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 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 459 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 434 CYS SG : rot -65:sc= 0.703 USER MOD Set 2.2: A 436 THR OG1 : rot 172:sc= 0.759 USER MOD Set 2.3: A 439 CYS SG : rot -131:sc= -4.57! USER MOD Set 2.4: A 463 HIS : no HD1:sc= 0 X(o=-4.6,f=-4.9) USER MOD Set 2.5: A 465 HIS : no HD1:sc= -1.51 K(o=-4.6,f=-6.5) USER MOD Set 3.1: A 417 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 444 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.24) 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 419 GLN :FLIP amide:sc= -0.496 F(o=-1.3,f=-0.5) USER MOD Single : A 420 LYS NZ :NH3+ -150:sc= -0.525 (180deg=-1.78!) USER MOD Single : A 423 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 425 ASN : amide:sc= -0.0751 K(o=-0.075,f=-1.5) USER MOD Single : A 427 TYR OH : rot 180:sc= 0 USER MOD Single : A 430 SER OG : rot 180:sc= 0 USER MOD Single : A 431 TYR OH : rot -15:sc= -1.49 USER MOD Single : A 432 TYR OH : rot 180:sc= 0 USER MOD Single : A 433 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 435 THR OG1 : rot -69:sc= 0.686 USER MOD Single : A 450 THR OG1 : rot 180:sc= 0.0133 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 462 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 464 ASN : amide:sc= -0.124 K(o=-0.12,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 185 N TYR A 412 1.312 11.419 8.604 1.00 0.00 N ATOM 186 CA TYR A 412 0.060 11.620 7.885 1.00 0.00 C ATOM 187 C TYR A 412 -1.101 10.955 8.618 1.00 0.00 C ATOM 188 O TYR A 412 -0.910 10.308 9.648 1.00 0.00 O ATOM 189 CB TYR A 412 0.168 11.060 6.466 1.00 0.00 C ATOM 190 CG TYR A 412 1.412 11.507 5.731 1.00 0.00 C ATOM 191 CD1 TYR A 412 1.573 12.831 5.343 1.00 0.00 C ATOM 192 CD2 TYR A 412 2.423 10.606 5.426 1.00 0.00 C ATOM 193 CE1 TYR A 412 2.709 13.244 4.671 1.00 0.00 C ATOM 194 CE2 TYR A 412 3.561 11.012 4.756 1.00 0.00 C ATOM 195 CZ TYR A 412 3.699 12.330 4.380 1.00 0.00 C ATOM 196 OH TYR A 412 4.831 12.737 3.711 1.00 0.00 O ATOM 0 HA TYR A 412 -0.132 12.692 7.833 1.00 0.00 H new ATOM 0 HB2 TYR A 412 0.155 9.971 6.512 1.00 0.00 H new ATOM 0 HB3 TYR A 412 -0.710 11.365 5.896 1.00 0.00 H new ATOM 0 HD1 TYR A 412 0.799 13.549 5.570 1.00 0.00 H new ATOM 0 HD2 TYR A 412 2.318 9.571 5.717 1.00 0.00 H new ATOM 0 HE1 TYR A 412 2.820 14.277 4.376 1.00 0.00 H new ATOM 0 HE2 TYR A 412 4.339 10.299 4.528 1.00 0.00 H new ATOM 0 HH TYR A 412 5.430 11.971 3.586 1.00 0.00 H new ATOM 206 N ARG A 413 -2.305 11.120 8.080 1.00 0.00 N ATOM 207 CA ARG A 413 -3.498 10.536 8.683 1.00 0.00 C ATOM 208 C ARG A 413 -4.203 9.606 7.701 1.00 0.00 C ATOM 209 O ARG A 413 -4.851 10.059 6.757 1.00 0.00 O ATOM 210 CB ARG A 413 -4.456 11.640 9.142 1.00 0.00 C ATOM 211 CG ARG A 413 -4.584 11.744 10.653 1.00 0.00 C ATOM 212 CD ARG A 413 -5.572 12.826 11.055 1.00 0.00 C ATOM 213 NE ARG A 413 -6.935 12.504 10.642 1.00 0.00 N ATOM 214 CZ ARG A 413 -8.020 13.080 11.154 1.00 0.00 C ATOM 215 NH1 ARG A 413 -7.905 14.007 12.098 1.00 0.00 N ATOM 216 NH2 ARG A 413 -9.224 12.729 10.722 1.00 0.00 N ATOM 0 H ARG A 413 -2.481 11.653 7.228 1.00 0.00 H new ATOM 0 HA ARG A 413 -3.190 9.951 9.550 1.00 0.00 H new ATOM 0 HB2 ARG A 413 -4.111 12.596 8.748 1.00 0.00 H new ATOM 0 HB3 ARG A 413 -5.441 11.456 8.714 1.00 0.00 H new ATOM 0 HG2 ARG A 413 -4.908 10.785 11.059 1.00 0.00 H new ATOM 0 HG3 ARG A 413 -3.608 11.961 11.088 1.00 0.00 H new ATOM 0 HD2 ARG A 413 -5.543 12.960 12.136 1.00 0.00 H new ATOM 0 HD3 ARG A 413 -5.273 13.774 10.609 1.00 0.00 H new ATOM 0 HE ARG A 413 -7.063 11.796 9.919 1.00 0.00 H new ATOM 0 HH11 ARG A 413 -6.982 14.281 12.434 1.00 0.00 H new ATOM 0 HH12 ARG A 413 -8.740 14.445 12.487 1.00 0.00 H new ATOM 0 HH21 ARG A 413 -9.318 12.017 9.997 1.00 0.00 H new ATOM 0 HH22 ARG A 413 -10.055 13.171 11.115 1.00 0.00 H new ATOM 230 N TRP A 414 -4.073 8.303 7.929 1.00 0.00 N ATOM 231 CA TRP A 414 -4.697 7.309 7.064 1.00 0.00 C ATOM 232 C TRP A 414 -5.952 6.735 7.713 1.00 0.00 C ATOM 233 O TRP A 414 -6.154 6.867 8.920 1.00 0.00 O ATOM 234 CB TRP A 414 -3.710 6.182 6.751 1.00 0.00 C ATOM 235 CG TRP A 414 -2.407 6.670 6.196 1.00 0.00 C ATOM 236 CD1 TRP A 414 -1.317 7.081 6.905 1.00 0.00 C ATOM 237 CD2 TRP A 414 -2.060 6.799 4.812 1.00 0.00 C ATOM 238 NE1 TRP A 414 -0.311 7.457 6.047 1.00 0.00 N ATOM 239 CE2 TRP A 414 -0.744 7.293 4.757 1.00 0.00 C ATOM 240 CE3 TRP A 414 -2.735 6.545 3.614 1.00 0.00 C ATOM 241 CZ2 TRP A 414 -0.089 7.537 3.552 1.00 0.00 C ATOM 242 CZ3 TRP A 414 -2.084 6.787 2.419 1.00 0.00 C ATOM 243 CH2 TRP A 414 -0.773 7.278 2.396 1.00 0.00 C ATOM 0 H TRP A 414 -3.541 7.911 8.706 1.00 0.00 H new ATOM 0 HA TRP A 414 -4.982 7.801 6.134 1.00 0.00 H new ATOM 0 HB2 TRP A 414 -3.519 5.613 7.661 1.00 0.00 H new ATOM 0 HB3 TRP A 414 -4.167 5.497 6.037 1.00 0.00 H new ATOM 0 HD1 TRP A 414 -1.253 7.107 7.983 1.00 0.00 H new ATOM 0 HE1 TRP A 414 0.608 7.802 6.325 1.00 0.00 H new ATOM 0 HE3 TRP A 414 -3.747 6.167 3.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 414 0.922 7.917 3.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 414 -2.595 6.594 1.487 1.00 0.00 H new ATOM 0 HH2 TRP A 414 -0.292 7.456 1.446 1.00 0.00 H new ATOM 254 N ARG A 415 -6.791 6.098 6.903 1.00 0.00 N ATOM 255 CA ARG A 415 -8.027 5.504 7.398 1.00 0.00 C ATOM 256 C ARG A 415 -8.498 4.383 6.477 1.00 0.00 C ATOM 257 O ARG A 415 -8.438 4.504 5.254 1.00 0.00 O ATOM 258 CB ARG A 415 -9.116 6.569 7.524 1.00 0.00 C ATOM 259 CG ARG A 415 -10.302 6.132 8.369 1.00 0.00 C ATOM 260 CD ARG A 415 -10.027 6.322 9.851 1.00 0.00 C ATOM 261 NE ARG A 415 -9.661 7.700 10.168 1.00 0.00 N ATOM 262 CZ ARG A 415 -9.284 8.108 11.378 1.00 0.00 C ATOM 263 NH1 ARG A 415 -9.222 7.248 12.386 1.00 0.00 N ATOM 264 NH2 ARG A 415 -8.967 9.380 11.579 1.00 0.00 N ATOM 0 H ARG A 415 -6.638 5.980 5.902 1.00 0.00 H new ATOM 0 HA ARG A 415 -7.828 5.081 8.383 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -8.683 7.469 7.959 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -9.469 6.835 6.528 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -11.184 6.706 8.085 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -10.526 5.084 8.170 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -10.912 6.041 10.423 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -9.223 5.653 10.159 1.00 0.00 H new ATOM 0 HE ARG A 415 -9.696 8.391 9.418 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -9.464 6.268 12.236 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -8.932 7.566 13.311 