USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 582 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 456 GLN : amide:sc= 0.611 K(o=1.4,f=-0.61) USER MOD Set 1.2: A 460 GLN : amide:sc= 0.793 K(o=1.4,f=-0.21) USER MOD Set 2.1: A 406 TYR OH : rot 180:sc= 0.0852 USER MOD Set 2.2: A 475 GLN : amide:sc= 0.162 X(o=0.25,f=0.21) USER MOD Set 3.1: A 402 ASN : amide:sc= 0.972 K(o=1.4,f=-3.8!) USER MOD Set 3.2: A 448 SER OG : rot 95:sc= 0.457 USER MOD Set 4.1: A 393 SER OG : rot 140:sc= 0.398 USER MOD Set 4.2: A 395 LYS NZ :NH3+ 160:sc= 0.813 (180deg=0.083) USER MOD Single : A 394 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 407 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 410 GLN : amide:sc= 1.17 K(o=1.2,f=-3.1!) USER MOD Single : A 415 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 419 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 420 MET CE :methyl 163:sc= 0 (180deg=-0.654) USER MOD Single : A 422 MET CE :methyl -170:sc= -0.0895 (180deg=-0.155) USER MOD Single : A 426 ASN : amide:sc= -0.0264 K(o=-0.026,f=-0.95) USER MOD Single : A 429 SER OG : rot 173:sc= 0.176 USER MOD Single : A 431 LYS NZ :NH3+ -177:sc= 1.18 (180deg=1.18) USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 CYS SG : rot -77:sc= 0.0516 USER MOD Single : A 449 TYR OH : rot -157:sc= 1.15 USER MOD Single : A 451 ASN : amide:sc= -0.271 X(o=-0.27,f=-0.27) USER MOD Single : A 454 SER OG : rot 180:sc= 0 USER MOD Single : A 461 SER OG : rot 98:sc= 1.12 USER MOD Single : A 462 MET CE :methyl -159:sc=-0.00779 (180deg=-0.487) USER MOD Single : A 463 ASN : amide:sc= 0.813 K(o=0.81,f=-7.2!) USER MOD Single : A 466 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 477 LYS NZ :NH3+ -145:sc= 1.24 (180deg=0.605) USER MOD ----------------------------------------------------------------- ATOM 182 N ALA A 391 -9.970 1.991 -2.206 1.00 0.00 N ATOM 183 CA ALA A 391 -9.924 0.682 -1.547 1.00 0.00 C ATOM 184 C ALA A 391 -10.424 -0.408 -2.506 1.00 0.00 C ATOM 185 O ALA A 391 -11.610 -0.466 -2.836 1.00 0.00 O ATOM 186 CB ALA A 391 -10.757 0.738 -0.261 1.00 0.00 C ATOM 0 HA ALA A 391 -8.898 0.432 -1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -10.727 -0.232 0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -10.348 1.498 0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -11.789 0.988 -0.507 1.00 0.00 H new ATOM 192 N GLY A 392 -9.503 -1.259 -2.962 1.00 0.00 N ATOM 193 CA GLY A 392 -9.753 -2.284 -3.981 1.00 0.00 C ATOM 194 C GLY A 392 -9.388 -1.833 -5.396 1.00 0.00 C ATOM 195 O GLY A 392 -9.471 -2.636 -6.324 1.00 0.00 O ATOM 0 H GLY A 392 -8.540 -1.256 -2.626 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -9.182 -3.179 -3.734 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -10.807 -2.561 -3.956 1.00 0.00 H new ATOM 199 N SER A 393 -8.959 -0.583 -5.577 1.00 0.00 N ATOM 200 