447 0.537 -6.208 7.351 1.00 0.00 N ATOM 787 NH2 ARG A 447 2.033 -6.896 8.948 1.00 0.00 N ATOM 0 H ARG A 447 -1.385 -9.121 2.680 1.00 0.00 H new ATOM 0 HA ARG A 447 1.558 -9.243 2.738 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -0.630 -10.335 4.547 1.00 0.00 H new ATOM 0 HB3 ARG A 447 1.062 -10.756 4.730 1.00 0.00 H new ATOM 0 HG2 ARG A 447 1.674 -8.526 5.307 1.00 0.00 H new ATOM 0 HG3 ARG A 447 0.158 -7.867 4.725 1.00 0.00 H new ATOM 0 HD2 ARG A 447 -0.903 -8.279 6.684 1.00 0.00 H new ATOM 0 HD3 ARG A 447 -0.278 -9.913 6.779 1.00 0.00 H new ATOM 0 HE ARG A 447 1.445 -9.182 8.170 1.00 0.00 H new ATOM 0 HH11 ARG A 447 -0.130 -6.427 6.611 1.00 0.00 H new ATOM 0 HH12 ARG A 447 0.717 -5.237 7.604 1.00 0.00 H new ATOM 0 HH21 ARG A 447 2.521 -7.645 9.440 1.00 0.00 H new ATOM 0 HH22 ARG A 447 2.209 -5.923 9.197 1.00 0.00 H new ATOM 801 N ALA A 448 1.713 -11.312 1.402 1.00 0.00 N ATOM 802 CA ALA A 448 1.873 -12.554 0.655 1.00 0.00 C ATOM 803 C ALA A 448 2.019 -13.744 1.598 1.00 0.00 C ATOM 804 O ALA A 448 2.952 -13.804 2.399 1.00 0.00 O ATOM 805 CB ALA A 448 3.075 -12.460 -0.273 1.00 0.00 C ATOM 0 H ALA A 448 2.479 -10.648 1.287 1.00 0.00 H new ATOM 0 HA ALA A 448 0.977 -12.708 0.054 1.00 0.00 H new ATOM 0 HB1 ALA A 448 3.183 -13.394 -0.825 1.00 0.00 H new ATOM 0 HB2 ALA A 448 2.929 -11.639 -0.975 1.00 0.00 H new ATOM 0 HB3 ALA A 448 3.975 -12.280 0.315 1.00 0.00 H new ATOM 811 N ALA A 449 1.090 -14.689 1.495 1.00 0.00 N ATOM 812 CA ALA A 449 1.113 -15.879 2.338 1.00 0.00 C ATOM 813 C ALA A 449 2.004 -16.964 1.741 1.00 0.00 C ATOM 814 O ALA A 449 2.543 -17.803 2.462 1.00 0.00 O ATOM 815 CB ALA A 449 -0.300 -16.407 2.541 1.00 0.00 C ATOM 0 H ALA A 449 0.312 -14.654 0.836 1.00 0.00 H new ATOM 0 HA ALA A 449 1.530 -15.599 3.305 1.00 0.00 H new ATOM 0 HB1 ALA A 449 -0.269 -17.295 3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 449 -0.909 -15.641 3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 449 -0.735 -16.663 1.575 1.00 0.00 H new ATOM 821 N THR A 450 2.156 -16.941 0.419 1.00 0.00 N ATOM 822 CA THR A 450 2.982 -17.924 -0.273 1.00 0.00 C ATOM 823 C THR A 450 4.386 -17.981 0.320 1.00 0.00 C ATOM 824 O THR A 450 4.980 -19.054 0.431 1.00 0.00 O ATOM 825 CB THR A 450 3.085 -17.609 -1.777 1.00 0.00 C ATOM 826 OG1 THR A 450 3.015 -16.193 -1.988 1.00 0.00 O ATOM 827 CG2 THR A 450 1.970 -18.297 -2.552 1.00 0.00 C ATOM 0 H THR A 450 1.718 -16.253 -0.193 1.00 0.00 H new ATOM 0 HA THR A 450 2.498 -18.892 -0.143 1.00 0.00 H new ATOM 0 HB THR A 450 4.043 -17.983 -2.139 1.00 0.00 H new ATOM 0 HG1 THR A 450 3.083 -16.001 -2.947 1.00 0.00 H new ATOM 0 HG21 THR A 450 2.063 -18.060 -3.612 1.00 0.00 H new ATOM 0 HG22 THR A 450 2.043 -19.376 -2.414 1.00 0.00 H new ATOM 0 HG23 THR A 450 1.004 -17.949 -2.186 1.00 0.00 H new ATOM 835 N ASP A 451 4.910 -16.822 0.700 1.00 0.00 N ATOM 836 CA ASP A 451 6.244 -16.740 1.282 1.00 0.00 C ATOM 837 C ASP A 451 6.171 -16.785 2.807 1.00 0.00 C ATOM 838 O ASP A 451 5.108 -16.577 3.391 1.00 0.00 O ATOM 839 CB ASP A 451 6.945 -15.458 0.827 1.00 0.00 C ATOM 840 CG ASP A 451 8.280 -15.734 0.161 1.00 0.00 C ATOM 841 OD1 ASP A 451 8.311 -16.533 -0.797 1.00 0.00 O ATOM 842 OD2 ASP A 451 9.292 -15.149 0.600 1.00 0.00 O ATOM 0 H ASP A 451 4.431 -15.925 0.615 1.00 0.00 H new ATOM 0 HA ASP A 451 6.820 -17.599 0.937 1.00 0.00 H new ATOM 0 HB2 ASP A 451 6.299 -14.921 0.132 1.00 0.00 H new ATOM 0 HB3 ASP A 451 7.099 -14.806 1.687 1.00 0.00 H new ATOM 847 N PRO A 452 7.306 -17.056 3.475 1.00 0.00 N ATOM 848 CA PRO A 452 7.362 -17.126 4.938 1.00 0.00 C ATOM 849 C PRO A 452 6.742 -15.899 5.600 1.00 0.00 C ATOM 850 O PRO A 452 6.132 -15.997 6.664 1.00 0.00 O ATOM 851 CB PRO A 452 8.862 -17.192 5.233 1.00 0.00 C ATOM 852 CG PRO A 452 9.460 -17.796 4.009 1.00 0.00 C ATOM 853 CD PRO A 452 8.621 -17.316 2.857 1.00 0.00 C ATOM 0 HA PRO A 452 6.800 -17.975 5.328 1.00 0.00 H new ATOM 0 HB2 PRO A 452 9.272 -16.201 5.427 1.00 0.00 H new ATOM 0 HB3 PRO A 452 9.066 -17.799 6.115 1.00 0.00 H new ATOM 0 HG2 PRO A 452 10.499 -17.488 3.890 1.00 0.00 H new ATOM 0 HG3 PRO A 452 9.455 -18.884 4.069 1.00 0.00 H new ATOM 0 HD2 PRO A 452 9.037 -16.416 2.405 1.00 0.00 H new ATOM 0 HD3 PRO A 452 8.553 -18.066 2.069 1.00 0.00 H new ATOM 861 N LYS A 453 6.901 -14.746 4.960 1.00 0.00 N ATOM 862 CA LYS A 453 6.358 -13.499 5.482 1.00 0.00 C ATOM 863 C LYS A 453 6.620 -12.346 4.519 1.00 0.00 C ATOM 864 O LYS A 453 7.543 -11.555 4.716 1.00 0.00 O ATOM 865 CB LYS A 453 6.968 -13.182 6.849 1.00 0.00 C ATOM 866 CG LYS A 453 6.219 -12.103 7.614 1.00 0.00 C ATOM 867 CD LYS A 453 7.168 -11.230 8.422 1.00 0.00 C ATOM 868 CE LYS A 453 7.030 -9.760 8.051 1.00 0.00 C ATOM 869 NZ LYS A 453 8.051 -9.342 7.052 1.00 0.00 N ATOM 0 H LYS A 453 7.403 -14.650 4.077 1.00 0.00 H new ATOM 0 HA LYS A 453 5.281 -13.622 5.592 1.00 0.00 H new ATOM 0 HB2 LYS A 453 6.989 -14.092 7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 453 8.002 -12.867 6.712 1.00 0.00 H new ATOM 0 HG2 LYS A 453 5.659 -11.482 6.915 1.00 0.00 H new ATOM 0 HG3 LYS A 453 5.493 -12.567 8.281 1.00 0.00 H new ATOM 0 HD2 LYS A 453 6.965 -11.358 9.485 1.00 0.00 H new ATOM 0 HD3 LYS A 453 8.195 -11.554 8.252 1.00 0.00 H new ATOM 0 HE2 LYS A 453 6.033 -9.579 7.649 1.00 0.00 H new ATOM 0 HE3 LYS A 453 7.128 -9.148 8.