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -9.012 10.045 10.807 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -8.678 9.693 12.506 1.00 0.00 H new ATOM 278 N LYS A 416 -8.969 3.290 7.072 1.00 0.00 N ATOM 279 CA LYS A 416 -9.450 2.149 6.304 1.00 0.00 C ATOM 280 C LYS A 416 -10.735 2.498 5.558 1.00 0.00 C ATOM 281 O LYS A 416 -11.548 3.287 6.038 1.00 0.00 O ATOM 282 CB LYS A 416 -9.689 0.951 7.227 1.00 0.00 C ATOM 283 CG LYS A 416 -9.129 -0.354 6.684 1.00 0.00 C ATOM 284 CD LYS A 416 -8.386 -1.134 7.757 1.00 0.00 C ATOM 285 CE LYS A 416 -9.344 -1.899 8.655 1.00 0.00 C ATOM 286 NZ LYS A 416 -8.644 -2.948 9.447 1.00 0.00 N ATOM 0 H LYS A 416 -9.027 3.172 8.083 1.00 0.00 H new ATOM 0 HA LYS A 416 -8.687 1.887 5.571 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -9.238 1.155 8.198 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -10.761 0.837 7.391 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -9.942 -0.963 6.288 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -8.455 -0.144 5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -7.692 -1.831 7.287 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -7.790 -0.448 8.360 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -9.841 -1.204 9.332 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -10.121 -2.361 8.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -9.332 -3.447 10.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -8.191 -3.626 8.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -7.919 -2.504 10.047 1.00 0.00 H new ATOM 300 N TYR A 417 -10.910 1.907 4.380 1.00 0.00 N ATOM 301 CA TYR A 417 -12.095 2.157 3.568 1.00 0.00 C ATOM 302 C TYR A 417 -12.609 0.865 2.941 1.00 0.00 C ATOM 303 O TYR A 417 -13.805 0.578 2.981 1.00 0.00 O ATOM 304 CB TYR A 417 -11.781 3.180 2.475 1.00 0.00 C ATOM 305 CG TYR A 417 -10.747 2.705 1.478 1.00 0.00 C ATOM 306 CD1 TYR A 417 -9.435 2.472 1.869 1.00 0.00 C ATOM 307 CD2 TYR A 417 -11.085 2.489 0.148 1.00 0.00 C ATOM 308 CE1 TYR A 417 -8.487 2.037 0.962 1.00 0.00 C ATOM 309 CE2 TYR A 417 -10.143 2.053 -0.765 1.00 0.00 C ATOM 310 CZ TYR A 417 -8.846 1.830 -0.354 1.00 0.00 C ATOM 311 OH TYR A 417 -7.906 1.396 -1.260 1.00 0.00 O ATOM 0 H TYR A 417 -10.246 1.252 3.967 1.00 0.00 H new ATOM 0 HA TYR A 417 -12.873 2.557 4.218 1.00 0.00 H new ATOM 0 HB2 TYR A 417 -12.701 3.424 1.943 1.00 0.00 H new ATOM 0 HB3 TYR A 417 -11.428 4.100 2.941 1.00 0.00 H new ATOM 0 HD1 TYR A 417 -9.151 2.633 2.898 1.00 0.00 H new ATOM 0 HD2 TYR A 417 -12.100 2.664 -0.178 1.00 0.00 H new ATOM 0 HE1 TYR A 417 -7.471 1.860 1.282 1.00 0.00 H new ATOM 0 HE2 TYR A 417 -10.422 1.888 -1.795 1.00 0.00 H new ATOM 0 HH TYR A 417 -8.322 1.299 -2.142 1.00 0.00 H new ATOM 321 N GLY A 418 -11.697 0.092 2.359 1.00 0.00 N ATOM 322 CA GLY A 418 -12.079 -1.159 1.731 1.00 0.00 C ATOM 323 C GLY A 418 -11.152 -2.301 2.098 1.00 0.00 C ATOM 324 O GLY A 418 -9.933 -2.127 2.148 1.00 0.00 O ATOM 0 H GLY A 418 -10.702 0.310 2.311 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -13.097 -1.413 2.025 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -12.082 -1.032 0.648 1.00 0.00 H new ATOM 328 N GLN A 419 -11.728 -3.469 2.353 1.00 0.00 N ATOM 329 CA GLN A 419 -10.946 -4.644 2.718 1.00 0.00 C ATOM 330 C GLN A 419 -11.540 -5.907 2.102 1.00 0.00 C ATOM 331 O GLN A 419 -12.611 -6.359 2.505 1.00 0.00 O ATOM 332 CB GLN A 419 -10.879 -4.786 4.239 1.00 0.00 C ATOM 333 CG GLN A 419 -12.243 -4.775 4.910 1.00 0.00 C ATOM 334 CD GLN A 419 -12.506 -3.492 5.676 1.00 0.00 C ATOM 335 OE1 GLN A 419 -11.853 -3.344 6.822 1.00 0.00 O flip ATOM 336 NE2 GLN A 419 -13.287 -2.647 5.243 1.00 0.00 N flip ATOM 0 H GLN A 419 -12.735 -3.628 2.314 1.00 0.00 H new ATOM 0 HA GLN A 419 -9.937 -4.513 2.328 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -10.369 -5.717 4.487 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -10.276 -3.974 4.646 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -13.017 -4.908 4.154 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -12.315 -5.622 5.592 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -13.767 -2.803 4.357 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -13.455 -1.790 5.770 1.00 0.00 H new ATOM 345 N LYS A 420 -10.838 -6.471 1.125 1.00 0.00 N ATOM 346 CA LYS A 420 -11.297 -7.681 0.455 1.00 0.00 C ATOM 347 C LYS A 420 -10.633 -8.918 1.049 1.00 0.00 C ATOM 348 O LYS A 420 -9.687 -8.812 1.830 1.00 0.00 O ATOM 349 CB LYS A 420 -11.006 -7.602 -1.046 1.00 0.00 C ATOM 350 CG LYS A 420 -9.521 -7.557 -1.376 1.00 0.00 C ATOM 351 CD LYS A 420 -9.204 -8.358 -2.629 1.00 0.00 C ATOM 352 CE LYS A 420 -9.902 -7.782 -3.849 1.00 0.00 C ATOM 353 NZ LYS A 420 -11.251 -8.377 -4.051 1.00 0.00 N ATOM 0 H LYS A 420 -9.949 -6.109 0.780 1.00 0.00 H new ATOM 0 HA LYS A 420 -12.374 -7.762 0.605 1.00 0.00 H new ATOM 0 HB2 LYS A 420 -11.454 -8.464 -1.540 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -11.488 -6.714 -1.455 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -9.210 -6.522 -1.516 1.00 0.00 H new ATOM 0 HG3 LYS A 420 -8.949 -7.951 -0.536 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -8.127 -8.365 -2.795 1.00 0.00 H new ATOM 0 HD3 LYS A 420 -9.512 -9.394 -2.488 1.00 0.00 H new ATOM 0 HE2 LYS A 420 -9.995 -6.702 -3.737 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -9.291 -7.960 -4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 -11.479 -8.384 -5.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -11.258 -9.352 -3.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 -11.960 -7.812 -3.541 1.00 0.00 H new ATOM 367 N VAL A 421 -11.133 -10.091 0.672 1.00 0.00 N ATOM 368 CA VAL A 421 -10.588 -11.348 1.168 1.00 0.00 C ATOM 369 C VAL A 421 -10.218 -12.276 0.015 1.00 0.00 C ATOM 370 O VAL A 421 -10.848 -12.251 -1.042 1.00 0.00 O ATOM 371 CB VAL A 421 -11.587 -12.066 2.096 1.00 0.00 C ATOM 372 CG1 VAL A 421 -12.868 -12.408 1.349 1.00 0.00 C ATOM 373 CG2 VAL A 421 -10.960 -13.316 2.697 1.00 0.00 C ATOM 0 H VAL A 421 -11.914 -10.196 0.025 1.00 0.00 H new ATOM 0 HA VAL A 421 -9.690 -11.105 1.737 1.00 0.00 H new ATOM 0 HB VAL A 421 -11.842 -11.389 2.911 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -13.558 -12.914 2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -13.329 -11.492 0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -12.636 -13.063 0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 421 -11.682 -13.808 3.349 1.00 0.00 H new ATOM 0 HG22 VAL A 421 -10.670 -13.998 1.898 1.00 0.00 H new ATOM 0 HG23 VAL A 421 -10.079 -13.039 3.276 1.00 0.00 H new ATOM 383 N VAL