CA SER A 393 -8.363 -0.124 -6.837 1.00 0.00 C ATOM 201 C SER A 393 -6.973 -0.754 -7.050 1.00 0.00 C ATOM 202 O SER A 393 -6.269 -1.102 -6.098 1.00 0.00 O ATOM 203 CB SER A 393 -8.240 1.410 -6.867 1.00 0.00 C ATOM 204 OG SER A 393 -9.425 2.039 -7.321 1.00 0.00 O ATOM 0 H SER A 393 -9.014 0.139 -4.859 1.00 0.00 H new ATOM 0 HA SER A 393 -9.025 -0.440 -7.643 1.00 0.00 H new ATOM 0 HB2 SER A 393 -8.000 1.772 -5.867 1.00 0.00 H new ATOM 0 HB3 SER A 393 -7.411 1.692 -7.516 1.00 0.00 H new ATOM 0 HG SER A 393 -9.593 2.844 -6.787 1.00 0.00 H new ATOM 210 N GLN A 394 -6.561 -0.869 -8.315 1.00 0.00 N ATOM 211 CA GLN A 394 -5.195 -1.228 -8.719 1.00 0.00 C ATOM 212 C GLN A 394 -4.650 -0.191 -9.727 1.00 0.00 C ATOM 213 O GLN A 394 -3.781 -0.480 -10.551 1.00 0.00 O ATOM 214 CB GLN A 394 -5.151 -2.688 -9.209 1.00 0.00 C ATOM 215 CG GLN A 394 -5.409 -3.683 -8.062 1.00 0.00 C ATOM 216 CD GLN A 394 -5.268 -5.134 -8.525 1.00 0.00 C ATOM 217 OE1 GLN A 394 -4.178 -5.689 -8.605 1.00 0.00 O ATOM 218 NE2 GLN A 394 -6.354 -5.808 -8.852 1.00 0.00 N ATOM 0 H GLN A 394 -7.182 -0.711 -9.108 1.00 0.00 H new ATOM 0 HA GLN A 394 -4.520 -1.188 -7.864 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -5.897 -2.832 -9.990 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -4.178 -2.892 -9.656 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -4.708 -3.491 -7.250 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -6.411 -3.525 -7.662 1.00 0.00 H new ATOM 0 HE21 GLN A 394 -7.269 -5.361 -8.791 1.00 0.00 H new ATOM 0 HE22 GLN A 394 -6.279 -6.776 -9.166 1.00 0.00 H new ATOM 227 N LYS A 395 -5.174 1.040 -9.650 1.00 0.00 N ATOM 228 CA LYS A 395 -4.653 2.230 -10.334 1.00 0.00 C ATOM 229 C LYS A 395 -3.352 2.716 -9.665 1.00 0.00 C ATOM 230 O LYS A 395 -2.953 2.194 -8.622 1.00 0.00 O ATOM 231 CB LYS A 395 -5.685 3.365 -10.218 1.00 0.00 C ATOM 232 CG LYS A 395 -7.115 3.063 -10.692 1.00 0.00 C ATOM 233 CD LYS A 395 -7.931 4.366 -10.775 1.00 0.00 C ATOM 234 CE LYS A 395 -7.915 5.193 -9.473 1.00 0.00 C ATOM 235 NZ LYS A 395 -8.873 4.672 -8.461 1.00 0.00 N ATOM 0 H LYS A 395 -6.002 1.241 -9.089 1.00 0.00 H new ATOM 0 HA LYS A 395 -4.459 1.971 -11.375 1.00 0.00 H new ATOM 0 HB2 LYS A 395 -5.733 3.673 -9.173 1.00 0.00 H new ATOM 0 HB3 LYS A 395 -5.314 4.219 -10.785 1.00 0.00 H new ATOM 0 HG2 LYS A 395 -7.088 2.579 -11.668 1.00 0.00 H new ATOM 0 HG3 LYS A 395 -7.595 2.367 -10.004 1.00 0.00 H new ATOM 0 HD2 LYS A 395 -7.540 4.978 -11.588 1.00 0.00 H new ATOM 0 HD3 LYS A 395 -8.963 4.122 -11.027 1.00 0.00 H new ATOM 0 HE2 LYS A 395 -6.909 5.187 -9.054 1.00 0.00 H new ATOM 0 HE3 LYS A 395 -8.160 6.230 -9.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 -8.603 5.017 -7.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 -9.833 5.002 -8.