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 444 HIS : no HD1:sc= 0.444 X(o=-0.53,f=-1) USER MOD Set 1.2: A 458 THR OG1 : rot 140:sc= -0.979 USER MOD Set 2.1: A 434 CYS SG : rot -65:sc= 0.316 USER MOD Set 2.2: A 436 THR OG1 : rot -169:sc= 0.295 USER MOD Set 2.3: A 439 CYS SG : rot 178:sc= -5.75! USER MOD Set 2.4: A 463 HIS : no HD1:sc= -0.159 X(o=-6,f=-6.1) USER MOD Set 2.5: A 465 HIS : no HD1:sc= -0.714 X(o=-6,f=-6.4) USER MOD Set 3.1: A 416 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 430 SER OG : rot 180:sc= 0 USER MOD Single : A 412 TYR OH : rot 180:sc= 0 USER MOD Single : A 417 TYR OH : rot -170:sc= -0.59 USER MOD Single : A 419 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 420 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 423 LYS NZ :NH3+ 162:sc= -0.133 (180deg=-0.577) USER MOD Single : A 425 ASN : amide:sc= -0.0363 K(o=-0.036,f=-1.1) USER MOD Single : A 427 TYR OH : rot 180:sc= 0 USER MOD Single : A 431 TYR OH : rot 30:sc= -0.649 USER MOD Single : A 432 TYR OH : rot 180:sc= 0 USER MOD Single : A 433 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0607) USER MOD Single : A 435 THR OG1 : rot 180:sc= 0 USER MOD Single : A 443 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 450 THR OG1 : rot 180:sc= 0 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 459 TYR OH : 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= -0.159 K(o=-0.16,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 185 N TYR A 412 1.409 10.596 8.023 1.00 0.00 N ATOM 186 CA TYR A 412 0.143 10.918 7.376 1.00 0.00 C ATOM 187 C TYR A 412 -1.018 10.224 8.081 1.00 0.00 C ATOM 188 O TYR A 412 -0.854 9.150 8.660 1.00 0.00 O ATOM 189 CB TYR A 412 0.180 10.507 5.904 1.00 0.00 C ATOM 190 CG TYR A 412 1.372 11.056 5.150 1.00 0.00 C ATOM 191 CD1 TYR A 412 1.471 12.412 4.865 1.00 0.00 C ATOM 192 CD2 TYR A 412 2.395 10.220 4.726 1.00 0.00 C ATOM 193 CE1 TYR A 412 2.556 12.919 4.176 1.00 0.00 C ATOM 194 CE2 TYR A 412 3.486 10.718 4.037 1.00 0.00 C ATOM 195 CZ TYR A 412 3.561 12.069 3.765 1.00 0.00 C ATOM 196 OH TYR A 412 4.645 12.568 3.080 1.00 0.00 O ATOM 0 HA TYR A 412 -0.007 11.996 7.441 1.00 0.00 H new ATOM 0 HB2 TYR A 412 0.190 9.419 5.840 1.00 0.00 H new ATOM 0 HB3 TYR A 412 -0.734 10.847 5.418 1.00 0.00 H new ATOM 0 HD1 TYR A 412 0.687 13.081 5.187 1.00 0.00 H new ATOM 0 HD2 TYR A 412 2.338 9.162 4.938 1.00 0.00 H new ATOM 0 HE1 TYR A 412 2.617 13.976 3.960 1.00 0.00 H new ATOM 0 HE2 TYR A 412 4.274 10.054 3.714 1.00 0.00 H new ATOM 0 HH TYR A 412 5.261 11.837 2.865 1.00 0.00 H new ATOM 206 N ARG A 413 -2.192 10.845 8.029 1.00 0.00 N ATOM 207 CA ARG A 413 -3.382 10.288 8.662 1.00 0.00 C ATOM 208 C ARG A 413 -4.173 9.433 7.677 1.00 0.00 C ATOM 209 O ARG A 413 -4.769 9.949 6.731 1.00 0.00 O ATOM 210 CB ARG A 413 -4.265 11.413 9.211 1.00 0.00 C ATOM 211 CG ARG A 413 -4.620 11.246 10.680 1.00 0.00 C ATOM 212 CD ARG A 413 -6.065 10.810 10.865 1.00 0.00 C ATOM 213 NE ARG A 413 -6.770 11.651 11.830 1.00 0.00 N ATOM 214 CZ ARG A 413 -6.596 11.575 13.147 1.00 0.00 C ATOM 215 NH1 ARG A 413 -5.744 10.696 13.661 1.00 0.00 N ATOM 216 NH2 ARG A 413 -7.277 12.378 13.953 1.00 0.00 N ATOM 0 H ARG A 413 -2.345 11.735 7.555 1.00 0.00 H new ATOM 0 HA ARG A 413 -3.063 9.652 9.488 1.00 0.00 H new ATOM 0 HB2 ARG A 413 -3.752 12.365 9.076 1.00 0.00 H new ATOM 0 HB3 ARG A 413 -5.184 11.460 8.627 1.00 0.00 H new ATOM 0 HG2 ARG A 413 -3.957 10.509 11.133 1.00 0.00 H new ATOM 0 HG3 ARG A 413 -4.454 12.188 11.203 1.00 0.00 H new ATOM 0 HD2 ARG A 413 -6.581 10.848 9.906 1.00 0.00 H new ATOM 0 HD3 ARG A 413 -6.091 9.773 11.200 1.00 0.00 H new ATOM 0 HE ARG A 413 -7.435 12.337 11.473 1.00 0.00 H new ATOM 0 HH11 ARG A 413 -5.219 10.075 13.046 1.00 0.00 H new ATOM 0 HH12 ARG A 413 -5.614 10.642 14.671 1.00 0.00 H new ATOM 0 HH21 ARG A 413 -7.934 13.054 13.563 1.00 0.00 H new ATOM 0 HH22 ARG A 413 -7.144 12.320 14.963 1.00 0.00 H new ATOM 230 N TRP A 414 -4.175 8.124 7.905 1.00 0.00 N ATOM 231 CA TRP A 414 -4.893 7.197 7.038 1.00 0.00 C ATOM 232 C TRP A 414 -6.134 6.649 7.734 1.00 0.00 C ATOM 233 O TRP A 414 -6.282 6.770 8.949 1.00 0.00 O ATOM 234 CB TRP A 414 -3.979 6.044 6.621 1.00 0.00 C ATOM 235 CG TRP A 414 -2.646 6.494 6.109 1.00 0.00 C ATOM 236 CD1 TRP A 414 -1.559 6.850 6.854 1.00 0.00 C ATOM 237 CD2 TRP A 414 -2.257 6.636 4.738 1.00 0.00 C ATOM 238 NE1 TRP A 414 -0.518 7.205 6.030 1.00 0.00 N ATOM 239 CE2 TRP A 414 -0.921 7.082 4.727 1.00 0.00 C ATOM 240 CE3 TRP A 414 -2.908 6.428 3.518 1.00 0.00 C ATOM 241 CZ2 TRP A 414 -0.226 7.323 3.544 1.00 0.00 C ATOM 242 CZ3 TRP A 414 -2.216 6.668 2.344 1.00 0.00 C ATOM 243 CH2 TRP A 414 -0.887 7.111 2.366 1.00 0.00 C ATOM 0 H TRP A 414 -3.687 7.681 8.683 1.00 0.00 H new ATOM 0 HA TRP A 414 -5.208 7.743 6.149 1.00 0.00 H new ATOM 0 HB2 TRP A 414 -3.827 5.384 7.475 1.00 0.00 H new ATOM 0 HB3 TRP A 414 -4.477 5.457 5.849 1.00 0.00 H new ATOM 0 HD1 TRP A 414 -1.522 6.852 7.933 1.00 0.00 H new ATOM 0 HE1 TRP A 414 0.405 7.510 6.339 1.00 0.00 H new ATOM 0 HE3 TRP A 414 -3.932 6.086 3.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 414 0.798 7.665 3.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 414 -2.708 6.511 1.396 1.00 0.00 H new ATOM 0 HH2 TRP A 414 -0.374 7.289 1.433 1.00 0.00 H new ATOM 254 N ARG A 415 -7.023 6.043 6.953 1.00 0.00 N ATOM 255 CA ARG A 415 -8.253 5.473 7.491 1.00 0.00 C ATOM 256 C ARG A 415 -8.746 4.325 6.616 1.00 0.00 C ATOM 257 O ARG A 415 -8.611 4.362 5.393 1.00 0.00 O ATOM 258 CB ARG A 415 -9.335 6.549 7.597 1.00 0.00 C ATOM 259 CG ARG A 415 -9.350 7.268 8.937 1.00 0.00 C ATOM 260 CD ARG A 415 -9.839 6.357 10.052 1.00 0.00 C ATOM 261 NE ARG A 415 -9.513 6.888 11.374 1.00 0.00 N ATOM 262 CZ ARG A 415 -9.616 6.185 12.499 1.00 0.00 C ATOM 263 NH1 ARG A 415 -10.035 4.927 12.470 1.00 0.00 N ATOM 264 NH2 ARG A 415 -9.299 6.745 13.661 1.00 0.00 N ATOM 0 H ARG A 415 -6.914 5.934 5.945 1.00 0.00 H new ATOM 0 HA ARG A 415 -8.040 5.084 8.486 1.00 0.00 H new ATOM 0 HB2 ARG A 415 -9.187 7.281 6.803 1.00 0.00 H new ATOM 0 HB3 ARG A 415 -10.309 6.090 7.429 1.00 0.00 H new ATOM 0 HG2 ARG A 415 -8.347 7.625 9.171 1.00 0.00 H new ATOM 0 HG3 ARG A 415 -9.994 8.145 8.873 1.00 0.00 H new ATOM 0 HD2 ARG A 415 -10.918 6.229 9.969 1.00 0.00 H new ATOM 0 HD3 ARG A 415 -9.391 5.370 9.937 1.00 0.00 H new ATOM 0 HE ARG A 415 -9.188 7.853 11.438 1.00 0.00 H new ATOM 0 HH11 ARG A 415 -10.281 4.492 11.581 1.00 0.00 H new ATOM 0 HH12 ARG A 415 -10.111 4.395 13.337 1.00 0.00 H