A 422 -9.192 -13.095 0.225 1.00 0.00 N ATOM 384 CA VAL A 422 -8.738 -14.029 -0.797 1.00 0.00 C ATOM 385 C VAL A 422 -9.144 -15.459 -0.453 1.00 0.00 C ATOM 386 O VAL A 422 -9.061 -15.878 0.700 1.00 0.00 O ATOM 387 CB VAL A 422 -7.210 -13.971 -0.975 1.00 0.00 C ATOM 388 CG1 VAL A 422 -6.780 -14.793 -2.181 1.00 0.00 C ATOM 389 CG2 VAL A 422 -6.744 -12.530 -1.110 1.00 0.00 C ATOM 0 H VAL A 422 -8.660 -13.130 1.094 1.00 0.00 H new ATOM 0 HA VAL A 422 -9.215 -13.732 -1.731 1.00 0.00 H new ATOM 0 HB VAL A 422 -6.743 -14.399 -0.088 1.00 0.00 H new ATOM 0 HG11 VAL A 422 -5.697 -14.740 -2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 422 -7.080 -15.831 -2.039 1.00 0.00 H new ATOM 0 HG13 VAL A 422 -7.255 -14.398 -3.079 1.00 0.00 H new ATOM 0 HG21 VAL A 422 -5.661 -12.508 -1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 422 -7.219 -12.074 -1.979 1.00 0.00 H new ATOM 0 HG23 VAL A 422 -7.017 -11.974 -0.213 1.00 0.00 H new ATOM 399 N LYS A 423 -9.582 -16.203 -1.464 1.00 0.00 N ATOM 400 CA LYS A 423 -10.001 -17.587 -1.270 1.00 0.00 C ATOM 401 C LYS A 423 -8.792 -18.509 -1.151 1.00 0.00 C ATOM 402 O LYS A 423 -8.249 -18.967 -2.158 1.00 0.00 O ATOM 403 CB LYS A 423 -10.892 -18.040 -2.428 1.00 0.00 C ATOM 404 CG LYS A 423 -12.064 -17.110 -2.694 1.00 0.00 C ATOM 405 CD LYS A 423 -13.038 -17.714 -3.692 1.00 0.00 C ATOM 406 CE LYS A 423 -12.770 -17.218 -5.103 1.00 0.00 C ATOM 407 NZ LYS A 423 -14.002 -17.224 -5.939 1.00 0.00 N ATOM 0 H LYS A 423 -9.656 -15.871 -2.426 1.00 0.00 H new ATOM 0 HA LYS A 423 -10.570 -17.642 -0.342 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -10.288 -18.117 -3.332 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -11.273 -19.038 -2.213 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -12.583 -16.900 -1.759 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -11.695 -16.158 -3.075 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -12.959 -18.801 -3.666 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -14.059 -17.461 -3.404 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -12.365 -16.207 -5.061 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -12.012 -17.846 -5.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -13.776 -16.879 -6.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -14.375 -18.193 -6.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -14.717 -16.605 -5.508 1.00 0.00 H new ATOM 421 N GLY A 424 -8.376 -18.779 0.081 1.00 0.00 N ATOM 422 CA GLY A 424 -7.235 -19.646 0.306 1.00 0.00 C ATOM 423 C GLY A 424 -6.282 -19.092 1.346 1.00 0.00 C ATOM 424 O GLY A 424 -5.879 -19.802 2.269 1.00 0.00 O ATOM 0 H GLY A 424 -8.809 -18.413 0.929 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -7.586 -20.627 0.625 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -6.700 -19.789 -0.633 1.00 0.00 H new ATOM 428 N ASN A 425 -5.917 -17.822 1.197 1.00 0.00 N ATOM 429 CA ASN A 425 -5.004 -17.176 2.131 1.00 0.00 C ATOM 430 C ASN A 425 -5.717 -16.831 3.438 1.00 0.00 C ATOM 431 O ASN A 425 -6.829 -16.302 3.423 1.00 0.00 O ATOM 432 CB ASN A 425 -4.417 -15.908 1.508 1.00 0.00 C ATOM 433 CG ASN A 425 -3.616 -16.199 0.253 1.00 0.00 C ATOM 434 OD1 ASN A 425 -3.448 -17.354 -0.137 1.00 0.00 O ATOM 435 ND2 ASN A 425 -3.115 -15.148 -0.385 1.00 0.00 N ATOM 0 H ASN A 425 -6.240 -17.221 0.439 1.00 0.00 H new ATOM 0 HA ASN A 425 -4.195 -17.873 2.351 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -5.225 -15.217 1.268 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -3.777 -15.411 2.237 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -2.566 -15.281 -1.234 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -3.279 -14.208 -0.026 1.00 0.00 H new ATOM 442 N PRO A 426 -5.087 -17.125 4.590 1.00 0.00 N ATOM 443 CA PRO A 426 -5.673 -16.839 5.902 1.00 0.00 C ATOM 444 C PRO A 426 -5.622 -15.356 6.250 1.00 0.00 C ATOM 445 O PRO A 426 -6.478 -14.848 6.975 1.00 0.00 O ATOM 446 CB PRO A 426 -4.794 -17.644 6.859 1.00 0.00 C ATOM 447 CG PRO A 426 -3.469 -17.713 6.182 1.00 0.00 C ATOM 448 CD PRO A 426 -3.758 -17.757 4.705 1.00 0.00 C ATOM 0 HA PRO A 426 -6.730 -17.102 5.945 1.00 0.00 H new ATOM 0 HB2 PRO A 426 -4.718 -17.158 7.832 1.00 0.00 H new ATOM 0 HB3 PRO A 426 -5.204 -18.639 7.032 1.00 0.00 H new ATOM 0 HG2 PRO A 426 -2.857 -16.847 6.434 1.00 0.00 H new ATOM 0 HG3 PRO A 426 -2.915 -18.597 6.498 1.00 0.00 H new ATOM 0 HD2 PRO A 426 -3.005 -17.214 4.133 1.00 0.00 H new ATOM 0 HD3 PRO A 426 -3.767 -18.780 4.329 1.00 0.00 H new ATOM 456 N TYR A 427 -4.613 -14.664 5.728 1.00 0.00 N ATOM 457 CA TYR A 427 -4.450 -13.239 5.984 1.00 0.00 C ATOM 458 C TYR A 427 -5.331 -12.413 5.047 1.00 0.00 C ATOM 459 O TYR A 427 -5.214 -12.517 3.826 1.00 0.00 O ATOM 460 CB TYR A 427 -2.985 -12.835 5.811 1.00 0.00 C ATOM 461 CG TYR A 427 -2.024 -13.675 6.623 1.00 0.00 C ATOM 462 CD1 TYR A 427 -2.231 -13.882 7.982 1.00 0.00 C ATOM 463 CD2 TYR A 427 -0.912 -14.259 6.031 1.00 0.00 C ATOM 464 CE1 TYR A 427 -1.355 -14.650 8.727 1.00 0.00 C ATOM 465 CE2 TYR A 427 -0.032 -15.028 6.771 1.00 0.00 C ATOM 466 CZ TYR A 427 -0.259 -15.220 8.117 1.00 0.00 C ATOM 467 OH TYR A 427 0.614 -15.985 8.855 1.00 0.00 O ATOM 0 H TYR A 427 -3.897 -15.069 5.125 1.00 0.00 H new ATOM 0 HA TYR A 427 -4.757 -13.041 7.011 1.00 0.00 H new ATOM 0 HB2 TYR A 427 -2.718 -12.910 4.757 1.00 0.00 H new ATOM 0 HB3 TYR A 427 -2.869 -11.789 6.095 1.00 0.00 H new ATOM 0 HD1 TYR A 427 -3.089 -13.436 8.463 1.00 0.00 H new ATOM 0 HD2 TYR A 427 -0.731 -14.111 4.977 1.00 0.00 H new ATOM 0 HE1 TYR A 427 -1.529 -14.802 9.782 1.00 0.00 H new ATOM 0 HE2 TYR A 427 0.829 -15.476 6.297 1.00 0.00 H new ATOM 0 HH TYR A 427 1.332 -16.314 8.275 1.00 0.00 H new ATOM 477 N PRO A 428 -6.228 -11.577 5.603 1.00 0.00 N ATOM 478 CA PRO A 428 -7.124 -10.738 4.803 1.00 0.00 C ATOM 479 C PRO A 428 -6.384 -9.591 4.120 1.00 0.00 C ATOM 480 O PRO A 428 -5.220 -9.328 4.415 1.00 0.00 O ATOM 481 CB PRO A 428 -8.117 -10.195 5.833 1.00 0.00 C ATOM 482 CG PRO A 428 -7.367 -10.202 7.118 1.00 0.00 C ATOM 483 CD PRO A 428 -6.440 -11.385 7.052 1.00 0.00 C ATOM 0 HA PRO A 428 -7.593 -11.298 3.994 1.00 0.00 H new ATOM 0 HB2 PRO A 428 -8.448 -9.190 5.573 1.00 0.00 H new ATOM 0 HB3 PRO A 428 -9.009 -10.819 5.891 1.00 0.00 H new ATOM 0 HG2 PRO A 428 -6.808 -9.275 7.248 1.00 0.00 H new ATOM 0 HG3 PRO A 428 -8.047 -10.286 7.966 1.00 0.00 H new ATOM 0 HD2 PRO A 428 -5.502 -11.190 7.572 1.00 0.00 H new ATOM 0 HD3 PRO A 428 -6.883 -12.268 7.513 1.00 0.00 H new ATOM 491 N ARG A 429 -7.070 -8.913 3.205 1.00 0.00 N ATOM 492 CA ARG A 429 -6.478 -7.795 2.479 1.00 