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 -8.854 3.632 -8.468 1.00 0.00 H new ATOM 249 N GLU A 396 -2.756 3.795 -10.180 1.00 0.00 N ATOM 250 CA GLU A 396 -1.665 4.507 -9.514 1.00 0.00 C ATOM 251 C GLU A 396 -1.534 5.968 -9.977 1.00 0.00 C ATOM 252 O GLU A 396 -2.145 6.379 -10.966 1.00 0.00 O ATOM 253 CB GLU A 396 -0.344 3.726 -9.662 1.00 0.00 C ATOM 254 CG GLU A 396 0.214 3.724 -11.092 1.00 0.00 C ATOM 255 CD GLU A 396 1.377 2.736 -11.243 1.00 0.00 C ATOM 256 OE1 GLU A 396 2.349 2.796 -10.456 1.00 0.00 O ATOM 257 OE2 GLU A 396 1.352 1.896 -12.172 1.00 0.00 O ATOM 0 H GLU A 396 -3.020 4.201 -11.078 1.00 0.00 H new ATOM 0 HA GLU A 396 -1.909 4.561 -8.453 1.00 0.00 H new ATOM 0 HB2 GLU A 396 0.400 4.157 -8.992 1.00 0.00 H new ATOM 0 HB3 GLU A 396 -0.503 2.696 -9.342 1.00 0.00 H new ATOM 0 HG2 GLU A 396 -0.579 3.463 -11.792 1.00 0.00 H new ATOM 0 HG3 GLU A 396 0.552 4.727 -11.353 1.00 0.00 H new ATOM 264 N GLY A 397 -0.747 6.752 -9.232 1.00 0.00 N ATOM 265 CA GLY A 397 -0.500 8.182 -9.445 1.00 0.00 C ATOM 266 C GLY A 397 0.834 8.486 -10.151 1.00 0.00 C ATOM 267 O GLY A 397 1.425 7.586 -10.761 1.00 0.00 O ATOM 0 H GLY A 397 -0.240 6.389 -8.425 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -1.316 8.597 -10.037 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -0.514 8.691 -8.481 1.00 0.00 H new ATOM 271 N PRO A 398 1.308 9.749 -10.097 1.00 0.00 N ATOM 272 CA PRO A 398 2.518 10.200 -10.787 1.00 0.00 C ATOM 273 C PRO A 398 3.806 9.683 -10.125 1.00 0.00 C ATOM 274 O PRO A 398 3.780 9.059 -9.064 1.00 0.00 O ATOM 275 CB PRO A 398 2.432 11.734 -10.773 1.00 0.00 C ATOM 276 CG PRO A 398 1.663 12.031 -9.488 1.00 0.00 C ATOM 277 CD PRO A 398 0.669 10.874 -9.422 1.00 0.00 C ATOM 0 HA PRO A 398 2.568 9.805 -11.802 1.00 0.00 H new ATOM 0 HB2 PRO A 398 3.421 12.192 -10.765 1.00 0.00 H new ATOM 0 HB3 PRO A 398 1.911 12.116 -11.651 1.00 0.00 H new ATOM 0 HG2 PRO A 398 2.319 12.052 -8.618 1.00 0.00 H new ATOM 0 HG3 PRO A 398 1.159 12.997 -9.531 1.00 0.00 H new ATOM 0 HD2 PRO A 398 0.431 10.624 -8.388 1.00 0.00 H new ATOM 0 HD3 PRO A 398 -0.269 11.139 -9.910 1.00 0.00 H new ATOM 285 N GLU A 399 4.951 9.958 -10.759 1.00 0.00 N ATOM 286 CA GLU A 399 6.279 9.586 -10.260 1.00 0.00 C ATOM 287 C GLU A 399 6.535 10.174 -8.857 1.00 0.00 C ATOM 288 O GLU A 399 6.400 11.381 -8.635 1.00 0.00 O ATOM 289 CB GLU A 399 7.350 10.037 -11.269 1.00 0.00 C ATOM 290 CG GLU A 399 8.752 9.536 -10.902 1.00 0.00 C ATOM 291 CD GLU A 399 9.775 9.932 -11.978 1.00 0.00 C ATOM 292 OE1 GLU A 399 10.369 11.034 -11.880 1.00 0.00 O ATOM 293 OE2 GLU A 399 10.000 9.143 -12.927 1.00 0.00 O ATOM 0 H GLU A 399 4.981 10.454 -11.650 1.00 0.00 H new ATOM 0 HA GLU A 399 6.330 8.502 -10.159 1.00 0.00 H new ATOM 0 HB2 GLU A 399 7.086 9.672 -12.262 1.00 0.00 H new ATOM 0 HB3 GLU A 399 7.359 11.126 -11.322 1.00 0.00 H new ATOM 0 HG2 GLU A 399 9.051 9.952 -9.940 1.00 0.00 H new ATOM 0 HG3 GLU A 399 8.737 8.452 -10.790 