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 7.861 -8.365 6.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 8.997 -9.394 7.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 8.009 -9.974 6.227 1.00 0.00 H new ATOM 883 N ALA A 454 5.802 -12.256 3.474 1.00 0.00 N ATOM 884 CA ALA A 454 5.946 -11.199 2.481 1.00 0.00 C ATOM 885 C ALA A 454 4.880 -10.124 2.662 1.00 0.00 C ATOM 886 O ALA A 454 3.752 -10.416 3.061 1.00 0.00 O ATOM 887 CB ALA A 454 5.882 -11.784 1.077 1.00 0.00 C ATOM 0 H ALA A 454 5.034 -12.902 3.294 1.00 0.00 H new ATOM 0 HA ALA A 454 6.920 -10.730 2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 454 5.991 -10.984 0.344 1.00 0.00 H new ATOM 0 HB2 ALA A 454 6.687 -12.507 0.947 1.00 0.00 H new ATOM 0 HB3 ALA A 454 4.922 -12.280 0.933 1.00 0.00 H new ATOM 893 N VAL A 455 5.243 -8.882 2.367 1.00 0.00 N ATOM 894 CA VAL A 455 4.317 -7.763 2.496 1.00 0.00 C ATOM 895 C VAL A 455 4.496 -6.766 1.356 1.00 0.00 C ATOM 896 O VAL A 455 5.457 -5.998 1.334 1.00 0.00 O ATOM 897 CB VAL A 455 4.507 -7.030 3.837 1.00 0.00 C ATOM 898 CG1 VAL A 455 3.408 -5.998 4.042 1.00 0.00 C ATOM 899 CG2 VAL A 455 4.539 -8.021 4.989 1.00 0.00 C ATOM 0 H VAL A 455 6.173 -8.624 2.037 1.00 0.00 H new ATOM 0 HA VAL A 455 3.310 -8.179 2.456 1.00 0.00 H new ATOM 0 HB VAL A 455 5.464 -6.508 3.812 1.00 0.00 H new ATOM 0 HG11 VAL A 455 3.559 -5.490 4.995 1.00 0.00 H new ATOM 0 HG12 VAL A 455 3.439 -5.268 3.233 1.00 0.00 H new ATOM 0 HG13 VAL A 455 2.438 -6.495 4.045 1.00 0.00 H new ATOM 0 HG21 VAL A 455 4.674 -7.484 5.928 1.00 0.00 H new ATOM 0 HG22 VAL A 455 3.600 -8.574 5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 455 5.366 -8.717 4.847 1.00 0.00 H new ATOM 909 N VAL A 456 3.562 -6.786 0.409 1.00 0.00 N ATOM 910 CA VAL A 456 3.617 -5.884 -0.735 1.00 0.00 C ATOM 911 C VAL A 456 2.645 -4.721 -0.562 1.00 0.00 C ATOM 912 O VAL A 456 1.475 -4.918 -0.233 1.00 0.00 O ATOM 913 CB VAL A 456 3.293 -6.626 -2.047 1.00 0.00 C ATOM 914 CG1 VAL A 456 1.886 -7.206 -2.008 1.00 0.00 C ATOM 915 CG2 VAL A 456 3.464 -5.698 -3.243 1.00 0.00 C ATOM 0 H VAL A 456 2.760 -7.416 0.412 1.00 0.00 H new ATOM 0 HA VAL A 456 4.634 -5.496 -0.789 1.00 0.00 H new ATOM 0 HB VAL A 456 3.995 -7.453 -2.154 1.00 0.00 H new ATOM 0 HG11 VAL A 456 1.680 -7.725 -2.944 1.00 0.00 H new ATOM 0 HG12 VAL A 456 1.805 -7.909 -1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 456 1.164 -6.401 -1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 456 3.231 -6.239 -4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 456 2.790 -4.847 -3.143 1.00 0.00 H new ATOM 0 HG23 VAL A 456 4.494 -5.342 -3.283 1.00 0.00 H new ATOM 925 