0.00 C ATOM 493 C ARG A 429 -7.079 -6.470 2.937 1.00 0.00 C ATOM 494 O ARG A 429 -8.208 -6.133 2.581 1.00 0.00 O ATOM 495 CB ARG A 429 -6.683 -7.970 0.974 1.00 0.00 C ATOM 496 CG ARG A 429 -5.530 -8.678 0.281 1.00 0.00 C ATOM 497 CD ARG A 429 -5.961 -9.276 -1.050 1.00 0.00 C ATOM 498 NE ARG A 429 -4.838 -9.871 -1.771 1.00 0.00 N ATOM 499 CZ ARG A 429 -4.904 -10.287 -3.034 1.00 0.00 C ATOM 500 NH1 ARG A 429 -6.035 -10.173 -3.719 1.00 0.00 N ATOM 501 NH2 ARG A 429 -3.835 -10.816 -3.613 1.00 0.00 N ATOM 0 H ARG A 429 -8.036 -9.118 2.949 1.00 0.00 H new ATOM 0 HA ARG A 429 -5.409 -7.781 2.692 1.00 0.00 H new ATOM 0 HB2 ARG A 429 -7.600 -8.534 0.804 1.00 0.00 H new ATOM 0 HB3 ARG A 429 -6.823 -6.990 0.518 1.00 0.00 H new ATOM 0 HG2 ARG A 429 -4.715 -7.973 0.117 1.00 0.00 H new ATOM 0 HG3 ARG A 429 -5.145 -9.467 0.927 1.00 0.00 H new ATOM 0 HD2 ARG A 429 -6.724 -10.035 -0.877 1.00 0.00 H new ATOM 0 HD3 ARG A 429 -6.417 -8.501 -1.665 1.00 0.00 H new ATOM 0 HE ARG A 429 -3.951 -9.974 -1.278 1.00 0.00 H new ATOM 0 HH11 ARG A 429 -6.859 -9.765 -3.278 1.00 0.00 H new ATOM 0 HH12 ARG A 429 -6.080 -10.493 -4.686 1.00 0.00 H new ATOM 0 HH21 ARG A 429 -2.963 -10.904 -3.091 1.00 0.00 H new ATOM 0 HH22 ARG A 429 -3.884 -11.135 -4.581 1.00 0.00 H new ATOM 515 N SER A 430 -6.316 -5.722 3.728 1.00 0.00 N ATOM 516 CA SER A 430 -6.772 -4.433 4.234 1.00 0.00 C ATOM 517 C SER A 430 -6.207 -3.290 3.397 1.00 0.00 C ATOM 518 O SER A 430 -5.074 -3.359 2.921 1.00 0.00 O ATOM 519 CB SER A 430 -6.363 -4.260 5.697 1.00 0.00 C ATOM 520 OG SER A 430 -6.643 -5.430 6.447 1.00 0.00 O ATOM 0 H SER A 430 -5.379 -5.987 4.032 1.00 0.00 H new ATOM 0 HA SER A 430 -7.859 -4.408 4.164 1.00 0.00 H new ATOM 0 HB2 SER A 430 -5.299 -4.033 5.756 1.00 0.00 H new ATOM 0 HB3 SER A 430 -6.894 -3.412 6.129 1.00 0.00 H new ATOM 0 HG SER A 430 -6.371 -5.294 7.379 1.00 0.00 H new ATOM 526 N TYR A 431 -7.003 -2.240 3.223 1.00 0.00 N ATOM 527 CA TYR A 431 -6.580 -1.082 2.442 1.00 0.00 C ATOM 528 C TYR A 431 -6.878 0.215 3.185 1.00 0.00 C ATOM 529 O TYR A 431 -7.964 0.390 3.740 1.00 0.00 O ATOM 530 CB TYR A 431 -7.279 -1.075 1.082 1.00 0.00 C ATOM 531 CG TYR A 431 -7.215 -2.402 0.359 1.00 0.00 C ATOM 532 CD1 TYR A 431 -6.031 -3.125 0.296 1.00 0.00 C ATOM 533 CD2 TYR A 431 -8.340 -2.932 -0.259 1.00 0.00 C ATOM 534 CE1 TYR A 431 -5.970 -4.338 -0.363 1.00 0.00 C ATOM 535 CE2 TYR A 431 -8.288 -4.145 -0.920 1.00 0.00 C ATOM 536 CZ TYR A 431 -7.100 -4.843 -0.969 1.00 0.00 C ATOM 537 OH TYR A 431 -7.043 -6.050 -1.627 1.00 0.00 O ATOM 0 H TYR A 431 -7.943 -2.167 3.611 1.00 0.00 H new ATOM 0 HA TYR A 431 -5.503 -1.153 2.290 1.00 0.00 H new ATOM 0 HB2 TYR A 431 -8.324 -0.797 1.222 1.00 0.00 H new ATOM 0 HB3 TYR A 431 -6.826 -0.307 0.455 1.00 0.00 H new ATOM 0 HD1 TYR A 431 -5.143 -2.733 0.770 1.00 0.00 H new ATOM 0 HD2 TYR A 431 -9.272 -2.387 -0.223 1.00 0.00 H new ATOM 0 HE1 TYR A 431 -5.041 -4.888 -0.403 1.00 0.00 H new ATOM 0 HE2 TYR A 431 -9.172 -4.543 -1.395 1.00 0.00 H new ATOM 0 HH TYR A 431 -6.107 -6.296 -1.779 1.00 0.00 H new ATOM 547 N TYR A 432 -5.909 1.124 3.190 1.00 0.00 N ATOM 548 CA TYR A 432 -6.066 2.408 3.862 1.00 0.00 C ATOM 549 C TYR A 432 -6.006 3.554 2.857 1.00 0.00 C ATOM 550 O TYR A 432 -5.824 3.333 1.660 1.00 0.00 O ATOM 551 CB TYR A 432 -4.981 2.588 4.926 1.00 0.00 C ATOM 552 CG TYR A 432 -4.949 1.478 5.950 1.00 0.00 C ATOM 553 CD1 TYR A 432 -4.294 0.281 5.686 1.00 0.00 C ATOM 554 CD2 TYR A 432 -5.573 1.625 7.183 1.00 0.00 C ATOM 555 CE1 TYR A 432 -4.263 -0.737 6.620 1.00 0.00 C ATOM 556 CE2 TYR A 432 -5.546 0.611 8.122 1.00 0.00 C ATOM 557 CZ TYR A 432 -4.891 -0.567 7.836 1.00 0.00 C ATOM 558 OH TYR A 432 -4.862 -1.578 8.769 1.00 0.00 O ATOM 0 H TYR A 432 -5.005 0.995 2.735 1.00 0.00 H new ATOM 0 HA TYR A 432 -7.042 2.422 4.346 1.00 0.00 H new ATOM 0 HB2 TYR A 432 -4.009 2.647 4.436 1.00 0.00 H new ATOM 0 HB3 TYR A 432 -5.139 3.538 5.437 1.00 0.00 H new ATOM 0 HD1 TYR A 432 -3.801 0.144 4.735 1.00 0.00 H new ATOM 0 HD2 TYR A 432 -6.088 2.547 7.411 1.00 0.00 H new ATOM 0 HE1 TYR A 432 -3.750 -1.661 6.399 1.00 0.00 H new ATOM 0 HE2 TYR A 432 -6.036 0.741 9.076 1.00 0.00 H new ATOM 0 HH TYR A 432 -5.350 -1.297 9.571 1.00 0.00 H new ATOM 568 N LYS A 433 -6.159 4.780 3.350 1.00 0.00 N ATOM 569 CA LYS A 433 -6.123 5.956 2.489 1.00 0.00 C ATOM 570 C LYS A 433 -5.983 7.234 3.309 1.00 0.00 C ATOM 571 O LYS A 433 -6.720 7.450 4.271 1.00 0.00 O ATOM 572 CB LYS A 433 -7.387 6.023 1.630 1.00 0.00 C ATOM 573 CG LYS A 433 -8.673 6.015 2.440 1.00 0.00 C ATOM 574 CD LYS A 433 -9.872 6.393 1.587 1.00 0.00 C ATOM 575 CE LYS A 433 -9.730 7.797 1.019 1.00 0.00 C ATOM 576 NZ LYS A 433 -11.052 8.435 0.774 1.00 0.00 N ATOM 0 H LYS A 433 -6.309 4.984 4.338 1.00 0.00 H new ATOM 0 HA LYS A 433 -5.252 5.870 1.839 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -7.356 6.927 1.022 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -7.395 5.177 0.943 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -8.828 5.025 2.868 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -8.584 6.712 3.273 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -9.980 5.678 0.771 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -10.780 6.332 2.186 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -9.153 8.411 1.711 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -9.169 7.756 0.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -10.910 9.390 0.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -11.593 7.863 0.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -11.578 8.499 1.669 1.00 0.00 H new ATOM 590 N CYS A 434 -5.034 8.078 2.918 1.00 0.00 N ATOM 591 CA CYS A 434 -4.796 9.338 3.611 1.00 0.00 C ATOM 592 C CYS A 434 -5.985 10.279 3.445 1.00 0.00 C ATOM 593 O CYS A 434 -6.119 10.953 2.423 1.00 0.00 O ATOM 594 CB CYS A 434 -3.525 10.002 3.076 1.00 0.00 C ATOM 595 SG CYS A 434 -2.813 11.240 4.184 1.00 0.00 S ATOM 0 H CYS A 434 -4.416 7.911 2.123 1.00 0.00 H new ATOM 0 HA CYS A 434 -4.668 9.126 4.673 1.00 0.00 H new ATOM 0 HB2 CYS A 434 -2.779 9.231 2.884 1.00 0.00 H new ATOM 0 HB3 CYS A 434 -3.750 10.473 2.119 1.00 0.00 H new ATOM 0 HG CYS A 434 -3.640 12.235 4.312 1.00 0.00 H new ATOM 600 N THR A 435 -6.849 10.318 4.454 1.00 0.00 N ATOM 601 CA THR A 435 -8.030 11.174 4.419 1.00 0.00 C ATOM 602 C THR A 435 -7.773 12.503 5.122 1.00 0.00 C ATOM 603 O THR A 435 -8.330 12.775 6.185 1.00 0.00 O ATOM 604 CB THR A 435 -9.242 10.484 5.073 1.00 0.00 C ATOM 605 OG1 THR A 435 -10.324 11.413 5.201 1.00 0.00 O ATOM 606 CG2 THR A 435 -8.875 9.933 6.443 1.00 0.00 C ATOM 