1.00 0.00 H new ATOM 300 N GLY A 400 6.893 9.302 -7.905 1.00 0.00 N ATOM 301 CA GLY A 400 7.124 9.646 -6.493 1.00 0.00 C ATOM 302 C GLY A 400 5.901 9.455 -5.589 1.00 0.00 C ATOM 303 O GLY A 400 6.041 9.527 -4.370 1.00 0.00 O ATOM 0 H GLY A 400 7.034 8.311 -8.100 1.00 0.00 H new ATOM 0 HA2 GLY A 400 7.942 9.035 -6.112 1.00 0.00 H new ATOM 0 HA3 GLY A 400 7.447 10.685 -6.433 1.00 0.00 H new ATOM 307 N ALA A 401 4.711 9.226 -6.157 1.00 0.00 N ATOM 308 CA ALA A 401 3.444 9.170 -5.418 1.00 0.00 C ATOM 309 C ALA A 401 2.958 7.745 -5.084 1.00 0.00 C ATOM 310 O ALA A 401 1.909 7.592 -4.454 1.00 0.00 O ATOM 311 CB ALA A 401 2.399 9.962 -6.212 1.00 0.00 C ATOM 0 H ALA A 401 4.600 9.072 -7.159 1.00 0.00 H new ATOM 0 HA ALA A 401 3.607 9.619 -4.438 1.00 0.00 H new ATOM 0 HB1 ALA A 401 1.445 9.937 -5.684 1.00 0.00 H new ATOM 0 HB2 ALA A 401 2.729 10.996 -6.317 1.00 0.00 H new ATOM 0 HB3 ALA A 401 2.279 9.517 -7.200 1.00 0.00 H new ATOM 317 N ASN A 402 3.703 6.712 -5.493 1.00 0.00 N ATOM 318 CA ASN A 402 3.272 5.310 -5.450 1.00 0.00 C ATOM 319 C ASN A 402 4.123 4.511 -4.446 1.00 0.00 C ATOM 320 O ASN A 402 5.353 4.489 -4.536 1.00 0.00 O ATOM 321 CB ASN A 402 3.329 4.732 -6.875 1.00 0.00 C ATOM 322 CG ASN A 402 2.610 5.625 -7.891 1.00 0.00 C ATOM 323 OD1 ASN A 402 1.582 6.234 -7.616 1.00 0.00 O ATOM 324 ND2 ASN A 402 3.155 5.779 -9.081 1.00 0.00 N ATOM 0 H ASN A 402 4.643 6.830 -5.871 1.00 0.00 H new ATOM 0 HA ASN A 402 2.243 5.239 -5.097 1.00 0.00 H new ATOM 0 HB2 ASN A 402 4.370 4.610 -7.174 1.00 0.00 H new ATOM 0 HB3 ASN A 402 2.877 3.740 -6.881 1.00 0.00 H new ATOM 0 HD21 ASN A 402 2.722 6.401 -9.764 1.00 0.00 H new ATOM 0 HD22 ASN A 402 4.010 5.277 -9.319 1.00 0.00 H new ATOM 331 N LEU A 403 3.456 3.877 -3.477 1.00 0.00 N ATOM 332 CA LEU A 403 4.028 3.254 -2.279 1.00 0.00 C ATOM 333 C LEU A 403 3.684 1.767 -2.160 1.00 0.00 C ATOM 334 O LEU A 403 2.544 1.361 -2.405 1.00 0.00 O ATOM 335 CB LEU A 403 3.469 3.936 -1.008 1.00 0.00 C ATOM 336 CG LEU A 403 3.463 5.473 -0.939 1.00 0.00 C ATOM 337 CD1 LEU A 403 3.007 5.909 0.459 1.00 0.00 C ATOM 338 CD2 LEU A 403 4.845 6.051 -1.239 1.00 0.00 C ATOM 0 H LEU A 403 2.441 3.779 -3.510 1.00 0.00 H new ATOM 0 HA LEU A 403 5.108 3.371 -2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 403 2.443 3.595 -0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 403 4.041 3.569 -0.156 1.00 0.00 H new ATOM 0 HG LEU A 403 2.774 5.852 -1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 403 3.000 6.997 0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 403 2.003 5.529 0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 403 3.693 5.511 1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 403 4.805 7.139 -1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 403 5.563 5.676 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 403 5.155 5.752 -2.240 