N THR A 457 3.138 -3.507 -0.787 1.00 0.00 N ATOM 926 CA THR A 457 2.315 -2.311 -0.657 1.00 0.00 C ATOM 927 C THR A 457 2.414 -1.438 -1.903 1.00 0.00 C ATOM 928 O THR A 457 3.466 -1.366 -2.540 1.00 0.00 O ATOM 929 CB THR A 457 2.726 -1.477 0.572 1.00 0.00 C ATOM 930 OG1 THR A 457 3.053 -2.343 1.665 1.00 0.00 O ATOM 931 CG2 THR A 457 1.605 -0.534 0.984 1.00 0.00 C ATOM 0 H THR A 457 4.104 -3.326 -1.060 1.00 0.00 H new ATOM 0 HA THR A 457 1.286 -2.648 -0.532 1.00 0.00 H new ATOM 0 HB THR A 457 3.600 -0.883 0.305 1.00 0.00 H new ATOM 0 HG1 THR A 457 3.315 -1.805 2.441 1.00 0.00 H new ATOM 0 HG21 THR A 457 1.917 0.045 1.853 1.00 0.00 H new ATOM 0 HG22 THR A 457 1.378 0.143 0.160 1.00 0.00 H new ATOM 0 HG23 THR A 457 0.716 -1.113 1.234 1.00 0.00 H new ATOM 939 N THR A 458 1.314 -0.778 -2.246 1.00 0.00 N ATOM 940 CA THR A 458 1.277 0.090 -3.418 1.00 0.00 C ATOM 941 C THR A 458 0.605 1.420 -3.095 1.00 0.00 C ATOM 942 O THR A 458 -0.599 1.474 -2.846 1.00 0.00 O ATOM 943 CB THR A 458 0.531 -0.578 -4.588 1.00 0.00 C ATOM 944 OG1 THR A 458 1.055 -1.892 -4.817 1.00 0.00 O ATOM 945 CG2 THR A 458 0.663 0.253 -5.857 1.00 0.00 C ATOM 0 H THR A 458 0.436 -0.827 -1.730 1.00 0.00 H new ATOM 0 HA THR A 458 2.311 0.270 -3.712 1.00 0.00 H new ATOM 0 HB THR A 458 -0.524 -0.649 -4.325 1.00 0.00 H new ATOM 0 HG1 THR A 458 0.574 -2.311 -5.561 1.00 0.00 H new ATOM 0 HG21 THR A 458 0.129 -0.238 -6.670 1.00 0.00 H new ATOM 0 HG22 THR A 458 0.239 1.243 -5.689 1.00 0.00 H new ATOM 0 HG23 THR A 458 1.716 0.349 -6.121 1.00 0.00 H new ATOM 953 N TYR A 459 1.393 2.491 -3.102 1.00 0.00 N ATOM 954 CA TYR A 459 0.874 3.823 -2.809 1.00 0.00 C ATOM 955 C TYR A 459 0.365 4.499 -4.079 1.00 0.00 C ATOM 956 O TYR A 459 0.921 4.309 -5.161 1.00 0.00 O ATOM 957 CB TYR A 459 1.959 4.683 -2.158 1.00 0.00 C ATOM 958 CG TYR A 459 1.997 4.573 -0.652 1.00 0.00 C ATOM 959 CD1 TYR A 459 2.237 3.354 -0.031 1.00 0.00 C ATOM 960 CD2 TYR A 459 1.791 5.689 0.151 1.00 0.00 C ATOM 961 CE1 TYR A 459 2.273 3.249 1.347 1.00 0.00 C ATOM 962 CE2 TYR A 459 1.826 5.592 1.529 1.00 0.00 C ATOM 963 CZ TYR A 459 2.066 4.371 2.121 1.00 0.00 C ATOM 964 OH TYR A 459 2.100 4.269 3.493 1.00 0.00 O ATOM 0 H TYR A 459 2.392 2.463 -3.307 1.00 0.00 H new ATOM 0 HA TYR A 459 0.039 3.718 -2.116 1.00 0.00 H new ATOM 0 HB2 TYR A 459 2.930 4.393 -2.559 1.00 0.00 H new ATOM 0 HB3 TYR A 459 1.798 5.725 -2.434 1.00 0.00 H new ATOM 0 HD1 TYR A 459 2.398 2.473 -0.635 1.00 0.00 H new ATOM 0 HD2 TYR A 459 1.601 6.647 -0.310 1.00 0.00 H new ATOM 0 HE1 TYR A 459 2.462 2.294 1.814 1.00 0.00 H new ATOM 0 HE2 TYR A 459 1.666 6.469 2.139 1.00 0.00 H new ATOM 0 HH TYR A 459 