0 H THR A 435 -6.754 9.766 5.307 1.00 0.00 H new ATOM 0 HA THR A 435 -8.251 11.363 3.368 1.00 0.00 H new ATOM 0 HB THR A 435 -9.549 9.655 4.435 1.00 0.00 H new ATOM 0 HG1 THR A 435 -10.095 12.092 5.870 1.00 0.00 H new ATOM 0 HG21 THR A 435 -9.746 9.450 6.886 1.00 0.00 H new ATOM 0 HG22 THR A 435 -8.070 9.205 6.339 1.00 0.00 H new ATOM 0 HG23 THR A 435 -8.545 10.748 7.087 1.00 0.00 H new ATOM 614 N THR A 436 -6.927 13.331 4.518 1.00 0.00 N ATOM 615 CA THR A 436 -6.596 14.634 5.082 1.00 0.00 C ATOM 616 C THR A 436 -7.391 15.743 4.394 1.00 0.00 C ATOM 617 O THR A 436 -7.869 15.568 3.274 1.00 0.00 O ATOM 618 CB THR A 436 -5.089 14.937 4.958 1.00 0.00 C ATOM 619 OG1 THR A 436 -4.400 13.792 4.443 1.00 0.00 O ATOM 620 CG2 THR A 436 -4.498 15.321 6.307 1.00 0.00 C ATOM 0 H THR A 436 -6.458 13.122 3.637 1.00 0.00 H new ATOM 0 HA THR A 436 -6.861 14.601 6.139 1.00 0.00 H new ATOM 0 HB THR A 436 -4.967 15.776 4.273 1.00 0.00 H new ATOM 0 HG1 THR A 436 -3.471 14.032 4.243 1.00 0.00 H new ATOM 0 HG21 THR A 436 -3.434 15.530 6.192 1.00 0.00 H new ATOM 0 HG22 THR A 436 -5.003 16.209 6.686 1.00 0.00 H new ATOM 0 HG23 THR A 436 -4.633 14.499 7.010 1.00 0.00 H new ATOM 628 N PRO A 437 -7.540 16.903 5.056 1.00 0.00 N ATOM 629 CA PRO A 437 -8.281 18.038 4.497 1.00 0.00 C ATOM 630 C PRO A 437 -7.792 18.418 3.102 1.00 0.00 C ATOM 631 O PRO A 437 -6.894 19.247 2.954 1.00 0.00 O ATOM 632 CB PRO A 437 -8.003 19.171 5.488 1.00 0.00 C ATOM 633 CG PRO A 437 -7.694 18.481 6.772 1.00 0.00 C ATOM 634 CD PRO A 437 -7.003 17.200 6.396 1.00 0.00 C ATOM 0 HA PRO A 437 -9.340 17.812 4.376 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -7.167 19.789 5.159 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -8.866 19.829 5.590 1.00 0.00 H new ATOM 0 HG2 PRO A 437 -7.055 19.099 7.403 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -8.604 18.282 7.337 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -5.920 17.318 6.378 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -7.224 16.401 7.104 1.00 0.00 H new ATOM 642 N GLY A 438 -8.388 17.804 2.086 1.00 0.00 N ATOM 643 CA GLY A 438 -7.997 18.087 0.717 1.00 0.00 C ATOM 644 C GLY A 438 -7.177 16.970 0.104 1.00 0.00 C ATOM 645 O GLY A 438 -7.181 16.784 -1.112 1.00 0.00 O ATOM 0 H GLY A 438 -9.134 17.116 2.185 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -8.890 18.250 0.114 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -7.421 19.012 0.691 1.00 0.00 H new ATOM 649 N CYS A 439 -6.472 16.223 0.949 1.00 0.00 N ATOM 650 CA CYS A 439 -5.643 15.117 0.483 1.00 0.00 C ATOM 651 C CYS A 439 -6.465 13.839 0.351 1.00 0.00 C ATOM 652 O CYS A 439 -7.160 13.437 1.283 1.00 0.00 O ATOM 653 CB CYS A 439 -4.476 14.890 1.445 1.00 0.00 C ATOM 654 SG CYS A 439 -3.353 13.564 0.944 1.00 0.00 S ATOM 0 H CYS A 439 -6.459 16.364 1.959 1.00 0.00 H new ATOM 0 HA CYS A 439 -5.250 15.377 -0.500 1.00 0.00 H new ATOM 0 HB2 CYS A 439 -3.909 15.816 1.536 1.00 0.00 H new ATOM 0 HB3 CYS A 439 -4.874 14.661 2.434 1.00 0.00 H new ATOM 0 HG CYS A 439 -3.142 12.770 1.952 1.00 0.00 H new ATOM 659 N GLY A 440 -6.380 13.205 -0.814 1.00 0.00 N ATOM 660 CA GLY A 440 -7.120 11.978 -1.047 1.00 0.00 C ATOM 661 C GLY A 440 -6.241 10.860 -1.574 1.00 0.00 C ATOM 662 O GLY A 440 -6.439 10.380 -2.690 1.00 0.00 O ATOM 0 H GLY A 440 -5.812 13.519 -1.601 1.00 0.00 H new ATOM 0 HA2 GLY A 440 -7.590 11.659 -0.117 1.00 0.00 H new ATOM 0 HA3 GLY A 440 -7.922 12.171 -1.759 1.00 0.00 H new ATOM 666 N VAL A 441 -5.268 10.444 -0.769 1.00 0.00 N ATOM 667 CA VAL A 441 -4.355 9.377 -1.161 1.00 0.00 C ATOM 668 C VAL A 441 -4.875 8.018 -0.705 1.00 0.00 C ATOM 669 O VAL A 441 -5.439 7.892 0.382 1.00 0.00 O ATOM 670 CB VAL A 441 -2.946 9.600 -0.577 1.00 0.00 C ATOM 671 CG1 VAL A 441 -1.960 8.593 -1.152 1.00 0.00 C ATOM 672 CG2 VAL A 441 -2.475 11.023 -0.839 1.00 0.00 C ATOM 0 H VAL A 441 -5.092 10.830 0.159 1.00 0.00 H new ATOM 0 HA VAL A 441 -4.294 9.394 -2.249 1.00 0.00 H new ATOM 0 HB VAL A 441 -2.996 9.450 0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 441 -0.972 8.768 -0.727 1.00 0.00 H new ATOM 0 HG12 VAL A 441 -2.287 7.583 -0.906 1.00 0.00 H new ATOM 0 HG13 VAL A 441 -1.914 8.706 -2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 441 -1.479 11.160 -0.419 1.00 0.00 H new ATOM 0 HG22 VAL A 441 -2.444 11.204 -1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 441 -3.165 11.726 -0.373 1.00 0.00 H new ATOM 682 N ARG A 442 -4.683 7.002 -1.540 1.00 0.00 N ATOM 683 CA ARG A 442 -5.134 5.653 -1.218 1.00 0.00 C ATOM 684 C ARG A 442 -3.981 4.658 -1.309 1.00 0.00 C ATOM 685 O ARG A 442 -3.229 4.649 -2.283 1.00 0.00 O ATOM 686 CB ARG A 442 -6.261 5.230 -2.163 1.00 0.00 C ATOM 687 CG ARG A 442 -7.420 6.211 -2.203 1.00 0.00 C ATOM 688 CD ARG A 442 -8.501 5.758 -3.171 1.00 0.00 C ATOM 689 NE ARG A 442 -9.639 6.674 -3.189 1.00 0.00 N ATOM 690 CZ ARG A 442 -9.640 7.840 -3.833 1.00 0.00 C ATOM 691 NH1 ARG A 442 -8.567 8.235 -4.507 1.00 0.00 N ATOM 692 NH2 ARG A 442 -10.717 8.613 -3.800 1.00 0.00 N ATOM 0 H ARG A 442 -4.218 7.087 -2.444 1.00 0.00 H new ATOM 0 HA ARG A 442 -5.509 5.657 -0.194 1.00 0.00 H new ATOM 0 HB2 ARG A 442 -5.857 5.116 -3.169 1.00 0.00 H new ATOM 0 HB3 ARG A 442 -6.633 4.252 -1.857 1.00 0.00 H new ATOM 0 HG2 ARG A 442 -7.845 6.315 -1.205 1.00 0.00 H new ATOM 0 HG3 ARG A 442 -7.055 7.195 -2.498 1.00 0.00 H new ATOM 0 HD2 ARG A 442 -8.081 5.682 -4.174 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -8.843 4.761 -2.892 1.00 0.00 H new ATOM 0 HE ARG A 442 -10.481 6.405 -2.679 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -7.736 7.645 -4.534 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -8.574 9.129 -4.998 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -11.543 8.314 -3.282 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -10.719 9.506 -4.293 1.00 0.00 H new ATOM 706 N LYS A 443 -3.850 3.819 -0.287 1.00 0.00 N ATOM 707 CA LYS A 443 -2.790 2.818 -0.249 1.00 0.00 C ATOM 708 C LYS A 443 -3.358 1.437 0.060 1.00 0.00 C ATOM 709 O LYS A 443 -4.441 1.313 0.631 1.00 0.00 O ATOM 710 CB LYS A 443 -1.738 3.196 0.795 1.00 0.00 C ATOM 711 CG LYS A 443 -2.270 3.210 2.219 1.00 0.00 C ATOM 712 CD LYS A 443 -1.186 3.582 3.215 1.00 0.00 C ATOM 713 CE LYS A 443 -1.616 3.287 4.643 1.00 0.00 C ATOM 714 NZ LYS A 443 -0.518 3.535 5.618 1.00 0.00 N ATOM 0 H LYS A 443 -4.465 3.812 0.527 1.00 0.00 H new ATOM 0 HA LYS A 443 -2.319 2.786 -1.232 1.00 0.00 H new ATOM 0 HB2 LYS A 443 -0.908 2.492 0.733 1.00 0.00 H new ATOM 0 HB3 LYS A 443 -1.339 4.182 0.556 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -3.093 3.920 2.294 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -2.672 2.228 2.468 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -0.275 3.029 2.987 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -0.948 4.641 3.117 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -2.475 3.907 4.899 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -1.939 2.249 4.