1.00 0.00 H new ATOM 350 N PHE A 404 4.647 0.988 -1.670 1.00 0.00 N ATOM 351 CA PHE A 404 4.486 -0.397 -1.233 1.00 0.00 C ATOM 352 C PHE A 404 4.662 -0.453 0.288 1.00 0.00 C ATOM 353 O PHE A 404 5.555 0.183 0.854 1.00 0.00 O ATOM 354 CB PHE A 404 5.483 -1.309 -1.958 1.00 0.00 C ATOM 355 CG PHE A 404 5.067 -1.647 -3.376 1.00 0.00 C ATOM 356 CD1 PHE A 404 5.253 -0.712 -4.410 1.00 0.00 C ATOM 357 CD2 PHE A 404 4.457 -2.886 -3.656 1.00 0.00 C ATOM 358 CE1 PHE A 404 4.837 -1.017 -5.718 1.00 0.00 C ATOM 359 CE2 PHE A 404 4.048 -3.193 -4.966 1.00 0.00 C ATOM 360 CZ PHE A 404 4.240 -2.258 -5.999 1.00 0.00 C ATOM 0 H PHE A 404 5.605 1.321 -1.562 1.00 0.00 H new ATOM 0 HA PHE A 404 3.489 -0.758 -1.485 1.00 0.00 H new ATOM 0 HB2 PHE A 404 6.459 -0.824 -1.979 1.00 0.00 H new ATOM 0 HB3 PHE A 404 5.598 -2.233 -1.391 1.00 0.00 H new ATOM 0 HD1 PHE A 404 5.716 0.241 -4.199 1.00 0.00 H new ATOM 0 HD2 PHE A 404 4.303 -3.602 -2.862 1.00 0.00 H new ATOM 0 HE1 PHE A 404 4.977 -0.295 -6.509 1.00 0.00 H new ATOM 0 HE2 PHE A 404 3.587 -4.146 -5.179 1.00 0.00 H new ATOM 0 HZ PHE A 404 3.929 -2.493 -7.006 1.00 0.00 H new ATOM 370 N ILE A 405 3.769 -1.186 0.949 1.00 0.00 N ATOM 371 CA ILE A 405 3.594 -1.226 2.409 1.00 0.00 C ATOM 372 C ILE A 405 3.837 -2.661 2.885 1.00 0.00 C ATOM 373 O ILE A 405 3.362 -3.596 2.245 1.00 0.00 O ATOM 374 CB ILE A 405 2.156 -0.780 2.789 1.00 0.00 C ATOM 375 CG1 ILE A 405 1.568 0.413 1.993 1.00 0.00 C ATOM 376 CG2 ILE A 405 2.079 -0.509 4.302 1.00 0.00 C ATOM 377 CD1 ILE A 405 2.384 1.705 1.959 1.00 0.00 C ATOM 0 H ILE A 405 3.114 -1.799 0.463 1.00 0.00 H new ATOM 0 HA ILE A 405 4.301 -0.547 2.885 1.00 0.00 H new ATOM 0 HB ILE A 405 1.523 -1.620 2.502 1.00 0.00 H new ATOM 0 HG12 ILE A 405 1.410 0.087 0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 405 0.587 0.645 2.408 1.00 0.00 H new ATOM 0 HG21 ILE A 405 1.068 -0.196 4.565 1.00 0.00 H new ATOM 0 HG22 ILE A 405 2.331 -1.418 4.848 1.00 0.00 H new ATOM 0 HG23 ILE A 405 2.783 0.280 4.567 1.00 0.00 H new ATOM 0 HD11 ILE A 405 1.856 2.454 1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 405 2.522 2.075 2.975 1.00 0.00 H new ATOM 0 HD13 ILE A 405 3.357 1.509 1.509 1.00 0.00 H new ATOM 389 N TYR A 406 4.540 -2.854 4.001 1.00 0.00 N ATOM 390 CA TYR A 406 4.951 -4.183 4.486 1.00 0.00 C ATOM 391 C TYR A 406 4.802 -4.336 6.013 1.00 0.00 C ATOM 392 O TYR A 406 4.704 -3.354 6.752 1.00 0.00 O ATOM 393 CB TYR A 406 6.405 -4.485 4.076 1.00 0.00 C ATOM 394 CG TYR A 406 6.857 -4.029 2.699 1.00 0.00 C ATOM 395 CD1 TYR A 406 7.283 -2.699 2.516 1.00 0.00 C ATOM 396 CD2 TYR A 406 6.917 -4.933 1.620 1.00 0.00 C ATOM 397 CE1 TYR A 406 7.766 -2.267 1.271 1.00 0.00 C ATOM 398 CE2 TYR A 406 7.417 -4.512 0.371 1.00 0.00 C ATOM 399 CZ TYR A 406 7.852 -3.178 0.197 1.00 0.00 C ATOM 400 OH TYR A 406 8.373 -2.763 -0.992 1.00 0.00 O ATOM 0 H