new ATOM 0 HH21 ARG A 415 -8.977 7.712 13.690 1.00 0.00 H new ATOM 0 HH22 ARG A 415 -9.377 6.208 14.524 1.00 0.00 H new ATOM 278 N LYS A 416 -9.317 3.307 7.250 1.00 0.00 N ATOM 279 CA LYS A 416 -9.830 2.149 6.527 1.00 0.00 C ATOM 280 C LYS A 416 -11.126 2.492 5.801 1.00 0.00 C ATOM 281 O LYS A 416 -11.810 3.455 6.151 1.00 0.00 O ATOM 282 CB LYS A 416 -10.066 0.982 7.490 1.00 0.00 C ATOM 283 CG LYS A 416 -9.885 -0.382 6.845 1.00 0.00 C ATOM 284 CD LYS A 416 -10.068 -1.503 7.854 1.00 0.00 C ATOM 285 CE LYS A 416 -8.740 -1.934 8.457 1.00 0.00 C ATOM 286 NZ LYS A 416 -8.650 -3.413 8.606 1.00 0.00 N ATOM 0 H LYS A 416 -9.436 3.260 8.262 1.00 0.00 H new ATOM 0 HA LYS A 416 -9.085 1.856 5.787 1.00 0.00 H new ATOM 0 HB2 LYS A 416 -9.379 1.071 8.332 1.00 0.00 H new ATOM 0 HB3 LYS A 416 -11.076 1.053 7.894 1.00 0.00 H new ATOM 0 HG2 LYS A 416 -10.603 -0.500 6.034 1.00 0.00 H new ATOM 0 HG3 LYS A 416 -8.891 -0.448 6.403 1.00 0.00 H new ATOM 0 HD2 LYS A 416 -10.739 -1.174 8.647 1.00 0.00 H new ATOM 0 HD3 LYS A 416 -10.542 -2.356 7.369 1.00 0.00 H new ATOM 0 HE2 LYS A 416 -7.924 -1.583 7.826 1.00 0.00 H new ATOM 0 HE3 LYS A 416 -8.614 -1.463 9.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 416 -7.730 -3.665 9.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 416 -9.413 -3.746 9.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 416 -8.744 -3.862 7.673 1.00 0.00 H new ATOM 300 N TYR A 417 -11.458 1.701 4.787 1.00 0.00 N ATOM 301 CA TYR A 417 -12.673 1.922 4.010 1.00 0.00 C ATOM 302 C TYR A 417 -13.138 0.630 3.347 1.00 0.00 C ATOM 303 O TYR A 417 -14.321 0.291 3.389 1.00 0.00 O ATOM 304 CB TYR A 417 -12.435 2.998 2.949 1.00 0.00 C ATOM 305 CG TYR A 417 -11.418 2.604 1.902 1.00 0.00 C ATOM 306 CD1 TYR A 417 -11.806 1.948 0.740 1.00 0.00 C ATOM 307 CD2 TYR A 417 -10.068 2.887 2.076 1.00 0.00 C ATOM 308 CE1 TYR A 417 -10.879 1.587 -0.219 1.00 0.00 C ATOM 309 CE2 TYR A 417 -9.136 2.528 1.120 1.00 0.00 C ATOM 310 CZ TYR A 417 -9.546 1.878 -0.024 1.00 0.00 C ATOM 311 OH TYR A 417 -8.621 1.519 -0.977 1.00 0.00 O ATOM 0 H TYR A 417 -10.903 0.901 4.483 1.00 0.00 H new ATOM 0 HA TYR A 417 -13.454 2.260 4.691 1.00 0.00 H new ATOM 0 HB2 TYR A 417 -13.380 3.226 2.457 1.00 0.00 H new ATOM 0 HB3 TYR A 417 -12.102 3.913 3.440 1.00 0.00 H new ATOM 0 HD1 TYR A 417 -12.849 1.717 0.584 1.00 0.00 H new ATOM 0 HD2 TYR A 417 -9.742 3.395 2.972 1.00 0.00 H new ATOM 0 HE1 TYR A 417 -11.198 1.079 -1.117 1.00 0.00 H new ATOM 0 HE2 TYR A 417 -8.091 2.756 1.269 1.00 0.00 H new ATOM 0 HH TYR A 417 -7.717 1.651 -0.622 1.00 0.00 H new ATOM 321 N GLY A 418 -12.201 -0.086 2.734 1.00 0.00 N ATOM 322 CA GLY A 418 -12.535 -1.333 2.070 1.00 0.00 C ATOM 323 C GLY A 418 -11.635 -2.476 2.495 1.00 0.00 C ATOM 324 O GLY A 418 -10.586 -2.257 3.102 1.00 0.00 O ATOM 0 H GLY A 418 -11.216 0.175 2.685 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -13.571 -1.591 2.288 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -12.460 -1.198 0.991 1.00 0.00 H new ATOM 328 N GLN A 419 -12.045 -3.700 2.177 1.00 0.00 N ATOM 329 CA GLN A 419 -11.268 -4.883 2.530 1.00 0.00 C ATOM 330 C GLN A 419 -11.649 -6.067 1.647 1.00 0.00 C ATOM 331 O GLN A 419 -12.810 -6.472 1.603 1.00 0.00 O ATOM 332 CB GLN A 419 -11.483 -5.238 4.002 1.00 0.00 C ATOM 333 CG GLN A 419 -12.946 -5.375 4.387 1.00 0.00 C ATOM 334 CD GLN A 419 -13.224 -4.901 5.800 1.00 0.00 C ATOM 335 OE1 GLN A 419 -13.179 -3.705 6.086 1.00 0.00 O ATOM 336 NE2 GLN A 419 -13.514 -5.841 6.692 1.00 0.00 N ATOM 0 H GLN A 419 -12.911 -3.898 1.676 1.00 0.00 H new ATOM 0 HA GLN A 419 -10.214 -4.658 2.368 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -10.969 -6.174 4.220 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -11.023 -4.470 4.623 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -13.557 -4.802 3.689 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -13.247 -6.418 4.292 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -13.540 -6.821 6.410 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -13.711 -5.583 7.659 1.00 0.00 H new ATOM 345 N LYS A 420 -10.662 -6.616 0.946 1.00 0.00 N ATOM 346 CA LYS A 420 -10.894 -7.754 0.064 1.00 0.00 C ATOM 347 C LYS A 420 -10.452 -9.057 0.725 1.00 0.00 C ATOM 348 O LYS A 420 -9.521 -9.069 1.531 1.00 0.00 O ATOM 349 CB LYS A 420 -10.147 -7.562 -1.258 1.00 0.00 C ATOM 350 CG LYS A 420 -10.912 -6.726 -2.272 1.00 0.00 C ATOM 351 CD LYS A 420 -12.022 -7.529 -2.930 1.00 0.00 C ATOM 352 CE LYS A 420 -11.467 -8.550 -3.913 1.00 0.00 C ATOM 353 NZ LYS A 420 -11.799 -8.201 -5.322 1.00 0.00 N ATOM 0 H LYS A 420 -9.695 -6.292 0.972 1.00 0.00 H new ATOM 0 HA LYS A 420 -11.964 -7.814 -0.135 1.00 0.00 H new ATOM 0 HB2 LYS A 420 -9.187 -7.087 -1.058 1.00 0.00 H new ATOM 0 HB3 LYS A 420 -9.935 -8.539 -1.691 1.00 0.00 H new ATOM 0 HG2 LYS A 420 -11.337 -5.852 -1.778 1.00 0.00 H new ATOM 0 HG3 LYS A 420 -10.225 -6.359 -3.035 1.00 0.00 H new ATOM 0 HD2 LYS A 420 -12.605 -8.040 -2.164 1.00 0.00 H new ATOM 0 HD3 LYS A 420 -12.701 -6.854 -3.450 1.00 0.00 H new ATOM 0 HE2 LYS A 420 -10.385 -8.612 -3.800 1.00 0.00 H new ATOM 0 HE3 LYS A 420 -11.869 -9.536 -3.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 420 -11.403 -8.921 -5.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 420 -12.832 -8.167 -5.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 420 -11.394 -7.272 -5.554 1.00 0.00 H new ATOM 367 N VAL A 421 -11.125 -10.149 0.379 1.00 0.00 N ATOM 368 CA VAL A 421 -10.803 -11.456 0.939 1.00 0.00 C ATOM 369 C VAL A 421 -10.246 -12.390 -0.133 1.00 0.00 C ATOM 370 O VAL A 421 -10.559 -12.249 -1.315 1.00 0.00 O ATOM 371 CB VAL A 421 -12.039 -12.108 1.589 1.00 0.00 C ATOM 372 CG1 VAL A 421 -13.133 -12.333 0.557 1.00 0.00 C ATOM 373 CG2 VAL A 421 -11.661 -13.415 2.270 1.00 0.00 C ATOM 0 H VAL A 421 -11.897 -10.155 -0.287 1.00 0.00 H new ATOM 0 HA VAL A 421 -10.044 -11.297 1.705 1.00 0.00 H new ATOM 0 HB VAL A 421 -12.424 -11.428 2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 421 -13.996 -12.794 1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 421 -13.426 -11.377 0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 421 -12.761 -12.990 -0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 421 -12.548 -13.859 2.723 1.00 0.00 H new ATOM 0 HG22 VAL A 421 -11.247 -14.103 1.533 1.00 0.00 H new ATOM 0 HG23 VAL A 421 -10.918 -13.221 3.043 1.00 0.00 H new ATOM 383 N VAL A 422 -9.420 -13.342 0.290 1.00 0.00 N ATOM 384 CA VAL A 422 -8.822 -14.299 -0.632 1.00 0.00 C ATOM 