1.506 4.942 3.886 1.00 0.00 H new ATOM 974 N GLU A 460 -0.695 5.287 -3.937 1.00 0.00 N ATOM 975 CA GLU A 460 -1.279 5.993 -5.072 1.00 0.00 C ATOM 976 C GLU A 460 -1.731 7.392 -4.669 1.00 0.00 C ATOM 977 O GLU A 460 -2.577 7.553 -3.790 1.00 0.00 O ATOM 978 CB GLU A 460 -2.463 5.204 -5.633 1.00 0.00 C ATOM 979 CG GLU A 460 -2.065 3.899 -6.302 1.00 0.00 C ATOM 980 CD GLU A 460 -2.067 3.995 -7.815 1.00 0.00 C ATOM 981 OE1 GLU A 460 -2.861 4.791 -8.358 1.00 0.00 O ATOM 982 OE2 GLU A 460 -1.273 3.275 -8.457 1.00 0.00 O ATOM 0 H GLU A 460 -1.167 5.453 -3.048 1.00 0.00 H new ATOM 0 HA GLU A 460 -0.514 6.087 -5.843 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -3.161 4.989 -4.824 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -2.993 5.825 -6.355 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -1.071 3.609 -5.961 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -2.751 3.111 -5.991 1.00 0.00 H new ATOM 989 N GLY A 461 -1.162 8.403 -5.319 1.00 0.00 N ATOM 990 CA GLY A 461 -1.520 9.775 -5.014 1.00 0.00 C ATOM 991 C GLY A 461 -0.504 10.454 -4.117 1.00 0.00 C ATOM 992 O GLY A 461 0.003 9.847 -3.174 1.00 0.00 O ATOM 0 H GLY A 461 -0.460 8.296 -6.051 1.00 0.00 H new ATOM 0 HA2 GLY A 461 -1.614 10.338 -5.943 1.00 0.00 H new ATOM 0 HA3 GLY A 461 -2.497 9.793 -4.530 1.00 0.00 H new ATOM 996 N LYS A 462 -0.209 11.717 -4.409 1.00 0.00 N ATOM 997 CA LYS A 462 0.752 12.479 -3.621 1.00 0.00 C ATOM 998 C LYS A 462 0.044 13.315 -2.560 1.00 0.00 C ATOM 999 O LYS A 462 -1.123 13.678 -2.717 1.00 0.00 O ATOM 1000 CB LYS A 462 1.583 13.386 -4.530 1.00 0.00 C ATOM 1001 CG LYS A 462 2.270 12.643 -5.666 1.00 0.00 C ATOM 1002 CD LYS A 462 3.034 13.595 -6.571 1.00 0.00 C ATOM 1003 CE LYS A 462 4.519 13.602 -6.247 1.00 0.00 C ATOM 1004 NZ LYS A 462 5.346 13.952 -7.434 1.00 0.00 N ATOM 0 H LYS A 462 -0.622 12.234 -5.185 1.00 0.00 H new ATOM 0 HA LYS A 462 1.414 11.773 -3.120 1.00 0.00 H new ATOM 0 HB2 LYS A 462 0.937 14.157 -4.949 1.00 0.00 H new ATOM 0 HB3 LYS A 462 2.338 13.895 -3.930 1.00 0.00 H new ATOM 0 HG2 LYS A 462 2.955 11.901 -5.255 1.00 0.00 H new ATOM 0 HG3 LYS A 462 1.526 12.101 -6.251 1.00 0.00 H new ATOM 0 HD2 LYS A 462 2.889 13.304 -7.611 1.00 0.00 H new ATOM 0 HD3 LYS A 462 2.632 14.602 -6.463 1.00 0.00 H new ATOM 0 HE2 LYS A 462 4.712 14.316 -5.447 1.00 0.00 H new ATOM 0 HE3 LYS A 462 4.814 12.620 -5.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 6.352 13.946 -7.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 5.182 13.256 -8.