TYR A 406 4.846 -2.089 4.603 1.00 0.00 H new ATOM 0 HA TYR A 406 4.278 -4.902 4.018 1.00 0.00 H new ATOM 0 HB2 TYR A 406 7.064 -4.028 4.814 1.00 0.00 H new ATOM 0 HB3 TYR A 406 6.555 -5.563 4.139 1.00 0.00 H new ATOM 0 HD1 TYR A 406 7.238 -2.005 3.342 1.00 0.00 H new ATOM 0 HD2 TYR A 406 6.579 -5.951 1.750 1.00 0.00 H new ATOM 0 HE1 TYR A 406 8.071 -1.240 1.135 1.00 0.00 H new ATOM 0 HE2 TYR A 406 7.468 -5.208 -0.453 1.00 0.00 H new ATOM 0 HH TYR A 406 8.365 -3.507 -1.630 1.00 0.00 H new ATOM 410 N HIS A 407 4.797 -5.590 6.476 1.00 0.00 N ATOM 411 CA HIS A 407 4.602 -6.027 7.868 1.00 0.00 C ATOM 412 C HIS A 407 3.197 -5.701 8.437 1.00 0.00 C ATOM 413 O HIS A 407 3.026 -5.567 9.649 1.00 0.00 O ATOM 414 CB HIS A 407 5.768 -5.557 8.756 1.00 0.00 C ATOM 415 CG HIS A 407 7.106 -6.071 8.308 1.00 0.00 C ATOM 416 ND1 HIS A 407 7.499 -7.412 8.306 1.00 0.00 N ATOM 417 CD2 HIS A 407 8.134 -5.304 7.851 1.00 0.00 C ATOM 418 CE1 HIS A 407 8.763 -7.414 7.847 1.00 0.00 C ATOM 419 NE2 HIS A 407 9.172 -6.163 7.569 1.00 0.00 N ATOM 0 H HIS A 407 4.938 -6.382 5.849 1.00 0.00 H new ATOM 0 HA HIS A 407 4.624 -7.117 7.870 1.00 0.00 H new ATOM 0 HB2 HIS A 407 5.791 -4.467 8.766 1.00 0.00 H new ATOM 0 HB3 HIS A 407 5.588 -5.881 9.781 1.00 0.00 H new ATOM 0 HD2 HIS A 407 8.135 -4.230 7.733 1.00 0.00 H new ATOM 0 HE1 HIS A 407 9.368 -8.300 7.719 1.00 0.00 H new ATOM 0 HE2 HIS A 407 10.090 -5.898 7.212 1.00 0.00 H new ATOM 427 N LEU A 408 2.182 -5.591 7.569 1.00 0.00 N ATOM 428 CA LEU A 408 0.783 -5.303 7.935 1.00 0.00 C ATOM 429 C LEU A 408 0.158 -6.449 8.762 1.00 0.00 C ATOM 430 O LEU A 408 0.652 -7.581 8.706 1.00 0.00 O ATOM 431 CB LEU A 408 -0.037 -5.036 6.652 1.00 0.00 C ATOM 432 CG LEU A 408 0.268 -3.697 5.946 1.00 0.00 C ATOM 433 CD1 LEU A 408 -0.354 -3.709 4.543 1.00 0.00 C ATOM 434 CD2 LEU A 408 -0.296 -2.504 6.735 1.00 0.00 C ATOM 0 H LEU A 408 2.312 -5.703 6.564 1.00 0.00 H new ATOM 0 HA LEU A 408 0.767 -4.415 8.566 1.00 0.00 H new ATOM 0 HB2 LEU A 408 0.143 -5.849 5.949 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -1.097 -5.062 6.905 1.00 0.00 H new ATOM 0 HG LEU A 408 1.351 -3.586 5.883 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -0.140 -2.765 4.042 1.00 0.00 H new ATOM 0 HD12 LEU A 408 0.069 -4.530 3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 408 -1.433 -3.840 4.624 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -0.063 -1.578 6.210 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -1.377 -2.607 6.827 1.00 0.00 H new ATOM 0 HD23 LEU A 408 0.152 -2.480 7.728 1.00 0.00 H new ATOM 446 N PRO A 409 -0.927 -6.199 9.521 1.00 0.00 N ATOM 447 CA PRO A 409 -1.713 -7.253 10.161 1.00 0.00 C ATOM 448 C PRO A 409 -2.278 -8.251 9.136 1.00 0.00 C ATOM 449 O PRO A 409 -2.592 -7.884 8.004 1.00 0.00 O ATOM 450 CB PRO A 409 -2.822 -6.534 10.942 1.00 0.00 C ATOM 451 CG PRO A 409 -2.265 -5.127 11.151 1.00 0.00 C ATOM 452 CD PRO A 409 -1.444 -4.887 9.890 1.00 0.00 C ATOM 0 HA PRO A 409 -1.096 -7.857 10.826 1.00 0.00 H new ATOM 0 HB2 PRO A 409 -3.758 -6.515 10.383 1.00 0.00 H new ATOM 0 HB3 PRO A 409 -3.028 -7.028 11.891 1.00 0.00 H new ATOM 0 HG2 PRO A 409 -3.061 -4.391 11.259 1.00 0.00 H new ATOM 0 HG3 PRO A 409 -1.651 -5.066 12.049 1.00 0.00 H new ATOM 0 HD2 PRO A 409 -2.058 -4.466 9.094 1.00 0.00 H new ATOM 0 HD3 PRO A 409 -0.634 -4.181 10.075 1.00 0.00 H new ATOM 460 N GLN A 410 -2.444 -9.512 9.543 1.00 0.00 N ATOM 461 CA GLN A 410 -2.972 -10.604 8.704 1.00 0.00 C ATOM 462 C GLN A 410 -4.481 -10.492 8.409 1.00 0.00 C ATOM 463 O GLN A 410 -5.030 -11.252 7.612 1.00 0.00 O ATOM 464 CB GLN A 410 -2.623 -11.955 9.351 1.00 0.00 C ATOM 465 CG GLN A 410 -3.565 -12.450 10.469 1.00 0.00 C ATOM 466 CD GLN A 410 -3.738 -11.506 11.665 1.00 0.00 C ATOM 467 OE1 GLN A 410 -2.859 -10.736 12.036 1.00 0.00 O ATOM 468 NE2 GLN A 410 -4.897 -11.508 12.288 1.00 0.00 N ATOM 0 H GLN A 410 -2.211 -9.815 10.489 1.00 0.00 H new ATOM 0 HA GLN A 410 -2.491 -10.524 7.729 1.00 0.00 H new ATOM 0 HB2 GLN A 410 -2.598 -12.712 8.567 1.00 0.00 H new ATOM 0 HB3 GLN A 410 -1.615 -11.886 9.760 1.00 0.00 H new ATOM 0 HG2 GLN A 410 -4.547 -12.638 10.034 1.00 0.00 H new ATOM 0 HG3 GLN A 410 -3.191 -13.406 10.836 1.00 0.00 H new ATOM 0 HE21 GLN A 410 -5.636 -12.144 11.988 1.00 0.00 H new ATOM 0 HE22 GLN A 410 -5.056 -10.873 13.070 1.00 0.00 H new ATOM 477 N GLU A 411 -5.142 -9.547 9.075 1.00 0.00 N ATOM 478 CA GLU A 411 -6.584 -9.272 9.032 1.00 0.00 C ATOM 479 C GLU A 411 -6.941 -7.912 8.400 1.00 0.00 C ATOM 480 O GLU A 411 -8.118 -7.597 8.209 1.00 0.00 O ATOM 481 CB GLU A 411 -7.133 -9.363 10.461 1.00 0.00 C ATOM 482 CG GLU A 411 -6.547 -8.333 11.443 1.00 0.00 C ATOM 483 CD GLU A 411 -6.968 -8.646 12.886 1.00 0.00 C ATOM 484 OE1 GLU A 411 -8.066 -8.213 13.308 1.00 0.00 O ATOM 485 OE2 GLU A 411 -6.197 -9.327 13.604 1.00 0.00 O ATOM 0 H GLU A 411 -4.655 -8.908 9.703 1.00 0.00 H new ATOM 0 HA GLU A 411 -7.045 -10.018 8.385 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -8.215 -9.238 10.428 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -6.939 -10.364 10.847 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -5.459 -8.333 11.370 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -6.885 -7.333 11.171 1.00 0.00 H new ATOM 492 N PHE A 412 -5.926 -7.102 8.086 1.00 0.00 N ATOM 493 CA PHE A 412 -6.063 -5.766 7.494 1.00 0.00 C ATOM 494 C PHE A 412 -6.551 -5.859 6.040 1.00 0.00 C ATOM 495 O PHE A 412 -5.935 -6.553 5.230 1.00 0.00 O ATOM 496 CB PHE A 412 -4.714 -5.020 7.588 1.00 0.00 C ATOM 497 CG PHE A 412 -4.797 -3.648 8.228 1.00 0.00 C ATOM 498 CD1 PHE A 412 -5.238 -3.529 9.561 1.00 0.00 C ATOM 499 CD2 PHE A 412 -4.412 -2.495 7.515 1.00 0.00 C ATOM 500 CE1 PHE A 412 -5.312 -2.265 10.171 1.00 