385 C VAL A 422 -8.963 -15.725 -0.112 1.00 0.00 C ATOM 386 O VAL A 422 -8.617 -16.016 1.032 1.00 0.00 O ATOM 387 CB VAL A 422 -7.330 -13.996 -0.866 1.00 0.00 C ATOM 388 CG1 VAL A 422 -6.774 -14.874 -1.977 1.00 0.00 C ATOM 389 CG2 VAL A 422 -7.129 -12.523 -1.191 1.00 0.00 C ATOM 0 H VAL A 422 -9.150 -13.471 1.265 1.00 0.00 H new ATOM 0 HA VAL A 422 -9.357 -14.205 -1.577 1.00 0.00 H new ATOM 0 HB VAL A 422 -6.785 -14.221 0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 422 -5.719 -14.645 -2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 422 -6.882 -15.923 -1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 422 -7.322 -14.684 -2.900 1.00 0.00 H new ATOM 0 HG21 VAL A 422 -6.069 -12.328 -1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 422 -7.687 -12.270 -2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 422 -7.487 -11.915 -0.360 1.00 0.00 H new ATOM 399 N LYS A 423 -9.475 -16.611 -0.961 1.00 0.00 N ATOM 400 CA LYS A 423 -9.662 -18.009 -0.585 1.00 0.00 C ATOM 401 C LYS A 423 -8.319 -18.696 -0.358 1.00 0.00 C ATOM 402 O LYS A 423 -7.398 -18.562 -1.162 1.00 0.00 O ATOM 403 CB LYS A 423 -10.455 -18.747 -1.668 1.00 0.00 C ATOM 404 CG LYS A 423 -11.736 -19.386 -1.153 1.00 0.00 C ATOM 405 CD LYS A 423 -11.861 -20.832 -1.606 1.00 0.00 C ATOM 406 CE LYS A 423 -12.450 -20.930 -3.004 1.00 0.00 C ATOM 407 NZ LYS A 423 -11.468 -20.527 -4.049 1.00 0.00 N ATOM 0 H LYS A 423 -9.767 -16.387 -1.912 1.00 0.00 H new ATOM 0 HA LYS A 423 -10.224 -18.038 0.349 1.00 0.00 H new ATOM 0 HB2 LYS A 423 -10.703 -18.047 -2.466 1.00 0.00 H new ATOM 0 HB3 LYS A 423 -9.824 -19.520 -2.106 1.00 0.00 H new ATOM 0 HG2 LYS A 423 -11.753 -19.342 -0.064 1.00 0.00 H new ATOM 0 HG3 LYS A 423 -12.595 -18.817 -1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 423 -10.879 -21.305 -1.590 1.00 0.00 H new ATOM 0 HD3 LYS A 423 -12.491 -21.380 -0.906 1.00 0.00 H new ATOM 0 HE2 LYS A 423 -12.778 -21.953 -3.189 1.00 0.00 H new ATOM 0 HE3 LYS A 423 -13.333 -20.295 -3.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 423 -11.779 -20.886 -4.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 423 -11.404 -19.490 -4.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 423 -10.535 -20.924 -3.820 1.00 0.00 H new ATOM 421 N GLY A 424 -8.218 -19.435 0.743 1.00 0.00 N ATOM 422 CA GLY A 424 -6.985 -20.133 1.056 1.00 0.00 C ATOM 423 C GLY A 424 -6.060 -19.313 1.934 1.00 0.00 C ATOM 424 O GLY A 424 -5.633 -19.770 2.995 1.00 0.00 O ATOM 0 H GLY A 424 -8.968 -19.562 1.423 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -7.220 -21.071 1.558 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -6.470 -20.388 0.130 1.00 0.00 H new ATOM 428 N ASN A 425 -5.749 -18.098 1.492 1.00 0.00 N ATOM 429 CA ASN A 425 -4.868 -17.214 2.245 1.00 0.00 C ATOM 430 C ASN A 425 -5.515 -16.796 3.566 1.00 0.00 C ATOM 431 O ASN A 425 -6.579 -16.175 3.573 1.00 0.00 O ATOM 432 CB ASN A 425 -4.530 -15.974 1.417 1.00 0.00 C ATOM 433 CG ASN A 425 -3.354 -16.203 0.488 1.00 0.00 C ATOM 434 OD1 ASN A 425 -2.946 -17.341 0.254 1.00 0.00 O ATOM 435 ND2 ASN A 425 -2.801 -15.120 -0.046 1.00 0.00 N ATOM 0 H ASN A 425 -6.094 -17.704 0.617 1.00 0.00 H new ATOM 0 HA ASN A 425 -3.950 -17.758 2.466 1.00 0.00 H new ATOM 0 HB2 ASN A 425 -5.402 -15.683 0.831 1.00 0.00 H new ATOM 0 HB3 ASN A 425 -4.305 -15.144 2.086 1.00 0.00 H new ATOM 0 HD21 ASN A 425 -2.006 -15.212 -0.678 1.00 0.00 H new ATOM 0 HD22 ASN A 425 -3.172 -14.196 0.176 1.00 0.00 H new ATOM 442 N PRO A 426 -4.884 -17.133 4.707 1.00 0.00 N ATOM 443 CA PRO A 426 -5.410 -16.786 6.029 1.00 0.00 C ATOM 444 C PRO A 426 -5.167 -15.323 6.399 1.00 0.00 C ATOM 445 O PRO A 426 -5.554 -14.878 7.480 1.00 0.00 O ATOM 446 CB PRO A 426 -4.627 -17.708 6.963 1.00 0.00 C ATOM 447 CG PRO A 426 -3.320 -17.908 6.278 1.00 0.00 C ATOM 448 CD PRO A 426 -3.611 -17.877 4.799 1.00 0.00 C ATOM 0 HA PRO A 426 -6.492 -16.909 6.081 1.00 0.00 H new ATOM 0 HB2 PRO A 426 -4.495 -17.258 7.947 1.00 0.00 H new ATOM 0 HB3 PRO A 426 -5.146 -18.655 7.113 1.00 0.00 H new ATOM 0 HG2 PRO A 426 -2.613 -17.125 6.552 1.00 0.00 H new ATOM 0 HG3 PRO A 426 -2.871 -18.858 6.566 1.00 0.00 H new ATOM 0 HD2 PRO A 426 -2.815 -17.379 4.245 1.00 0.00 H new ATOM 0 HD3 PRO A 426 -3.704 -18.882 4.388 1.00 0.00 H new ATOM 456 N TYR A 427 -4.525 -14.580 5.501 1.00 0.00 N ATOM 457 CA TYR A 427 -4.235 -13.173 5.744 1.00 0.00 C ATOM 458 C TYR A 427 -5.051 -12.277 4.811 1.00 0.00 C ATOM 459 O TYR A 427 -4.629 -11.990 3.691 1.00 0.00 O ATOM 460 CB TYR A 427 -2.743 -12.900 5.553 1.00 0.00 C ATOM 461 CG TYR A 427 -1.853 -13.778 6.404 1.00 0.00 C ATOM 462 CD1 TYR A 427 -2.027 -13.845 7.781 1.00 0.00 C ATOM 463 CD2 TYR A 427 -0.841 -14.537 5.833 1.00 0.00 C ATOM 464 CE1 TYR A 427 -1.217 -14.646 8.564 1.00 0.00 C ATOM 465 CE2 TYR A 427 -0.027 -15.342 6.607 1.00 0.00 C ATOM 466 CZ TYR A 427 -0.219 -15.392 7.974 1.00 0.00 C ATOM 467 OH TYR A 427 0.589 -16.191 8.748 1.00 0.00 O ATOM 0 H TYR A 427 -4.197 -14.930 4.601 1.00 0.00 H new ATOM 0 HA TYR A 427 -4.513 -12.943 6.773 1.00 0.00 H new ATOM 0 HB2 TYR A 427 -2.487 -13.046 4.504 1.00 0.00 H new ATOM 0 HB3 TYR A 427 -2.540 -11.855 5.788 1.00 0.00 H new ATOM 0 HD1 TYR A 427 -2.808 -13.262 8.247 1.00 0.00 H new ATOM 0 HD2 TYR A 427 -0.687 -14.498 4.765 1.00 0.00 H new ATOM 0 HE1 TYR A 427 -1.365 -14.687 9.633 1.00 0.00 H new ATOM 0 HE2 TYR A 427 0.754 -15.928 6.146 1.00 0.00 H new ATOM 0 HH TYR A 427 1.240 -16.650 8.176 1.00 0.00 H new ATOM 477 N PRO A 428 -6.233 -11.824 5.262 1.00 0.00 N ATOM 478 CA PRO A 428 -7.104 -10.958 4.459 1.00 0.00 C ATOM 479 C PRO A 428 -6.361 -9.754 3.891 1.00 0.00 C ATOM 480 O PRO A 428 -5.168 -9.573 4.143 1.00 0.00 O ATOM 481 CB PRO A 428 -8.172 -10.505 5.457 1.00 0.00 C ATOM 482 CG PRO A 428 -8.218 -11.587 6.479 1.00 0.00 C ATOM 483 CD PRO A 428 -6.815 -12.117 6.586 1.00 0.00 C ATOM 0 HA PRO A 428 -7.506 -11.479 3.590 1.00 0.00 H new ATOM 0 HB2 PRO A 428 -7.913 -9.547 5.907 1.00 0.00 H new ATOM 0 HB3 PRO A 428 -9.139 -10.378 4.971 1.00 0.00 H new ATOM 0 HG2 PRO A 428 -8.564 -11.203 7.439 1.00 0.00 H new ATOM 0 HG3 PRO A 428 -8.911 -12.374 6.182 1.00 0.00 H new ATOM 0 HD2 PRO A 428 -6.260 -11.626 7.386 1.00 0.00 H new ATOM 0 HD3 PRO A 428 -6.805 -13.186 6.801 1.00 0.00 H new ATOM 491 N ARG A 429 -7.071 -8.933 3.124 1.00 0.00 N ATOM 492 CA ARG A 429 -6.477 -7.745 2.521 1.00 0.00 C ATOM 493 C ARG A 429 -7.121 -6.475 3.066 1.00 0.00 C ATOM 494 O ARG A 429 -8.345 -6.357 3.110 1.00 0.00 O ATOM 495 CB ARG A 429 -6.627 -7.793 0.999 1.00 0.00 C ATOM 496 CG ARG A 429 -5.604 -8.687 0.315 1.00 0.00 C ATOM 497 CD ARG A 429 -6.037 -9.052 -1.095 1.00 0.00 C ATOM 498 NE ARG A 429 -4.926 -8.996 -2.042 1.00 0.00 N ATOM 499 CZ ARG A 429 -5.078 -8.919 -3.362 1.00 0.00 C ATOM 500 NH1 ARG A 429 -6.293 -8.887 -3.896 1.00 0.00 N ATOM 501 NH2 ARG A 429 -4.013 -8.871 -4.150 1.00 0.00 N ATOM 0 H ARG A 429 -8.058 -9.068 2.905 1.00 0.00 H new ATOM 0 HA ARG A 429 -5.418 -7.730 2.777 1.00 0.00 H new ATOM 0 HB2 ARG A 429 -7.628 -8.145 0.752 1.00 0.00 H new ATOM 0 HB3 ARG A 429 -6.538 -6.782 0.601 1.00 0.00 H new ATOM 0 HG2 ARG A 429 -4.640 -8.179 0.281 1.00 0.00 H new ATOM 0 HG3 ARG A 429 -5.464 -9.596 0.900 1.00 0.00 H new ATOM 0 HD2 ARG A 429 -6.463 -10.055 -1.095 1.00 0.00 H new ATOM 0 HD3 ARG A 429 -6.824 -8.372 -1.420 1.00 0.00 H new ATOM 0 HE ARG A 429 -3.977 -9.017 -1.669 1.00 0.00 H new ATOM 0 HH11 ARG A 429 -7.116 -8.921 -3.294 1.00 0.00 H new ATOM 0 HH12 ARG A 429 -6.404 -8.828 -4.908 1.00 0.00 H new ATOM 0 HH21 ARG A 429 -3.077 -8.893 -3.745 1.00 0.00 H new ATOM 0 HH22 ARG A 429 -4.129 -8.812 -5.162 1.00 0.00 H new ATOM 515 N SER A 430 -6.287 -5.527 3.482 1.00 0.00 N ATOM 516 CA SER A 430 -6.775 -4.264 4.025 1.00 0.00 C ATOM 517 C SER A 430 -6.499 -3.116 3.059 1.00 0.00 C ATOM 518 O SER A 430 -5.542 -3.160 2.285 1.00 0.00 O ATOM 519 CB SER A 430 -6.118 -3.978 5.376 1.00 0.00 C ATOM 520 OG SER A 430 -6.244 -5.087 6.250 1.00 0.00 O ATOM 0 H SER A 430 -5.271 -5.609 3.454 1.00 0.00 H new ATOM 0 HA SER A 430 -7.853 -4.348 4.164 1.00 0.00 H new ATOM 0 HB2 SER A 430 -5.063 -3.745 5.229 1.00 0.00 H new ATOM 0 HB3 SER A 430 -6.578 -3.100 5.829 1.00 0.00 H new ATOM 0 HG SER A 430 -5.814 -4.879 7.106 1.00 0.00 H new ATOM 526 N TYR A 431 -7.342 -2.091 3.108 1.00 0.00 N ATOM 527 CA TYR A 431 -7.188 -0.932 2.235 1.00 0.00 C ATOM 528 C TYR A 431 -7.392 0.366 3.010 1.00 0.00 C ATOM 529 O TYR A 431 -8.456 0.596 3.587 1.00 0.00 O ATOM 530 CB TYR A 431 -8.177 -1.008 1.073 1.00 0.00 C ATOM 531 CG TYR A 431 -8.037 -2.260 0.235 1.00 0.00 C ATOM 532 CD1 TYR A 431 -6.862 -2.529 -0.454 1.00 0.00 C ATOM 533 CD2 TYR A 431 -9.080 -3.172 0.137 1.00 0.00 C ATOM 534 CE1 TYR A 431 -6.729 -3.671 -1.220 1.00 0.00 C ATOM 535 CE2 TYR A 431 -8.955 -4.318 -0.627 1.00 0.00 C ATOM 536 CZ TYR A 431 -7.778 -4.563 -1.302 1.00 0.00 C ATOM 537 OH TYR A 431 -7.650 -5.702 -2.064 1.00 0.00 O ATOM 0 H TYR A 431 -8.139 -2.038 3.742 1.00 0.00 H new ATOM 0 HA TYR A 431 -6.173 -0.940 1.839 1.00 0.00 H new ATOM 0 HB2 TYR A 431 -9.192 -0.957 1.468 1.00 0.00 H new ATOM 0 HB3 TYR A 431 -8.040 -0.136 0.433 1.00 0.00 H new ATOM 0 HD1 TYR A 431 -6.038 -1.834 -0.390 1.00 0.00 H new ATOM 0 HD2 TYR A 431 -10.003 -2.983 0.666 1.00 0.00 H new ATOM 0 HE1 TYR A 431 -5.809 -3.864 -1.752 1.00 0.00 H new ATOM 0 HE2 TYR A 431 -9.775 -5.017 -0.695 1.00 0.00 H new ATOM 0 HH TYR A 431 -6.711 -5.982 -2.078 1.00 0.00 H new ATOM 547 N TYR A 432 -6.368 1.213 3.014 1.00 0.00 N ATOM 548 CA TYR A 432 -6.435 2.492 3.716 1.00 0.00 C ATOM 549 C TYR A 432 -6.264 3.651 2.740 1.00 0.00 C ATOM 550 O TYR A 432 -5.977 3.444 1.560 1.00 0.00 O ATOM 551 CB TYR A 432 -5.362 2.559 4.803 1.00 0.00 C ATOM 552 CG TYR A 432 -5.324 1.336 5.691 1.00 0.00 C ATOM 553 CD1 TYR A 432 -4.681 0.175 5.280 1.00 0.00 C ATOM 554 CD2 TYR A 432 -5.930 1.342 6.941 1.00 0.00 C ATOM 555 CE1 TYR A 432 -4.645 -0.946 6.089 1.00 0.00 C ATOM 556 CE2 TYR A 432 -5.898 0.226 7.755 1.00 0.00 C ATOM 557 CZ TYR A 432 -5.254 -0.915 7.324 1.00 0.00 C ATOM 558 OH TYR A 432 -5.220 -2.027 8.132 1.00 0.00 O ATOM 0 H TYR A 432 -5.482 1.038 2.540 1.00 0.00 H new ATOM 0 HA TYR A 432 -7.416 2.574 4.184 1.00 0.00 H new ATOM 0 HB2 TYR A 432 -4.387 2.687 4.332 1.00 0.00 H new ATOM 0 HB3 TYR A 432 -5.536 3.441 5.420 1.00 0.00 H new ATOM 0 HD1 TYR A 432 -4.201 0.148 4.313 1.00 0.00 H new ATOM 0 HD2 TYR A 432 -6.435 2.234 7.282 1.00 0.00 H new ATOM 0 HE1 TYR A 432 -4.142 -1.841 5.754 1.00 0.00 H new ATOM 0 HE2 TYR A 432 -6.375 0.247 8.724 1.00 0.00 H new ATOM 0 HH TYR A 432 -5.695 -1.838 8.968 1.00 0.00 H new ATOM 568 N LYS A 433 -6.440 4.871 3.235 1.00 0.00 N ATOM 569 CA LYS A 433 -6.303 6.058 2.400 1.00 0.00 C ATOM 570 C LYS A 433 -6.115 7.312 3.247 1.00 0.00 C ATOM 571 O LYS A 433 -6.863 7.552 4.197 1.00 0.00 O ATOM 572 CB LYS A 433 -7.532 6.216 1.502 1.00 0.00 C ATOM 573 CG LYS A 433 -8.839 6.313 2.273 1.00 0.00 C ATOM 574 CD LYS A 433 -10.040 6.266 1.341 1.00 0.00 C ATOM 575 CE LYS A 433 -11.126 7.235 1.780 1.00 0.00 C ATOM 576 NZ LYS A 433 -11.934 6.690 2.907 1.00 0.00 N ATOM 0 H LYS A 433 -6.677 5.064 4.208 1.00 0.00 H new ATOM 0 HA LYS A 433 -5.416 5.930 1.779 1.00 0.00 H new ATOM 0 HB2 LYS A 433 -7.413 7.111 0.891 1.00 0.00 H new ATOM 0 HB3 LYS A 433 -7.584 5.368 0.819 1.00 0.00 H new ATOM 0 HG2 LYS A 433 -8.901 5.495 2.990 1.00 0.00 H new ATOM 0 HG3 LYS A 433 -8.857 7.240 2.845 1.00 0.00 H new ATOM 0 HD2 LYS A 433 -9.724 6.508 0.326 1.00 0.00 H new ATOM 0 HD3 LYS A 433 -10.443 5.254 1.316 1.00 0.00 H new ATOM 0 HE2 LYS A 433 -10.671 8.178 2.082 1.00 0.00 H new ATOM 0 HE3 LYS A 433 -11.781 7.453 0.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 433 -12.596 7.418 3.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 433 -12.469 5.860 2.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 433 -11.302 6.411 3.684 1.00 0.00 H new ATOM 590 N CYS A 434 -5.115 8.112 2.893 1.00 0.00 N ATOM 591 CA CYS A 434 -4.828 9.347 3.612 1.00 0.00 C ATOM 592 C CYS A 434 -5.984 10.334 3.467 1.00 0.00 C ATOM 593 O CYS A 434 -6.129 10.988 2.434 1.00 0.00 O ATOM 594 CB CYS A 434 -3.534 9.973 3.086 1.00 0.00 C ATOM 595 SG CYS A 434 -2.954 11.393 4.043 1.00 0.00 S ATOM 0 H CYS A 434 -4.488 7.926 2.110 1.00 0.00 H new ATOM 0 HA CYS A 434 -4.705 9.111 4.669 1.00 0.00 H new ATOM 0 HB2 CYS A 434 -2.753 9.212 3.077 1.00 0.00 H new ATOM 0 HB3 CYS A 434 -3.688 10.284 2.053 1.00 0.00 H new ATOM 0 HG CYS A 434 -3.811 12.365 3.940 1.00 0.00 H new ATOM 600 N THR A 435 -6.810 10.427 4.506 1.00 0.00 N ATOM 601 CA THR A 435 -7.959 11.325 4.492 1.00 0.00 C ATOM 602 C THR A 435 -7.651 12.643 5.196 1.00 0.00 C ATOM 603 O THR A 435 -8.064 12.863 6.336 1.00 0.00 O ATOM 604 CB THR A 435 -9.188 10.675 5.158 1.00 0.00 C ATOM 605 OG1 THR A 435 -10.297 11.580 5.130 1.00 0.00 O ATOM 606 CG2 THR A 435 -8.885 10.284 6.598 1.00 0.00 C ATOM 0 H THR A 435 -6.704 9.891 5.367 1.00 0.00 H new ATOM 0 HA THR A 435 -8.182 11.526 3.444 1.00 0.00 H new ATOM 0 HB THR A 435 -9.439 9.773 4.599 1.00 0.00 H new ATOM 0 HG1 