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -0.853 3.322 6.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 0.293 2.925 5.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -0.226 4.532 5.566 1.00 0.00 H new ATOM 728 N HIS A 444 -2.618 0.399 -0.321 1.00 0.00 N ATOM 729 CA HIS A 444 -3.049 -0.974 -0.085 1.00 0.00 C ATOM 730 C HIS A 444 -1.977 -1.761 0.663 1.00 0.00 C ATOM 731 O HIS A 444 -0.782 -1.571 0.434 1.00 0.00 O ATOM 732 CB HIS A 444 -3.374 -1.665 -1.410 1.00 0.00 C ATOM 733 CG HIS A 444 -4.200 -0.827 -2.335 1.00 0.00 C ATOM 734 ND1 HIS A 444 -3.725 -0.334 -3.533 1.00 0.00 N ATOM 735 CD2 HIS A 444 -5.480 -0.393 -2.235 1.00 0.00 C ATOM 736 CE1 HIS A 444 -4.674 0.366 -4.128 1.00 0.00 C ATOM 737 NE2 HIS A 444 -5.749 0.344 -3.362 1.00 0.00 N ATOM 0 H HIS A 444 -1.718 0.483 -0.794 1.00 0.00 H new ATOM 0 HA HIS A 444 -3.948 -0.944 0.531 1.00 0.00 H new ATOM 0 HB2 HIS A 444 -2.443 -1.932 -1.909 1.00 0.00 H new ATOM 0 HB3 HIS A 444 -3.904 -2.595 -1.205 1.00 0.00 H new ATOM 0 HD2 HIS A 444 -6.161 -0.590 -1.421 1.00 0.00 H new ATOM 0 HE1 HIS A 444 -4.586 0.870 -5.079 1.00 0.00 H new ATOM 0 HE2 HIS A 444 -6.636 0.801 -3.573 1.00 0.00 H new ATOM 746 N VAL A 445 -2.412 -2.642 1.557 1.00 0.00 N ATOM 747 CA VAL A 445 -1.490 -3.456 2.339 1.00 0.00 C ATOM 748 C VAL A 445 -1.803 -4.941 2.183 1.00 0.00 C ATOM 749 O VAL A 445 -2.510 -5.526 3.002 1.00 0.00 O ATOM 750 CB VAL A 445 -1.543 -3.087 3.833 1.00 0.00 C ATOM 751 CG1 VAL A 445 -0.453 -3.816 4.604 1.00 0.00 C ATOM 752 CG2 VAL A 445 -1.419 -1.582 4.016 1.00 0.00 C ATOM 0 H VAL A 445 -3.398 -2.810 1.758 1.00 0.00 H new ATOM 0 HA VAL A 445 -0.489 -3.255 1.958 1.00 0.00 H new ATOM 0 HB VAL A 445 -2.508 -3.401 4.231 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -0.507 -3.542 5.658 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -0.592 -4.892 4.501 1.00 0.00 H new ATOM 0 HG13 VAL A 445 0.523 -3.537 4.206 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -1.459 -1.340 5.078 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -0.470 -1.242 3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -2.240 -1.084 3.500 1.00 0.00 H new ATOM 762 N GLU A 446 -1.271 -5.544 1.124 1.00 0.00 N ATOM 763 CA GLU A 446 -1.493 -6.962 0.861 1.00 0.00 C ATOM 764 C GLU A 446 -0.495 -7.822 1.629 1.00 0.00 C ATOM 765 O GLU A 446 0.610 -7.380 1.941 1.00 0.00 O ATOM 766 CB GLU A 446 -1.384 -7.247 -0.638 1.00 0.00 C ATOM 767 CG GLU A 446 -2.715 -7.176 -1.370 1.00 0.00 C ATOM 768 CD GLU A 446 -2.548 -6.963 -2.862 1.00 0.00 C ATOM 769 OE1 GLU A 446 -1.529 -7.422 -3.418 1.00 0.00 O ATOM 770 OE2 GLU A 446 -3.440 -6.336 -3.474 1.00 0.00 O ATOM 0 H GLU A 446 -0.684 -5.074 0.435 1.00 0.00 H new ATOM 0 HA GLU A 446 -2.498 -7.215 1.200 1.00 0.00 H new ATOM 0 HB2 GLU A 446 -0.694 -6.532 -1.086 1.00 0.00 H new ATOM 0 HB3 GLU A 446 -0.953 -8.238 -0.780 1.00 0.00 H new ATOM 0 HG2 GLU A 446 -3.270 -8.098 -1.198 1.00 0.00 H new ATOM 0 HG3 GLU A 446 -3.311 -6.363 -0.955 1.00 0.00 H new ATOM 777 N ARG A 447 -0.892 -9.054 1.929 1.00 0.00 N ATOM 778 CA ARG A 447 -0.034 -9.978 2.660 1.00 0.00 C ATOM 779 C ARG A 447 0.085 -11.308 1.924 1.00 0.00 C ATOM 780 O ARG A 447 -0.782 -12.174 2.045 1.00 0.00 O ATOM 781 CB ARG A 447 -0.581 -10.210 4.070 1.00 0.00 C ATOM 782 CG ARG A 447 -0.237 -9.095 5.046 1.00 0.00 C ATOM 783 CD ARG A 447 -0.419 -9.541 6.487 1.00 0.00 C ATOM 784 NE ARG A 447 -0.808 -8.435 7.358 1.00 0.00 N ATOM 785 CZ ARG A 447 -1.993 -7.832 7.306 1.00 0.00 C ATOM 786 NH1 ARG A 447 -2.906 -8.223 6.425 1.00 0.00 N ATOM 787 NH2 ARG A 447 -2.266 -6.834 8.135 1.00 0.00 N ATOM 0 H ARG A 447 -1.804 -9.436 1.677 1.00 0.00 H new ATOM 0 HA ARG A 447 0.958 -9.532 2.732 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -1.665 -10.315 4.018 1.00 0.00 H new ATOM 0 HB3 ARG A 447 -0.188 -11.152 4.453 1.00 0.00 H new ATOM 0 HG2 ARG A 447 0.794 -8.778 4.889 1.00 0.00 H new ATOM 0 HG3 ARG A 447 -0.870 -8.230 4.849 1.00 0.00 H new ATOM 0 HD2 ARG A 447 -1.178 -10.322 6.532 1.00 0.00 H new ATOM 0 HD3 ARG A 447 0.510 -9.979 6.851 1.00 0.00 H new ATOM 0 HE ARG A 447 -0.132 -8.105 8.047 1.00 0.00 H new ATOM 0 HH11 ARG A 447 -2.701 -8.989 5.784 1.00 0.00 H new ATOM 0 HH12 ARG A 447 -3.813 -7.757 6.389 1.00 0.00 H new ATOM 0 HH21 ARG A 447 -1.568 -6.528 8.813 1.00 0.00 H new ATOM 0 HH22 ARG A 447 -3.174 -6.372 8.095 1.00 0.00 H new ATOM 801 N ALA A 448 1.161 -11.463 1.160 1.00 0.00 N ATOM 802 CA ALA A 448 1.392 -12.688 0.403 1.00 0.00 C ATOM 803 C ALA A 448 1.667 -13.866 1.332 1.00 0.00 C ATOM 804 O ALA A 448 2.494 -13.774 2.240 1.00 0.00 O ATOM 805 CB ALA A 448 2.546 -12.498 -0.570 1.00 0.00 C ATOM 0 H ALA A 448 1.887 -10.755 1.049 1.00 0.00 H new ATOM 0 HA ALA A 448 0.488 -12.911 -0.163 1.00 0.00 H new ATOM 0 HB1 ALA A 448 2.707 -13.420 -1.128 1.00 0.00 H new ATOM 0 HB2 ALA A 448 2.308 -11.691 -1.263 1.00 0.00 H new ATOM 0 HB3 ALA A 448 3.451 -12.246 -0.017 1.00 0.00 H new ATOM 811 N ALA A 449 0.968 -14.972 1.097 1.00 0.00 N ATOM 812 CA ALA A 449 1.135 -16.170 1.911 1.00 0.00 C ATOM 813 C ALA A 449 2.224 -17.079 1.345 1.00 0.00 C ATOM 814 O ALA A 449 2.775 -17.919 2.058 1.00 0.00 O ATOM 815 CB ALA A 449 -0.183 -16.924 2.013 1.00 0.00 C ATOM 0 H ALA A 449 0.280 -15.063 0.349 1.00 0.00 H new ATOM 0 HA ALA A 449 1.445 -15.859 2.909 1.00 0.00 H new ATOM 0 HB1 ALA A 449 -0.045 -17.817 2.623 1.00 0.00 H new ATOM 0 HB2 ALA A 449 -0.935 -16.282 2.473 1.00 0.00 H new ATOM 0 HB3 ALA A 449 -0.514 -17.214 1.016 1.00 0.00 H new ATOM 821 N THR A 450 2.530 -16.908 0.061 1.00 0.00 N ATOM 822 CA THR A 450 3.554 -17.716 -0.596 1.00 0.00 C ATOM 823 C THR A 450 4.858 -17.707 0.193 1.00 0.00 C ATOM 824 O THR A 450 5.554 -18.720 0.275 1.00 0.00 O ATOM 825 CB THR A 450 3.831 -17.214 -2.026 1.00 0.00 C ATOM 826 OG1 THR A 450 3.711 -15.788 -2.076 1.00 0.00 O ATOM 827 CG2 THR A 450 2.863 -17.844 -3.017 1.00 0.00 C ATOM 0 H THR A 450 2.084 -16.218 -0.544 1.00 0.00 H new ATOM 0 HA THR A 450 3.169 -18.735 -0.641 1.00 0.00 H new ATOM 0 HB THR A 450 4.846 -17.503 -2.299 1.00 0.00 H new ATOM 0 HG1 THR A 450 3.890 -15.476 -2.988 1.00 0.00 H new ATOM 0 HG21 THR A 450 3.077 -17.475 -4.020 1.00 0.00 H new ATOM 0 HG22 THR A 450 2.976 -18.928 -2.997 1.00 0.00 H new ATOM 0 HG23 THR A 450 1.841 -17.581 -2.745 1.00 0.00 H new ATOM 835 N ASP A 451 5.186 -16.557 0.776 1.00 0.00 N ATOM 836 CA ASP A 451 6.405 -16.417 1.561 1.00 0.00 C ATOM 837 C ASP A 451 6.103 -16.515 3.054 1.00 0.00 C ATOM 838 O ASP A 451 4.952 -16.389 3.472 1.00 0.00 O ATOM 839 CB ASP A 451 7.087 -15.082 1.248 1.00 0.00 C ATOM 840 CG ASP A 451 8.522 -15.259 0.791 1.00 0.00 C ATOM 841 OD1 ASP A 451 8.772 -16.147 -0.049 1.00 0.00 O ATOM 842 OD2 ASP A 451 9.395 -14.509 1.275 1.00 0.00 O ATOM 0 H ASP A 451 4.623 -15.709 0.718 1.00 0.00 H new ATOM 0 HA ASP A 451 7.079 -17.230 1.292 1.00 0.00 H new ATOM 0 HB2 ASP A 451 6.523 -14.562 0.473 1.00 0.00 H new ATOM 0 HB3 ASP A 451 7.067 -14.450 2.136 1.00 0.00 H new ATOM 847 N PRO A 452 7.138 -16.741 3.883 1.00 0.00 N ATOM 848 CA PRO A 452 6.976 -16.855 5.335 1.00 0.00 C ATOM 849 C PRO A 452 6.194 -15.685 5.924 1.00 0.00 C ATOM 850 O PRO A 452 5.531 -15.823 6.953 1.00 0.00 O ATOM 851 CB PRO A 452 8.414 -16.853 5.855 1.00 0.00 C ATOM 852 CG PRO A 452 9.225 -17.382 4.721 1.00 0.00 C ATOM 853 CD PRO A 452 8.544 -16.904 3.467 1.00 0.00 C ATOM 0 HA PRO A 452 6.410 -17.744 5.613 1.00 0.00 H new ATOM 0 HB2 PRO A 452 8.733 -15.849 6.136 1.00 0.00 H new ATOM 0 HB3 PRO A 452 8.516 -17.479 6.741 1.00 0.00 H new ATOM 0 HG2 PRO A 452 10.251 -17.017 4.771 1.00 0.00 H new ATOM 0 HG3 PRO A 452 9.272 -18.471 4.749 1.00 0.00 H new ATOM 0 HD2 PRO A 452 8.969 -15.965 3.111 1.00 0.00 H new ATOM 0 HD3 PRO A 452 8.642 -17.626 2.656 1.00 0.00 H new ATOM 861 N LYS A 453 6.277 -14.533 5.266 1.00 0.00 N ATOM 862 CA LYS A 453 5.577 -13.338 5.723 1.00 0.00 C ATOM 863 C LYS A 453 5.813 -12.171 4.771 1.00 0.00 C ATOM 864 O LYS A 453 6.592 -11.264 5.063 1.00 0.00 O ATOM 865 CB LYS A 453 6.037 -12.960 7.133 1.00 0.00 C ATOM 866 CG LYS A 453 7.549 -12.876 7.278 1.00 0.00 C ATOM 867 CD LYS A 453 7.997 -11.482 7.684 1.00 0.00 C ATOM 868 CE LYS A 453 9.279 -11.079 6.975 1.00 0.00 C ATOM 869 NZ LYS A 453 9.284 -9.633 6.616 1.00 0.00 N ATOM 0 H LYS A 453 6.822 -14.402 4.414 1.00 0.00 H new ATOM 0 HA LYS A 453 4.510 -13.558 5.742 1.00 0.00 H new ATOM 0 HB2 LYS A 453 5.600 -11.998 7.403 1.00 0.00 H new ATOM 0 HB3 LYS A 453 5.653 -13.695 7.841 1.00 0.00 H new ATOM 0 HG2 LYS A 453 7.884 -13.598 8.023 1.00 0.00 H new ATOM 0 HG3 LYS A 453 8.021 -13.150 6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 453 7.211 -10.764 7.451 1.00 0.00 H new ATOM 0 HD3 LYS A 453 8.151 -11.448 8.763 1.00 0.00 H new ATOM 0 HE2 LYS A 453 10.133 -11.297 7.617 1.00 0.00 H new ATOM 0 HE3 LYS A 453 9.398 -11.678 6.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 10.175 -9.398 6.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 8.484 -9.430 5.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 9.196 -9.061 7.480 1.00 0.00 H new ATOM 883 N ALA A 454 5.135 -12.200 3.627 1.00 0.00 N ATOM 884 CA ALA A 454 5.271 -11.144 2.633 1.00 0.00 C ATOM 885 C ALA A 454 4.241 -10.043 2.857 1.00 0.00 C ATOM 886 O ALA A 454 3.041 -10.308 2.937 1.00 0.00 O ATOM 887 CB ALA A 454 5.139 -11.721 1.229 1.00 0.00 C ATOM 0 H ALA A 454 4.487 -12.943 3.367 1.00 0.00 H new ATOM 0 HA ALA A 454 6.262 -10.702 2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 454 5.243 -10.921 0.496 1.00 0.00 H new ATOM 0 HB2 ALA A 454 5.919 -12.465 1.067 1.00 0.00 H new ATOM 0 HB3 ALA A 454 4.161 -12.190 1.119 1.00 0.00 H new ATOM 893 N VAL A 455 4.716 -8.806 2.957 1.00 0.00 N ATOM 894 CA VAL A 455 3.836 -7.663 3.171 1.00 0.00 C ATOM 895 C VAL A 455 4.095 -6.572 2.139 1.00 0.00 C ATOM 896 O VAL A 455 4.858 -5.638 2.384 1.00 0.00 O ATOM 897 CB VAL A 455 4.016 -7.072 4.583 1.00 0.00 C ATOM 898 CG1 VAL A 455 2.985 -5.985 4.844 1.00 0.00 C ATOM 899 CG2 VAL A 455 3.929 -8.164 5.639 1.00 0.00 C ATOM 0 H VAL A 455 5.706 -8.569 2.893 1.00 0.00 H new ATOM 0 HA VAL A 455 2.814 -8.025 3.065 1.00 0.00 H new ATOM 0 HB VAL A 455 5.007 -6.622 4.642 1.00 0.00 H new ATOM 0 HG11 VAL A 455 3.129 -5.580 5.846 1.00 0.00 H new ATOM 0 HG12 VAL A 455 3.103 -5.188 4.110 1.00 0.00 H new ATOM 0 HG13 VAL A 455 1.983 -6.407 4.763 1.00 0.00 H new ATOM 0 HG21 VAL A 455 4.059 -7.725 6.628 1.00 0.00 H new ATOM 0 HG22 VAL A 455 2.954 -8.648 5.582 1.00 0.00 H new ATOM 0 HG23 VAL A 455 4.712 -8.902 5.464 1.00 0.00 H new ATOM 909 N VAL A 456 3.452 -6.696 0.981 1.00 0.00 N ATOM 910 CA VAL A 456 3.613 -5.720 -0.090 1.00 0.00 C ATOM 911 C VAL A 456 2.676 -4.532 0.106 1.00 0.00 C ATOM 912 O VAL A 456 1.529 -4.695 0.523 1.00 0.00 O ATOM 913 CB VAL A 456 3.349 -6.353 -1.470 1.00 0.00 C ATOM 914 CG1 VAL A 456 1.920 -6.871 -1.561 1.00 0.00 C ATOM 915 CG2 VAL A 456 3.632 -5.353 -2.583 1.00 0.00 C ATOM 0 H VAL A 456 2.816 -7.462 0.762 1.00 0.00 H new ATOM 0 HA VAL A 456 4.645 -5.372 -0.053 1.00 0.00 H new ATOM 0 HB VAL A 456 4.025 -7.199 -1.592 1.00 0.00 H new ATOM 0 HG11 VAL A 456 1.755 -7.314 -2.543 1.00 0.00 H new ATOM 0 HG12 VAL A 456 1.757 -7.625 -0.791 1.00 0.00 H new ATOM 0 HG13 VAL A 456 1.224 -6.045 -1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 456 3.439 -5.820 -3.549 1.00 0.00 H new ATOM 0 HG22 VAL A 456 2.985 -4.484 -2.464 1.00 0.00 H new ATOM 0 HG23 VAL A 456 4.674 -5.039 -2.533 1.00 0.00 H new ATOM 925 N THR A 457 3.172 -3.337 -0.198 1.00 0.00 N ATOM 926 CA THR A 457 2.379 -2.122 -0.055 1.00 0.00 C ATOM 927 C THR A 457 2.386 -1.306 -1.344 1.00 0.00 C ATOM 928 O THR A 457 3.376 -1.294 -2.077 1.00 0.00 O ATOM 929 CB THR A 457 2.900 -1.244 1.096 1.00 0.00 C ATOM 930 OG1 THR A 457 3.042 -2.027 2.287 1.00 0.00 O ATOM 931 CG2 THR A 457 1.956 -0.080 1.360 1.00 0.00 C ATOM 0 H THR A 457 4.119 -3.184 -0.545 1.00 0.00 H new ATOM 0 HA THR A 457 1.359 -2.435 0.169 1.00 0.00 H new ATOM 0 HB THR A 457 3.872 -0.846 0.806 1.00 0.00 H new ATOM 0 HG1 THR A 457 3.376 -1.460 3.013 1.00 0.00 H new ATOM 0 HG21 THR A 457 2.346 0.526 2.178 1.00 0.00 H new ATOM 0 HG22 THR A 457 1.873 0.532 0.462 1.00 0.00 H new ATOM 0 HG23 THR A 457 0.972 -0.464 1.630 1.00 0.00 H new ATOM 939 N THR A 458 1.277 -0.628 -1.614 1.00 0.00 N ATOM 940 CA THR A 458 1.153 0.192 -2.813 1.00 0.00 C ATOM 941 C THR A 458 0.616 1.578 -2.478 1.00 0.00 C ATOM 942 O THR A 458 -0.372 1.715 -1.757 1.00 0.00 O ATOM 943 CB THR A 458 0.226 -0.469 -3.850 1.00 0.00 C ATOM 944 OG1 THR A 458 0.264 -1.894 -3.705 1.00 0.00 O ATOM 945 CG2 THR A 458 0.638 -0.088 -5.264 1.00 0.00 C ATOM 0 H THR A 458 0.449 -0.630 -1.018 1.00 0.00 H new ATOM 0 HA THR A 458 2.153 0.286 -3.237 1.00 0.00 H new ATOM 0 HB THR A 458 -0.789 -0.113 -3.675 1.00 0.00 H new ATOM 0 HG1 THR A 458 -0.330 -2.306 -4.367 1.00 0.00 H new ATOM 0 