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 5.083 14.899 -7.773 1.00 0.00 H new ATOM 1018 N HIS A 463 0.756 13.617 -1.479 1.00 0.00 N ATOM 1019 CA HIS A 463 0.194 14.409 -0.391 1.00 0.00 C ATOM 1020 C HIS A 463 0.175 15.891 -0.751 1.00 0.00 C ATOM 1021 O HIS A 463 1.117 16.408 -1.351 1.00 0.00 O ATOM 1022 CB HIS A 463 1.003 14.195 0.891 1.00 0.00 C ATOM 1023 CG HIS A 463 1.004 12.775 1.366 1.00 0.00 C ATOM 1024 ND1 HIS A 463 -0.025 12.225 2.098 1.00 0.00 N ATOM 1025 CD2 HIS A 463 1.918 11.788 1.210 1.00 0.00 C ATOM 1026 CE1 HIS A 463 0.253 10.964 2.373 1.00 0.00 C ATOM 1027 NE2 HIS A 463 1.427 10.674 1.844 1.00 0.00 N ATOM 0 H HIS A 463 1.723 13.325 -1.333 1.00 0.00 H new ATOM 0 HA HIS A 463 -0.832 14.080 -0.226 1.00 0.00 H new ATOM 0 HB2 HIS A 463 2.031 14.513 0.720 1.00 0.00 H new ATOM 0 HB3 HIS A 463 0.599 14.833 1.677 1.00 0.00 H new ATOM 0 HD2 HIS A 463 2.858 11.863 0.684 1.00 0.00 H new ATOM 0 HE1 HIS A 463 -0.373 10.286 2.934 1.00 0.00 H new ATOM 0 HE2 HIS A 463 1.894 9.769 1.898 1.00 0.00 H new ATOM 1035 N ASN A 464 -0.906 16.570 -0.378 1.00 0.00 N ATOM 1036 CA ASN A 464 -1.049 17.993 -0.662 1.00 0.00 C ATOM 1037 C ASN A 464 -1.189 18.795 0.630 1.00 0.00 C ATOM 1038 O ASN A 464 -1.831 19.846 0.652 1.00 0.00 O ATOM 1039 CB ASN A 464 -2.263 18.238 -1.561 1.00 0.00 C ATOM 1040 CG ASN A 464 -3.517 17.571 -1.032 1.00 0.00 C ATOM 1041 OD1 ASN A 464 -3.964 16.554 -1.562 1.00 0.00 O ATOM 1042 ND2 ASN A 464 -4.093 18.145 0.019 1.00 0.00 N ATOM 0 H ASN A 464 -1.694 16.158 0.121 1.00 0.00 H new ATOM 0 HA ASN A 464 -0.150 18.325 -1.180 1.00 0.00 H new ATOM 0 HB2 ASN A 464 -2.435 19.311 -1.650 1.00 0.00 H new ATOM 0 HB3 ASN A 464 -2.051 17.865 -2.563 1.00 0.00 H new ATOM 0 HD21 ASN A 464 -4.941 17.743 0.419 1.00 0.00 H new ATOM 0 HD22 ASN A 464 -3.687 18.988 0.426 1.00 0.00 H new ATOM 1049 N HIS A 465 -0.585 18.293 1.702 1.00 0.00 N ATOM 1050 CA HIS A 465 -0.643 18.965 2.995 1.00 0.00 C ATOM 1051 C HIS A 465 0.691 18.852 3.727 1.00 0.00 C ATOM 1052 O HIS A 465 1.331 17.800 3.712 1.00 0.00 O ATOM 1053 CB HIS A 465 -1.762 18.373 3.854 1.00 0.00 C ATOM 1054 CG HIS A 465 -1.625 16.901 4.091 1.00 0.00 C ATOM 1055 ND1 HIS A 465 -1.219 16.367 5.295 1.00 0.00 N ATOM 1056 CD2 HIS A 465 -1.851 15.847 3.272 1.00 0.00 C ATOM 1057 CE1 HIS A 465 -1.202 15.049 5.207 1.00 0.00 C ATOM 1058 NE2 HIS A 465 -1.582 14.708 3.991 1.00 0.00 N ATOM 0 H HIS A 465 -0.050 17.424 1.701 1.00 0.00 H new ATOM 0 HA HIS A 465 -0.852 20.020 2.818 1.00 0.00 H new ATOM 0 HB2 HIS A 465 -1.780 18.887 4.815 1.00 0.00 H new ATOM 0 HB3 HIS A 465 -2.720 18.567 3.371 1.00 0.00 H new ATOM 0 HD2 HIS A 465 -2.181 15.893 2.245 1.00 0.00 H new ATOM 0 HE1 HIS A 465 -0.924 14.367 5.997 1.00 0.00 H new ATOM 0 HE2 HIS A 465 -1.663 13.753 3.641 1.00 0.00 H new