THR A 435 -11.074 11.159 5.554 1.00 0.00 H new ATOM 0 HG21 THR A 435 -9.768 9.828 7.045 1.00 0.00 H new ATOM 0 HG22 THR A 435 -8.060 9.571 6.616 1.00 0.00 H new ATOM 0 HG23 THR A 435 -8.609 11.172 7.166 1.00 0.00 H new ATOM 614 N THR A 436 -6.930 13.521 4.507 1.00 0.00 N ATOM 615 CA THR A 436 -6.573 14.822 5.060 1.00 0.00 C ATOM 616 C THR A 436 -7.496 15.912 4.519 1.00 0.00 C ATOM 617 O THR A 436 -8.001 15.806 3.402 1.00 0.00 O ATOM 618 CB THR A 436 -5.110 15.185 4.734 1.00 0.00 C ATOM 619 OG1 THR A 436 -4.405 14.018 4.291 1.00 0.00 O ATOM 620 CG2 THR A 436 -4.406 15.768 5.951 1.00 0.00 C ATOM 0 H THR A 436 -6.581 13.355 3.563 1.00 0.00 H new ATOM 0 HA THR A 436 -6.687 14.757 6.142 1.00 0.00 H new ATOM 0 HB THR A 436 -5.116 15.935 3.943 1.00 0.00 H new ATOM 0 HG1 THR A 436 -3.444 14.209 4.259 1.00 0.00 H new ATOM 0 HG21 THR A 436 -3.376 16.015 5.692 1.00 0.00 H new ATOM 0 HG22 THR A 436 -4.925 16.670 6.274 1.00 0.00 H new ATOM 0 HG23 THR A 436 -4.412 15.037 6.760 1.00 0.00 H new ATOM 628 N PRO A 437 -7.733 16.979 5.304 1.00 0.00 N ATOM 629 CA PRO A 437 -8.604 18.086 4.889 1.00 0.00 C ATOM 630 C PRO A 437 -8.290 18.577 3.478 1.00 0.00 C ATOM 631 O PRO A 437 -9.161 19.104 2.786 1.00 0.00 O ATOM 632 CB PRO A 437 -8.300 19.172 5.919 1.00 0.00 C ATOM 633 CG PRO A 437 -7.894 18.424 7.141 1.00 0.00 C ATOM 634 CD PRO A 437 -7.175 17.194 6.653 1.00 0.00 C ATOM 0 HA PRO A 437 -9.653 17.793 4.855 1.00 0.00 H new ATOM 0 HB2 PRO A 437 -7.504 19.833 5.576 1.00 0.00 H new ATOM 0 HB3 PRO A 437 -9.174 19.796 6.108 1.00 0.00 H new ATOM 0 HG2 PRO A 437 -7.245 19.031 7.773 1.00 0.00 H new ATOM 0 HG3 PRO A 437 -8.763 18.156 7.741 1.00 0.00 H new ATOM 0 HD2 PRO A 437 -6.096 17.346 6.621 1.00 0.00 H new ATOM 0 HD3 PRO A 437 -7.357 16.338 7.303 1.00 0.00 H new ATOM 642 N GLY A 438 -7.043 18.396 3.058 1.00 0.00 N ATOM 643 CA GLY A 438 -6.637 18.821 1.731 1.00 0.00 C ATOM 644 C GLY A 438 -5.805 17.772 1.022 1.00 0.00 C ATOM 645 O GLY A 438 -4.795 18.090 0.392 1.00 0.00 O ATOM 0 H GLY A 438 -6.305 17.962 3.613 1.00 0.00 H new ATOM 0 HA2 GLY A 438 -7.523 19.043 1.136 1.00 0.00 H new ATOM 0 HA3 GLY A 438 -6.065 19.745 1.807 1.00 0.00 H new ATOM 649 N CYS A 439 -6.227 16.516 1.129 1.00 0.00 N ATOM 650 CA CYS A 439 -5.513 15.412 0.496 1.00 0.00 C ATOM 651 C CYS A 439 -6.384 14.160 0.451 1.00 0.00 C ATOM 652 O CYS A 439 -7.095 13.850 1.406 1.00 0.00 O ATOM 653 CB CYS A 439 -4.215 15.128 1.257 1.00 0.00 C ATOM 654 SG CYS A 439 -3.315 13.663 0.693 1.00 0.00 S ATOM 0 H CYS A 439 -7.060 16.237 1.648 1.00 0.00 H new ATOM 0 HA CYS A 439 -5.272 15.696 -0.528 1.00 0.00 H new ATOM 0 HB2 CYS A 439 -3.561 15.996 1.170 1.00 0.00 H new ATOM 0 HB3 CYS A 439 -4.448 15.010 2.315 1.00 0.00 H new ATOM 0 HG CYS A 439 -2.217 13.538 1.378 1.00 0.00 H new ATOM 659 N GLY A 440 -6.322 13.445 -0.669 1.00 0.00 N ATOM 660 CA GLY A 440 -7.109 12.233 -0.821 1.00 0.00 C ATOM 661 C GLY A 440 -6.314 11.099 -1.438 1.00 0.00 C ATOM 662 O GLY A 440 -6.620 10.646 -2.541 1.00 0.00 O ATOM 0 H GLY A 440 -5.742 13.683 -1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 440 -7.483 11.922 0.154 1.00 0.00 H new ATOM 0 HA3 GLY A 440 -7.979 12.444 -1.444 1.00 0.00 H new ATOM 666 N VAL A 441 -5.288 10.640 -0.728 1.00 0.00 N ATOM 667 CA VAL A 441 -4.445 9.553 -1.214 1.00 0.00 C ATOM 668 C VAL A 441 -4.981 8.199 -0.762 1.00 0.00 C ATOM 669 O VAL A 441 -5.468 8.058 0.359 1.00 0.00 O ATOM 670 CB VAL A 441 -2.990 9.710 -0.727 1.00 0.00 C ATOM 671 CG1 VAL A 441 -2.089 8.666 -1.375 1.00 0.00 C ATOM 672 CG2 VAL A 441 -2.480 11.115 -1.007 1.00 0.00 C ATOM 0 H VAL A 441 -5.020 11.004 0.186 1.00 0.00 H new ATOM 0 HA VAL A 441 -4.461 9.600 -2.303 1.00 0.00 H new ATOM 0 HB VAL A 441 -2.971 9.550 0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 441 -1.067 8.795 -1.018 1.00 0.00 H new ATOM 0 HG12 VAL A 441 -2.442 7.668 -1.114 1.00 0.00 H new ATOM 0 HG13 VAL A 441 -2.112 8.787 -2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 441 -1.452 11.206 -0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 441 -2.516 11.308 -2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 441 -3.106 11.840 -0.487 1.00 0.00 H new ATOM 682 N ARG A 442 -4.889 7.206 -1.639 1.00 0.00 N ATOM 683 CA ARG A 442 -5.365 5.862 -1.327 1.00 0.00 C ATOM 684 C ARG A 442 -4.245 4.837 -1.483 1.00 0.00 C ATOM 685 O ARG A 442 -3.566 4.797 -2.508 1.00 0.00 O ATOM 686 CB ARG A 442 -6.542 5.493 -2.232 1.00 0.00 C ATOM 687 CG ARG A 442 -7.648 6.536 -2.247 1.00 0.00 C ATOM 688 CD ARG A 442 -9.024 5.894 -2.162 1.00 0.00 C ATOM 689 NE ARG A 442 -9.335 5.106 -3.351 1.00 0.00 N ATOM 690 CZ ARG A 442 -10.336 4.230 -3.418 1.00 0.00 C ATOM 691 NH1 ARG A 442 -11.122 4.027 -2.369 1.00 0.00 N ATOM 692 NH2 ARG A 442 -10.550 3.554 -4.540 1.00 0.00 N ATOM 0 H ARG A 442 -4.489 7.305 -2.572 1.00 0.00 H new ATOM 0 HA ARG A 442 -5.697 5.853 -0.289 1.00 0.00 H new ATOM 0 HB2 ARG A 442 -6.176 5.348 -3.249 1.00 0.00 H new ATOM 0 HB3 ARG A 442 -6.957 4.540 -1.904 1.00 0.00 H new ATOM 0 HG2 ARG A 442 -7.514 7.222 -1.411 1.00 0.00 H new ATOM 0 HG3 ARG A 442 -7.578 7.128 -3.159 1.00 0.00 H new ATOM 0 HD2 ARG A 442 -9.072 5.254 -1.281 1.00 0.00 H new ATOM 0 HD3 ARG A 442 -9.779 6.670 -2.034 1.00 0.00 H new ATOM 0 HE ARG A 442 -8.752 5.234 -4.178 1.00 0.00 H new ATOM 0 HH11 ARG A 442 -10.962 4.543 -1.504 1.00 0.00 H new ATOM 0 HH12 ARG A 442 -11.887 3.355 -2.427 1.00 0.00 H new ATOM 0 HH21 ARG A 442 -9.948 3.706 -5.349 1.00 0.00 H new ATOM 0 HH22 ARG A 442 -11.316 2.883 -4.593 1.00 0.00 H new ATOM 706 N LYS A 443 -4.063 4.008 -0.459 1.00 0.00 N ATOM 707 CA LYS A 443 -3.026 2.981 -0.483 1.00 0.00 C ATOM 708 C LYS A 443 -3.627 1.596 -0.256 1.00 0.00 C ATOM 709 O LYS A 443 -4.757 1.469 0.214 1.00 0.00 O ATOM 710 CB LYS A 443 -1.967 3.269 0.584 1.00 0.00 C ATOM 711 CG LYS A 443 -2.495 3.185 2.007 1.00 0.00 C ATOM 712 CD LYS A 443 -1.365 3.014 3.010 1.00 0.00 C ATOM 713 CE LYS A 443 -1.899 2.747 4.407 1.00 0.00 C ATOM 714 NZ LYS A 443 -0.802 2.618 5.407 1.00 0.00 N ATOM 0 H LYS A 443 -4.619 4.027 0.396 1.00 0.00 H new ATOM 0 HA LYS A 443 -2.556 2.999 -1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 443 -1.146 2.562 0.468 1.00 0.00 H new ATOM 0 HB3 LYS A 443 -1.556 4.265 0.416 1.00 0.00 H new ATOM 0 HG2 LYS A 443 -3.058 4.089 2.242 1.00 0.00 H new ATOM 0 HG3 LYS A 443 -3.187 2.347 2.091 1.00 0.00 H new ATOM 0 HD2 LYS A 443 -0.723 2.189 2.700 1.00 0.00 H new ATOM 0 HD3 LYS A 443 -0.747 3.912 3.021 1.00 0.00 H new ATOM 0 HE2 LYS A 443 -2.565 3.558 4.702 1.00 0.00 H new ATOM 0 HE3 LYS A 443 -2.493 1.833 4.