HG21 THR A 458 -0.031 -0.567 -5.979 1.00 0.00 H new ATOM 0 HG22 THR A 458 0.580 0.994 -5.381 1.00 0.00 H new ATOM 0 HG23 THR A 458 1.661 -0.418 -5.446 1.00 0.00 H new ATOM 953 N TYR A 459 1.274 2.606 -3.007 1.00 0.00 N ATOM 954 CA TYR A 459 0.862 3.984 -2.762 1.00 0.00 C ATOM 955 C TYR A 459 0.406 4.652 -4.056 1.00 0.00 C ATOM 956 O TYR A 459 1.151 4.709 -5.035 1.00 0.00 O ATOM 957 CB TYR A 459 2.012 4.779 -2.143 1.00 0.00 C ATOM 958 CG TYR A 459 2.031 4.740 -0.630 1.00 0.00 C ATOM 959 CD1 TYR A 459 2.043 3.530 0.051 1.00 0.00 C ATOM 960 CD2 TYR A 459 2.036 5.913 0.113 1.00 0.00 C ATOM 961 CE1 TYR A 459 2.060 3.490 1.432 1.00 0.00 C ATOM 962 CE2 TYR A 459 2.053 5.881 1.496 1.00 0.00 C ATOM 963 CZ TYR A 459 2.065 4.667 2.149 1.00 0.00 C ATOM 964 OH TYR A 459 2.081 4.631 3.524 1.00 0.00 O ATOM 0 H TYR A 459 2.093 2.511 -3.607 1.00 0.00 H new ATOM 0 HA TYR A 459 0.024 3.969 -2.066 1.00 0.00 H new ATOM 0 HB2 TYR A 459 2.957 4.388 -2.520 1.00 0.00 H new ATOM 0 HB3 TYR A 459 1.943 5.816 -2.470 1.00 0.00 H new ATOM 0 HD1 TYR A 459 2.039 2.606 -0.508 1.00 0.00 H new ATOM 0 HD2 TYR A 459 2.026 6.865 -0.397 1.00 0.00 H new ATOM 0 HE1 TYR A 459 2.069 2.541 1.947 1.00 0.00 H new ATOM 0 HE2 TYR A 459 2.057 6.802 2.061 1.00 0.00 H new ATOM 0 HH TYR A 459 2.084 5.546 3.875 1.00 0.00 H new ATOM 974 N GLU A 460 -0.823 5.157 -4.052 1.00 0.00 N ATOM 975 CA GLU A 460 -1.380 5.823 -5.225 1.00 0.00 C ATOM 976 C GLU A 460 -1.819 7.244 -4.886 1.00 0.00 C ATOM 977 O GLU A 460 -2.678 7.452 -4.029 1.00 0.00 O ATOM 978 CB GLU A 460 -2.567 5.028 -5.773 1.00 0.00 C ATOM 979 CG GLU A 460 -2.177 4.002 -6.824 1.00 0.00 C ATOM 980 CD GLU A 460 -3.378 3.295 -7.423 1.00 0.00 C ATOM 981 OE1 GLU A 460 -4.290 2.921 -6.656 1.00 0.00 O ATOM 982 OE2 GLU A 460 -3.407 3.118 -8.659 1.00 0.00 O ATOM 0 H GLU A 460 -1.452 5.118 -3.250 1.00 0.00 H new ATOM 0 HA GLU A 460 -0.602 5.874 -5.987 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -3.065 4.519 -4.948 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -3.290 5.721 -6.204 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -1.617 4.496 -7.618 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -1.511 3.264 -6.376 1.00 0.00 H new ATOM 989 N GLY A 461 -1.223 8.220 -5.564 1.00 0.00 N ATOM 990 CA GLY A 461 -1.564 9.608 -5.322 1.00 0.00 C ATOM 991 C GLY A 461 -0.487 10.345 -4.549 1.00 0.00 C ATOM 992 O GLY A 461 0.407 9.723 -3.975 1.00 0.00 O ATOM 0 H GLY A 461 -0.509 8.073 -6.277 1.00 0.00 H new ATOM 0 HA2 GLY A 461 -1.730 10.109 -6.275 1.00 0.00 H new ATOM 0 HA3 GLY A 461 -2.502 9.657 -4.769 1.00 0.00 H new ATOM 996 N LYS A 462 -0.571 11.670 -4.537 1.00 0.00 N ATOM 997 CA LYS A 462 0.404 12.493 -3.830 1.00 0.00 C ATOM 998 C LYS A 462 -0.254 13.252 -2.682 1.00 0.00 C ATOM 999 O LYS A 462 -1.467 13.463 -2.680 1.00 0.00 O ATOM 1000 CB LYS A 462 1.066 13.478 -4.795 1.00 0.00 C ATOM 1001 CG LYS A 462 1.833 12.804 -5.922 1.00 0.00 C ATOM 1002 CD LYS A 462 2.865 13.740 -6.529 1.00 0.00 C ATOM 1003 CE LYS A 462 3.362 13.225 -7.871 1.00 0.00 C ATOM 1004 NZ LYS A 462 4.792 13.565 -8.101 1.00 0.00 N ATOM 0 H LYS A 462 -1.305 12.198 -5.009 1.00 0.00 H new ATOM 0 HA LYS A 462 1.166 11.833 -3.415 1.00 0.00 H new ATOM 0 HB2 LYS A 462 0.300 14.124 -5.224 1.00 0.00 H new ATOM 0 HB3 LYS A 462 1.747 14.119 -4.236 1.00 0.00 H new ATOM 0 HG2 LYS A 462 2.329 11.910 -5.543 1.00 0.00 H new ATOM 0 HG3 LYS A 462 1.136 12.479 -6.694 1.00 0.00 H new ATOM 0 HD2 LYS A 462 2.429 14.731 -6.657 1.00 0.00 H new ATOM 0 HD3 LYS A 462 3.707 13.848 -5.845 1.00 0.00 H new ATOM 0 HE2 LYS A 462 3.235 12.143 -7.914 1.00 0.00 H new ATOM 0 HE3 LYS A 462 2.755 13.650 -8.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 5.092 13.196 -9.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 4.910 14.598 -8.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 5.375 13.138 -7.353 1.00 0.00 H new ATOM 1018 N HIS A 463 0.554 13.658 -1.709 1.00 0.00 N ATOM 1019 CA HIS A 463 0.051 14.394 -0.555 1.00 0.00 C ATOM 1020 C HIS A 463 -0.123 15.873 -0.887 1.00 0.00 C ATOM 1021 O HIS A 463 0.678 16.454 -1.618 1.00 0.00 O ATOM 1022 CB HIS A 463 1.000 14.235 0.633 1.00 0.00 C ATOM 1023 CG HIS A 463 1.031 12.845 1.192 1.00 0.00 C ATOM 1024 ND1 HIS A 463 0.032 12.334 1.993 1.00 0.00 N ATOM 1025 CD2 HIS A 463 1.947 11.857 1.061 1.00 0.00 C ATOM 1026 CE1 HIS A 463 0.332 11.094 2.333 1.00 0.00 C ATOM 1027 NE2 HIS A 463 1.487 10.779 1.779 1.00 0.00 N ATOM 0 H HIS A 463 1.560 13.490 -1.696 1.00 0.00 H new ATOM 0 HA HIS A 463 -0.923 13.982 -0.290 1.00 0.00 H new ATOM 0 HB2 HIS A 463 2.007 14.516 0.324 1.00 0.00 H new ATOM 0 HB3 HIS A 463 0.703 14.928 1.420 1.00 0.00 H new ATOM 0 HD2 HIS A 463 2.867 11.907 0.498 1.00 0.00 H new ATOM 0 HE1 HIS A 463 -0.266 10.448 2.958 1.00 0.00 H new ATOM 0 HE2 HIS A 463 1.962 9.881 1.869 1.00 0.00 H new ATOM 1035 N ASN A 464 -1.176 16.477 -0.343 1.00 0.00 N ATOM 1036 CA ASN A 464 -1.455 17.888 -0.580 1.00 0.00 C ATOM 1037 C ASN A 464 -1.372 18.685 0.717 1.00 0.00 C ATOM 1038 O ASN A 464 -2.074 19.680 0.892 1.00 0.00 O ATOM 1039 CB ASN A 464 -2.839 18.057 -1.209 1.00 0.00 C ATOM 1040 CG ASN A 464 -2.992 19.384 -1.927 1.00 0.00 C ATOM 1041 OD1 ASN A 464 -2.063 19.856 -2.585 1.00 0.00 O ATOM 1042 ND2 ASN A 464 -4.165 19.992 -1.802 1.00 0.00 N ATOM 0 H ASN A 464 -1.849 16.010 0.265 1.00 0.00 H new ATOM 0 HA ASN A 464 -0.702 18.271 -1.268 1.00 0.00 H new ATOM 0 HB2 ASN A 464 -3.016 17.244 -1.913 1.00 0.00 H new ATOM 0 HB3 ASN A 464 -3.600 17.978 -0.432 1.00 0.00 H new ATOM 0 HD21 ASN A 464 -4.326 20.888 -2.261 1.00 0.00 H new ATOM 0 HD22 ASN A 464 -4.905 19.563 -1.247 1.00 0.00 H new ATOM 1049 N HIS A 465 -0.508 18.241 1.624 1.00 0.00 N ATOM 1050 CA HIS A 465 -0.333 18.912 2.906 1.00 0.00 C ATOM 1051 C HIS A 465 1.064 18.662 3.465 1.00 0.00 C ATOM 1052 O HIS A 465 1.620 17.574 3.310 1.00 0.00 O ATOM 1053 CB HIS A 465 -1.389 18.436 3.904 1.00 0.00 C ATOM 1054 CG HIS A 465 -1.376 16.955 4.127 1.00 0.00 C ATOM 1055 ND1 HIS A 465 -1.092 16.379 5.346 1.00 0.00 N ATOM 1056 CD2 HIS A 465 -1.619 15.930 3.276 1.00 0.00 C ATOM 1057 CE1 HIS A 465 -1.157 15.064 5.236 1.00 0.00 C ATOM 1058 NE2 HIS A 465 -1.476 14.766 3.990 1.00 0.00 N ATOM 0 H HIS A 465 0.082 17.419 1.494 1.00 0.00 H new ATOM 0 HA HIS A 465 -0.453 19.983 2.746 1.00 0.00 H new ATOM 0 HB2 HIS A 465 -1.230 18.940 4.857 1.00 0.00 H new ATOM 0 HB3 HIS A 465 -2.375 18.733 3.547 1.00 0.00 H new ATOM 0 HD2 HIS A 465 -1.877 16.013 2.231 1.00 0.00 H new ATOM 0 HE1 HIS A 465 -0.979 14.354 6.030 1.00 0.00 H new ATOM 0 HE2 HIS A 465 -1.597 13.824 3.618 1.00 0.00 H new