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 443 -1.209 2.436 6.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 443 -0.180 1.828 5.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 443 -0.250 3.499 5.433 1.00 0.00 H new ATOM 728 N HIS A 444 -2.862 0.563 -0.594 1.00 0.00 N ATOM 729 CA HIS A 444 -3.319 -0.813 -0.427 1.00 0.00 C ATOM 730 C HIS A 444 -2.335 -1.611 0.423 1.00 0.00 C ATOM 731 O HIS A 444 -1.144 -1.303 0.465 1.00 0.00 O ATOM 732 CB HIS A 444 -3.496 -1.489 -1.789 1.00 0.00 C ATOM 733 CG HIS A 444 -4.037 -0.581 -2.849 1.00 0.00 C ATOM 734 ND1 HIS A 444 -3.385 -0.341 -4.041 1.00 0.00 N ATOM 735 CD2 HIS A 444 -5.177 0.152 -2.893 1.00 0.00 C ATOM 736 CE1 HIS A 444 -4.099 0.499 -4.770 1.00 0.00 C ATOM 737 NE2 HIS A 444 -5.189 0.811 -4.097 1.00 0.00 N ATOM 0 H HIS A 444 -1.924 0.652 -0.985 1.00 0.00 H new ATOM 0 HA HIS A 444 -4.282 -0.788 0.084 1.00 0.00 H new ATOM 0 HB2 HIS A 444 -2.534 -1.882 -2.117 1.00 0.00 H new ATOM 0 HB3 HIS A 444 -4.167 -2.341 -1.677 1.00 0.00 H new ATOM 0 HD2 HIS A 444 -5.934 0.207 -2.125 1.00 0.00 H new ATOM 0 HE1 HIS A 444 -3.835 0.867 -5.750 1.00 0.00 H new ATOM 0 HE2 HIS A 444 -5.923 1.441 -4.419 1.00 0.00 H new ATOM 746 N VAL A 445 -2.840 -2.637 1.099 1.00 0.00 N ATOM 747 CA VAL A 445 -2.007 -3.479 1.948 1.00 0.00 C ATOM 748 C VAL A 445 -2.296 -4.957 1.712 1.00 0.00 C ATOM 749 O VAL A 445 -3.376 -5.448 2.042 1.00 0.00 O ATOM 750 CB VAL A 445 -2.218 -3.158 3.440 1.00 0.00 C ATOM 751 CG1 VAL A 445 -1.207 -3.906 4.296 1.00 0.00 C ATOM 752 CG2 VAL A 445 -2.127 -1.659 3.681 1.00 0.00 C ATOM 0 H VAL A 445 -3.824 -2.906 1.075 1.00 0.00 H new ATOM 0 HA VAL A 445 -0.971 -3.267 1.682 1.00 0.00 H new ATOM 0 HB VAL A 445 -3.216 -3.489 3.727 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -1.372 -3.667 5.347 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -1.326 -4.979 4.145 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -0.198 -3.609 4.010 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -2.279 -1.451 4.740 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -1.143 -1.301 3.378 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -2.894 -1.149 3.098 1.00 0.00 H new ATOM 762 N GLU A 446 -1.326 -5.661 1.137 1.00 0.00 N ATOM 763 CA GLU A 446 -1.477 -7.085 0.857 1.00 0.00 C ATOM 764 C GLU A 446 -0.376 -7.894 1.535 1.00 0.00 C ATOM 765 O GLU A 446 0.800 -7.540 1.462 1.00 0.00 O ATOM 766 CB GLU A 446 -1.453 -7.333 -0.653 1.00 0.00 C ATOM 767 CG GLU A 446 -2.605 -6.678 -1.396 1.00 0.00 C ATOM 768 CD GLU A 446 -2.205 -5.372 -2.054 1.00 0.00 C ATOM 769 OE1 GLU A 446 -1.435 -4.607 -1.436 1.00 0.00 O ATOM 770 OE2 GLU A 446 -2.663 -5.113 -3.187 1.00 0.00 O ATOM 0 H GLU A 446 -0.427 -5.269 0.856 1.00 0.00 H new ATOM 0 HA GLU A 446 -2.438 -7.409 1.257 1.00 0.00 H new ATOM 0 HB2 GLU A 446 -0.512 -6.961 -1.059 1.00 0.00 H new ATOM 0 HB3 GLU A 446 -1.477 -8.407 -0.837 1.00 0.00 H new ATOM 0 HG2 GLU A 446 -2.980 -7.364 -2.156 1.00 0.00 H new ATOM 0 HG3 GLU A 446 -3.424 -6.495 -0.701 1.00 0.00 H new ATOM 777 N ARG A 447 -0.767 -8.981 2.192 1.00 0.00 N ATOM 778 CA ARG A 447 0.188 -9.840 2.883 1.00 0.00 C ATOM 779 C ARG A 447 0.442 -11.118 2.090 1.00 0.00 C ATOM 780 O ARG A 447 -0.375 -12.037 2.095 1.00 0.00 O ATOM 781 CB ARG A 447 -0.327 -10.189 4.281 1.00 0.00 C ATOM 782 CG ARG A 447 0.089 -9.191 5.350 1.00 0.00 C ATOM 783 CD ARG A 447 -0.637 -9.443 6.660 1.00 0.00 C ATOM 784 NE ARG A 447 -0.080 -8.653 7.756 1.00 0.00 N ATOM 785 CZ ARG A 447 -0.339 -7.360 7.945 1.00 0.00 C ATOM 786 NH1 ARG A 447 -1.147 -6.711 7.115 1.00 0.00 N ATOM 787 NH2 ARG A 447 0.209 -6.717 8.967 1.00 0.00 N ATOM 0 H ARG A 447 -1.737 -9.288 2.261 1.00 0.00 H new ATOM 0 HA ARG A 447 1.128 -9.296 2.974 1.00 0.00 H new ATOM 0 HB2 ARG A 447 -1.415 -10.247 4.254 1.00 0.00 H new ATOM 0 HB3 ARG A 447 0.039 -11.178 4.557 1.00 0.00 H new ATOM 0 HG2 ARG A 447 1.165 -9.256 5.511 1.00 0.00 H new ATOM 0 HG3 ARG A 447 -0.121 -8.178 5.005 1.00 0.00 H new ATOM 0 HD2 ARG A 447 -1.694 -9.203 6.541 1.00 0.00 H new ATOM 0 HD3 ARG A 447 -0.577 -10.502 6.910 1.00 0.00 H new ATOM 0 HE ARG A 447 0.544 -9.119 8.415 1.00 0.00 H new ATOM 0 HH11 ARG A 447 -1.572 -7.202 6.329 1.00 0.00 H new ATOM 0 HH12 ARG A 447 -1.342 -5.721 7.264 1.00 0.00 H new ATOM 0 HH21 ARG A 447 0.829 -7.212 9.608 1.00 0.00 H new ATOM 0 HH22 ARG A 447 0.011 -5.727 9.112 1.00 0.00 H new ATOM 801 N ALA A 448 1.581 -11.166 1.406 1.00 0.00 N ATOM 802 CA ALA A 448 1.943 -12.331 0.606 1.00 0.00 C ATOM 803 C ALA A 448 2.033 -13.584 1.472 1.00 0.00 C ATOM 804 O ALA A 448 2.838 -13.653 2.401 1.00 0.00 O ATOM 805 CB ALA A 448 3.261 -12.085 -0.115 1.00 0.00 C ATOM 0 H ALA A 448 2.268 -10.413 1.390 1.00 0.00 H new ATOM 0 HA ALA A 448 1.161 -12.492 -0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 448 3.520 -12.962 -0.709 1.00 0.00 H new ATOM 0 HB2 ALA A 448 3.161 -11.220 -0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 448 4.047 -11.897 0.617 1.00 0.00 H new ATOM 811 N ALA A 449 1.201 -14.573 1.160 1.00 0.00 N ATOM 812 CA ALA A 449 1.186 -15.825 1.906 1.00 0.00 C ATOM 813 C ALA A 449 2.192 -16.821 1.339 1.00 0.00 C ATOM 814 O ALA A 449 2.643 -17.729 2.039 1.00 0.00 O ATOM 815 CB ALA A 449 -0.213 -16.424 1.898 1.00 0.00 C ATOM 0 H ALA A 449 0.528 -14.531 0.395 1.00 0.00 H new ATOM 0 HA ALA A 449 1.474 -15.608 2.934 1.00 0.00 H new ATOM 0 HB1 ALA A 449 -0.212 -17.359 2.458 1.00 0.00 H new ATOM 0 HB2 ALA A 449 -0.911 -15.725 2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 449 -0.520 -16.617 0.870 1.00 0.00 H new ATOM 821 N THR A 450 2.541 -16.650 0.066 1.00 0.00 N ATOM 822 CA THR A 450 3.492 -17.537 -0.595 1.00 0.00 C ATOM 823 C THR A 450 4.788 -17.652 0.203 1.00 0.00 C ATOM 824 O THR A 450 5.422 -18.707 0.226 1.00 0.00 O ATOM 825 CB THR A 450 3.822 -17.047 -2.016 1.00 0.00 C ATOM 826 OG1 THR A 450 4.312 -15.702 -1.971 1.00 0.00 O ATOM 827 CG2 THR A 450 2.593 -17.114 -2.910 1.00 0.00 C ATOM 0 H THR A 450 2.178 -15.904 -0.528 1.00 0.00 H new ATOM 0 HA THR A 450 3.018 -18.517 -0.656 1.00 0.00 H new ATOM 0 HB THR A 450 4.591 -17.699 -2.431 1.00 0.00 H new ATOM 0 HG1 THR A 450 4.521 -15.399 -2.879 1.00 0.00 H new ATOM 0 HG21 THR A 450 2.850 -16.763 -3.909 1.00 0.00 H new ATOM 0 HG22 THR A 450 2.240 -18.144 -2.967 1.00 0.00 H new ATOM 0 HG23 THR A 450 1.807 -16.483 -2.495 1.00 0.00 H new ATOM 835 N ASP A 451 5.175 -16.562 0.855 1.00 0.00 N ATOM 836 CA ASP A 451 6.394 -16.542 1.654 1.00 0.00 C ATOM 837 C ASP A 451 6.076 -16.712 3.138 1.00 0.00 C ATOM 838 O ASP A 451 4.944 -16.492 3.567 1.00 0.00 O ATOM 839 CB ASP A 451 7.155 -15.234 1.427 1.00 0.00 C ATOM 840 CG ASP A 451 8.598 -15.466 1.022 1.00 0.00 C ATOM 841 OD1 ASP A 451 8.833 -16.284 0.108 1.00 0.00 O ATOM 842 OD2 ASP A 451 9.493 -14.831 1.619 1.00 0.00 O ATOM 0 H ASP A 451 4.662 -15.680 0.846 1.00 0.00 H new ATOM 0 HA ASP A 451 7.020 -17.377 1.339 1.00 0.00 H new ATOM 0 HB2 ASP A 451 6.652 -14.654 0.653 1.00 0.00 H new ATOM 0 HB3 ASP A 451 7.128 -14.638 2.339 1.00 0.00 H new ATOM 847 N PRO A 452 7.076 -17.108 3.946 1.00 0.00 N ATOM 848 CA PRO A 452 6.894 -17.306 5.387 1.00 0.00 C ATOM 849 C PRO A 452 6.253 -16.098 6.061 1.00 0.00 C ATOM 850 O PRO A 452 5.578 -16.231 7.083 1.00 0.00 O ATOM 851 CB PRO A 452 8.321 -17.511 5.901 1.00 0.00 C ATOM 852 CG PRO A 452 9.074 -18.037 4.728 1.00 0.00 C ATOM 853 CD PRO A 452 8.458 -17.392 3.517 1.00 0.00 C ATOM 0 HA PRO A 452 6.226 -18.140 5.603 1.00 0.00 H new ATOM 0 HB2 PRO A 452 8.751 -16.576 6.260 1.00 0.00 H new ATOM 0 HB3 PRO A 452 8.345 -18.213 6.734 1.00 0.00 H new ATOM 0 HG2 PRO A 452 10.134 -17.793 4.803 1.00 0.00 H new ATOM 0 HG3 PRO A 452 9.000 -19.123 4.672 1.00 0.00 H new ATOM 0 HD2 PRO A 452 8.986 -16.481 3.235 1.00 0.00 H new ATOM 0 HD3 PRO A 452 8.482 -18.055 2.653 1.00 0.00 H new ATOM 861 N LYS A 453 6.464 -14.921 5.480 1.00 0.00 N ATOM 862 CA LYS A 453 5.906 -13.688 6.022 1.00 0.00 C ATOM 863 C LYS A 453 6.231 -12.503 5.121 1.00 0.00 C ATOM 864 O LYS A 453 7.126 -11.711 5.421 1.00 0.00 O ATOM 865 CB LYS A 453 6.443 -13.436 7.433 1.00 0.00 C ATOM 866 CG LYS A 453 5.630 -12.422 8.220 1.00 0.00 C ATOM 867 CD LYS A 453 6.504 -11.630 9.179 1.00 0.00 C ATOM 868 CE LYS A 453 5.684 -10.647 10.000 1.00 0.00 C ATOM 869 NZ LYS A 453 6.537 -9.839 10.913 1.00 0.00 N ATOM 0 H LYS A 453 7.018 -14.796 4.633 1.00 0.00 H new ATOM 0 HA LYS A 453 4.823 -13.799 6.069 1.00 0.00 H new ATOM 0 HB2 LYS A 453 6.461 -14.379 7.980 1.00 0.00 H new ATOM 0 HB3 LYS A 453 7.474 -13.088 7.364 1.00 0.00 H new ATOM 0 HG2 LYS A 453 5.133 -11.739 7.531 1.00 0.00 H new ATOM 0 HG3 LYS A 453 4.848 -12.936 8.779 1.00 0.00 H new ATOM 0 HD2 LYS A 453 7.027 -12.315 9.846 1.00 0.00 H new ATOM 0 HD3 LYS A 453 7.265 -11.089 8.617 1.00 0.00 H new ATOM 0 HE2 LYS A 453 5.138 -9.982 9.331 1.00 0.00 H new ATOM 0 HE3 LYS A 453 4.942 -11.192 10.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 453 5.940 -9.182 11.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 453 7.039 -10.471 11.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 453 7.229 -9.299 10.355 1.00 0.00 H new ATOM 883 N ALA A 454 5.502 -12.385 4.018 1.00 0.00 N ATOM 884 CA ALA A 454 5.713 -11.295 3.074 1.00 0.00 C ATOM 885 C ALA A 454 4.584 -10.274 3.155 1.00 0.00 C ATOM 886 O ALA A 454 3.411 -10.636 3.251 1.00 0.00 O ATOM 887 CB ALA A 454 5.836 -11.838 1.659 1.00 0.00 C ATOM 0 H ALA A 454 4.758 -13.032 3.755 1.00 0.00 H new ATOM 0 HA ALA A 454 6.643 -10.792 3.339 1.00 0.00 H new ATOM 0 HB1 ALA A 454 5.993 -11.012 0.965 1.00 0.00 H new ATOM 0 HB2 ALA A 454 6.681 -12.524 1.605 1.00 0.00 H new ATOM 0 HB3 ALA A 454 4.922 -12.368 1.392 1.00 0.00 H new ATOM 893 N VAL A 455 4.946 -8.995 3.118 1.00 0.00 N ATOM 894 CA VAL A 455 3.962 -7.922 3.188 1.00 0.00 C ATOM 895 C VAL A 455 4.328 -6.778 2.250 1.00 0.00 C ATOM 896 O VAL A 455 5.234 -5.994 2.534 1.00 0.00 O ATOM 897 CB VAL A 455 3.831 -7.372 4.621 1.00 0.00 C ATOM 898 CG1 VAL A 455 2.669 -6.398 4.717 1.00 0.00 C ATOM 899 CG2 VAL A 455 3.665 -8.512 5.616 1.00 0.00 C ATOM 0 H VAL A 455 5.912 -8.678 3.040 1.00 0.00 H new ATOM 0 HA VAL A 455 3.007 -8.349 2.881 1.00 0.00 H new ATOM 0 HB VAL A 455 4.746 -6.833 4.868 1.00 0.00 H new ATOM 0 HG11 VAL A 455 2.594 -6.021 5.737 1.00 0.00 H new ATOM 0 HG12 VAL A 455 2.835 -5.565 4.034 1.00 0.00 H new ATOM 0 HG13 VAL A 455 1.744 -6.908 4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 455 3.574 -8.105 6.623 1.00 0.00 H new ATOM 0 HG22 VAL A 455 2.768 -9.080 5.372 1.00 0.00 H new ATOM 0 HG23 VAL A 455 4.534 -9.168 5.567 1.00 0.00 H new ATOM 909 N VAL A 456 3.619 -6.686 1.131 1.00 0.00 N ATOM 910 CA VAL A 456 3.868 -5.637 0.150 1.00 0.00 C ATOM 911 C VAL A 456 2.857 -4.503 0.289 1.00 0.00 C ATOM 912 O VAL A 456 1.687 -4.736 0.592 1.00 0.00 O ATOM 913 CB VAL A 456 3.817 -6.190 -1.289 1.00 0.00 C ATOM 914 CG1 VAL A 456 2.443 -6.764 -1.595 1.00 0.00 C ATOM 915 CG2 VAL A 456 4.188 -5.108 -2.293 1.00 0.00 C ATOM 0 H VAL A 456 2.866 -7.327 0.880 1.00 0.00 H new ATOM 0 HA VAL A 456 4.868 -5.250 0.345 1.00 0.00 H new ATOM 0 HB VAL A 456 4.547 -6.995 -1.373 1.00 0.00 H new ATOM 0 HG11 VAL A 456 2.428 -7.149 -2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 456 2.223 -7.573 -0.899 1.00 0.00 H new ATOM 0 HG13 VAL A 456 1.691 -5.982 -1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 456 4.146 -5.518 -3.302 1.00 0.00 H new ATOM 0 HG22 VAL A 456 3.487 -4.278 -2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 456 5.198 -4.752 -2.088 1.00 0.00 H new ATOM 925 N THR A 457 3.316 -3.276 0.066 1.00 0.00 N ATOM 926 CA THR A 457 2.453 -2.106 0.166 1.00 0.00 C ATOM 927 C THR A 457 2.485 -1.286 -1.119 1.00 0.00 C ATOM 928 O THR A 457 3.451 -1.346 -1.882 1.00 0.00 O ATOM 929 CB THR A 457 2.862 -1.206 1.347 1.00 0.00 C ATOM 930 OG1 THR A 457 3.560 -1.976 2.332 1.00 0.00 O ATOM 931 CG2 THR A 457 1.641 -0.553 1.978 1.00 0.00 C ATOM 0 H THR A 457 4.282 -3.067 -0.185 1.00 0.00 H new ATOM 0 HA THR A 457 1.441 -2.474 0.333 1.00 0.00 H new ATOM 0 HB THR A 457 3.518 -0.423 0.967 1.00 0.00 H new ATOM 0 HG1 THR A 457 3.818 -1.396 3.078 1.00 0.00 H new ATOM 0 HG21 THR A 457 1.955 0.078 2.810 1.00 0.00 H new ATOM 0 HG22 THR A 457 1.129 0.056 1.234 1.00 0.00 H new ATOM 0 HG23 THR A 457 0.964 -1.325 2.343 1.00 0.00 H new ATOM 939 N THR A 458 1.425 -0.519 -1.353 1.00 0.00 N ATOM 940 CA THR A 458 1.333 0.313 -2.546 1.00 0.00 C ATOM 941 C THR A 458 0.876 1.726 -2.195 1.00 0.00 C ATOM 942 O THR A 458 0.208 1.939 -1.184 1.00 0.00 O ATOM 943 CB THR A 458 0.359 -0.288 -3.577 1.00 0.00 C ATOM 944 OG1 THR A 458 -0.569 -1.160 -2.924 1.00 0.00 O ATOM 945 CG2 THR A 458 1.114 -1.058 -4.650 1.00 0.00 C ATOM 0 H THR A 458 0.618 -0.457 -0.732 1.00 0.00 H new ATOM 0 HA THR A 458 2.331 0.353 -2.982 1.00 0.00 H new ATOM 0 HB THR A 458 -0.183 0.530 -4.051 1.00 0.00 H new ATOM 0 HG1 THR A 458 -1.462 -1.034 -3.308 1.00 0.00 H new ATOM 0 HG21 THR A 458 0.405 -1.473 -5.367 1.00 0.00 H new ATOM 0 HG22 THR A 458 1.800 -0.386 -5.166 1.00 0.00 H new ATOM 0 HG23 THR A 458 1.679 -1.868 -4.188 1.00 0.00 H new ATOM 953 N TYR A 459 1.242 2.687 -3.036 1.00 0.00 N ATOM 954 CA TYR A 459 0.871 4.080 -2.815 1.00 0.00 C ATOM 955 C TYR A 459 0.338 4.711 -4.097 1.00 0.00 C ATOM 956 O TYR A 459 1.055 4.824 -5.091 1.00 0.00 O ATOM 957 CB TYR A 459 2.073 4.876 -2.303 1.00 0.00 C ATOM 958 CG TYR A 459 2.213 4.859 -0.798 1.00 0.00 C ATOM 959 CD1 TYR A 459 2.654 3.719 -0.135 1.00 0.00 C ATOM 960 CD2 TYR A 459 1.903 5.980 -0.039 1.00 0.00 C ATOM 961 CE1 TYR A 459 2.783 3.700 1.241 1.00 0.00 C ATOM 962 CE2 TYR A 459 2.030 5.969 1.338 1.00 0.00 C ATOM 963 CZ TYR A 459 2.470 4.827 1.972 1.00 0.00 C ATOM 964 OH TYR A 459 2.596 4.810 3.342 1.00 0.00 O ATOM 0 H TYR A 459 1.796 2.527 -3.878 1.00 0.00 H new ATOM 0 HA TYR A 459 0.082 4.104 -2.064 1.00 0.00 H new ATOM 0 HB2 TYR A 459 2.982 4.472 -2.749 1.00 0.00 H new ATOM 0 HB3 TYR A 459 1.984 5.909 -2.640 1.00 0.00 H new ATOM 0 HD1 TYR A 459 2.900 2.835 -0.704 1.00 0.00 H new ATOM 0 HD2 TYR A 459 1.557 6.876 -0.533 1.00 0.00 H new ATOM 0 HE1 TYR A 459 3.127 2.807 1.741 1.00 0.00 H new ATOM 0 HE2 TYR A 459 1.786 6.850 1.913 1.00 0.00 H new ATOM 0 HH TYR A 459 2.337 5.683 3.705 1.00 0.00 H new ATOM 974 N GLU A 460 -0.927 5.123 -4.067 1.00 0.00 N ATOM 975 CA GLU A 460 -1.557 5.743 -5.226 1.00 0.00 C ATOM 976 C GLU A 460 -1.980 7.176 -4.914 1.00 0.00 C ATOM 977 O GLU A 460 -2.837 7.409 -4.062 1.00 0.00 O ATOM 978 CB GLU A 460 -2.772 4.926 -5.670 1.00 0.00 C ATOM 979 CG GLU A 460 -2.443 3.861 -6.704 1.00 0.00 C ATOM 980 CD GLU A 460 -3.478 3.781 -7.807 1.00 0.00 C ATOM 981 OE1 GLU A 460 -4.490 3.071 -7.623 1.00 0.00 O ATOM 982 OE2 GLU A 460 -3.278 4.427 -8.857 1.00 0.00 O ATOM 0 H GLU A 460 -1.535 5.038 -3.252 1.00 0.00 H new ATOM 0 HA GLU A 460 -0.828 5.766 -6.036 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -3.217 4.448 -4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -3.523 5.601 -6.081 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -1.467 4.073 -7.141 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -2.367 2.892 -6.211 1.00 0.00 H new ATOM 989 N GLY A 461 -1.370 8.131 -5.608 1.00 0.00 N ATOM 990 CA GLY A 461 -1.697 9.528 -5.390 1.00 0.00 C ATOM 991 C GLY A 461 -0.647 10.248 -4.567 1.00 0.00 C ATOM 992 O GLY A 461 0.018 9.640 -3.728 1.00 0.00 O ATOM 0 H GLY A 461 -0.656 7.963 -6.317 1.00 0.00 H new ATOM 0 HA2 GLY A 461 -1.805 10.027 -6.353 1.00 0.00 H new ATOM 0 HA3 GLY A 461 -2.661 9.598 -4.885 1.00 0.00 H new ATOM 996 N LYS A 462 -0.498 11.547 -4.805 1.00 0.00 N ATOM 997 CA LYS A 462 0.478 12.350 -4.080 1.00 0.00 C ATOM 998 C LYS A 462 -0.194 13.148 -2.967 1.00 0.00 C ATOM 999 O LYS A 462 -1.379 13.472 -3.050 1.00 0.00 O ATOM 1000 CB LYS A 462 1.203 13.298 -5.039 1.00 0.00 C ATOM 1001 CG LYS A 462 2.578 12.801 -5.460 1.00 0.00 C ATOM 1002 CD LYS A 462 2.760 12.862 -6.969 1.00 0.00 C ATOM 1003 CE LYS A 462 2.677 11.480 -7.597 1.00 0.00 C ATOM 1004 NZ LYS A 462 3.338 11.435 -8.930 1.00 0.00 N ATOM 0 H LYS A 462 -1.041 12.066 -5.495 1.00 0.00 H new ATOM 0 HA LYS A 462 1.205 11.675 -3.630 1.00 0.00 H new ATOM 0 HB2 LYS A 462 0.589 13.442 -5.928 1.00 0.00 H new ATOM 0 HB3 LYS A 462 1.308 14.273 -4.563 1.00 0.00 H new ATOM 0 HG2 LYS A 462 3.347 13.403 -4.976 1.00 0.00 H new ATOM 0 HG3 LYS A 462 2.715 11.775 -5.118 1.00 0.00 H new ATOM 0 HD2 LYS A 462 1.995 13.506 -7.403 1.00 0.00 H new ATOM 0 HD3 LYS A 462 3.725 13.311 -7.202 1.00 0.00 H new ATOM 0 HE2 LYS A 462 3.145 10.752 -6.935 1.00 0.00 H new ATOM 0 HE3 LYS A 462 1.631 11.191 -7.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 462 3.259 10.476 -9.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 462 2.875 12.111 -9.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 462 4.342 11.686 -8.828 1.00 0.00 H new ATOM 1018 N HIS A 463 0.570 13.463 -1.927 1.00 0.00 N ATOM 1019 CA HIS A 463 0.048 14.224 -0.798 1.00 0.00 C ATOM 1020 C HIS A 463 -0.035 15.709 -1.134 1.00 0.00 C ATOM 1021 O HIS A 463 0.883 16.273 -1.729 1.00 0.00 O ATOM 1022 CB HIS A 463 0.931 14.016 0.435 1.00 0.00 C ATOM 1023 CG HIS A 463 0.938 12.607 0.937 1.00 0.00 C ATOM 1024 ND1 HIS A 463 -0.050 12.091 1.747 1.00 0.00 N ATOM 1025 CD2 HIS A 463 1.822 11.600 0.740 1.00 0.00 C ATOM 1026 CE1 HIS A 463 0.224 10.829 2.028 1.00 0.00 C ATOM 1027 NE2 HIS A 463 1.355 10.506 1.427 1.00 0.00 N ATOM 0 H HIS A 463 1.553 13.203 -1.842 1.00 0.00 H new ATOM 0 HA HIS A 463 -0.958 13.863 -0.582 1.00 0.00 H new ATOM 0 HB2 HIS A 463 1.952 14.312 0.194 1.00 0.00 H new ATOM 0 HB3 HIS A 463 0.588 14.675 1.232 1.00 0.00 H new ATOM 0 HD2 HIS A 463 2.726 11.648 0.152 1.00 0.00 H new ATOM 0 HE1 HIS A 463 -0.374 10.174 2.644 1.00 0.00 H new ATOM 0 HE2 HIS A 463 1.808 9.593 1.467 1.00 0.00 H new ATOM 1035 N ASN A 464 -1.141 16.336 -0.748 1.00 0.00 N ATOM 1036 CA ASN A 464 -1.344 17.757 -1.007 1.00 0.00 C ATOM 1037 C ASN A 464 -1.142 18.576 0.264 1.00 0.00 C ATOM 1038 O ASN A 464 -1.761 19.624 0.443 1.00 0.00 O ATOM 1039 CB ASN A 464 -2.746 17.999 -1.569 1.00 0.00 C ATOM 1040 CG ASN A 464 -2.761 18.048 -3.084 1.00 0.00 C ATOM 1041 OD1 ASN A 464 -1.805 18.505 -3.712 1.00 0.00 O ATOM 1042 ND2 ASN A 464 -3.850 17.576 -3.681 1.00 0.00 N ATOM 0 H ASN A 464 -1.910 15.883 -0.255 1.00 0.00 H new ATOM 0 HA ASN A 464 -0.606 18.076 -1.743 1.00 0.00 H new ATOM 0 HB2 ASN A 464 -3.413 17.208 -1.227 1.00 0.00 H new ATOM 0 HB3 ASN A 464 -3.136 18.937 -1.174 1.00 0.00 H new ATOM 0 HD21 ASN A 464 -3.917 17.583 -4.699 1.00 0.00 H new ATOM 0 HD22 ASN A 464 -4.619 17.206 -3.122 1.00 0.00 H new ATOM 1049 N HIS A 465 -0.272 18.090 1.143 1.00 0.00 N ATOM 1050 CA HIS A 465 0.011 18.776 2.397 1.00 0.00 C ATOM 1051 C HIS A 465 1.415 18.447 2.894 1.00 0.00 C ATOM 1052 O HIS A 465 2.043 17.496 2.428 1.00 0.00 O ATOM 1053 CB HIS A 465 -1.020 18.390 3.459 1.00 0.00 C ATOM 1054 CG HIS A 465 -1.080 16.918 3.727 1.00 0.00 C ATOM 1055 ND1 HIS A 465 -0.773 16.363 4.951 1.00 0.00 N ATOM 1056 CD2 HIS A 465 -1.417 15.884 2.921 1.00 0.00 C ATOM 1057 CE1 HIS A 465 -0.920 15.051 4.887 1.00 0.00 C ATOM 1058 NE2 HIS A 465 -1.311 14.735 3.667 1.00 0.00 N ATOM 0 H HIS A 465 0.249 17.223 1.009 1.00 0.00 H new ATOM 0 HA HIS A 465 -0.049 19.849 2.215 1.00 0.00 H new ATOM 0 HB2 HIS A 465 -0.786 18.911 4.387 1.00 0.00 H new ATOM 0 HB3 HIS A 465 -2.004 18.734 3.140 1.00 0.00 H new ATOM 0 HD2 HIS A 465 -1.714 15.950 1.885 1.00 0.00 H new ATOM 0 HE1 HIS A 465 -0.749 14.356 5.696 1.00 0.00 H new ATOM 0 HE2 HIS A 465 -1.503 13.791 3.332 1.00 0.00 H new