0.00 C ATOM 501 CE2 PHE A 412 -4.482 -1.233 8.128 1.00 0.00 C ATOM 502 CZ PHE A 412 -4.941 -1.117 9.452 1.00 0.00 C ATOM 0 H PHE A 412 -4.953 -7.366 8.242 1.00 0.00 H new ATOM 0 HA PHE A 412 -6.812 -5.203 8.050 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -4.014 -5.631 8.158 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -4.301 -4.915 6.585 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -5.520 -4.412 10.116 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -4.063 -2.582 6.497 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -5.654 -2.177 11.192 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -4.183 -0.351 7.582 1.00 0.00 H new ATOM 0 HZ PHE A 412 -5.008 -0.144 9.916 1.00 0.00 H new ATOM 512 N GLY A 413 -7.644 -5.169 5.700 1.00 0.00 N ATOM 513 CA GLY A 413 -8.211 -5.126 4.347 1.00 0.00 C ATOM 514 C GLY A 413 -7.917 -3.828 3.598 1.00 0.00 C ATOM 515 O GLY A 413 -7.256 -2.923 4.103 1.00 0.00 O ATOM 0 H GLY A 413 -8.172 -4.612 6.372 1.00 0.00 H new ATOM 0 HA2 GLY A 413 -7.818 -5.964 3.771 1.00 0.00 H new ATOM 0 HA3 GLY A 413 -9.291 -5.262 4.411 1.00 0.00 H new ATOM 519 N ASP A 414 -8.454 -3.728 2.381 1.00 0.00 N ATOM 520 CA ASP A 414 -8.236 -2.587 1.480 1.00 0.00 C ATOM 521 C ASP A 414 -8.767 -1.265 2.059 1.00 0.00 C ATOM 522 O ASP A 414 -8.152 -0.214 1.883 1.00 0.00 O ATOM 523 CB ASP A 414 -8.918 -2.855 0.128 1.00 0.00 C ATOM 524 CG ASP A 414 -8.440 -4.119 -0.596 1.00 0.00 C ATOM 525 OD1 ASP A 414 -7.248 -4.477 -0.471 1.00 0.00 O ATOM 526 OD2 ASP A 414 -9.247 -4.730 -1.332 1.00 0.00 O ATOM 0 H ASP A 414 -9.061 -4.445 1.985 1.00 0.00 H new ATOM 0 HA ASP A 414 -7.158 -2.483 1.353 1.00 0.00 H new ATOM 0 HB2 ASP A 414 -9.993 -2.930 0.289 1.00 0.00 H new ATOM 0 HB3 ASP A 414 -8.752 -1.996 -0.523 1.00 0.00 H new ATOM 531 N GLN A 415 -9.894 -1.324 2.779 1.00 0.00 N ATOM 532 CA GLN A 415 -10.504 -0.169 3.441 1.00 0.00 C ATOM 533 C GLN A 415 -9.753 0.221 4.722 1.00 0.00 C ATOM 534 O GLN A 415 -9.676 1.405 5.043 1.00 0.00 O ATOM 535 CB GLN A 415 -11.982 -0.459 3.758 1.00 0.00 C ATOM 536 CG GLN A 415 -12.847 -0.601 2.492 1.00 0.00 C ATOM 537 CD GLN A 415 -14.329 -0.836 2.807 1.00 0.00 C ATOM 538 OE1 GLN A 415 -14.704 -1.587 3.700 1.00 0.00 O ATOM 539 NE2 GLN A 415 -15.238 -0.205 2.089 1.00 0.00 N ATOM 0 H GLN A 415 -10.414 -2.190 2.919 1.00 0.00 H new ATOM 0 HA GLN A 415 -10.440 0.675 2.754 1.00 0.00 H new ATOM 0 HB2 GLN A 415 -12.050 -1.376 4.344 1.00 0.00 H new ATOM 0 HB3 GLN A 415 -12.381 0.345 4.377 1.00 0.00 H new ATOM 0 HG2 GLN A 415 -12.748 0.300 1.887 1.00 0.00 H new ATOM 0 HG3 GLN A 415 -12.472 -1.431 1.893 1.00 0.00 H new ATOM 0 HE21 GLN A 415 -14.950 0.425 1.341 1.00 0.00 H new ATOM 0 HE22 GLN A 415 -16.229 -0.347 2.282 1.00 0.00 H new ATOM 548 N ASP A 416 -9.148 -0.743 5.426 1.00 0.00 N ATOM 549 CA ASP A 416 -8.321 -0.471 6.607 1.00 0.00 C ATOM 550 C ASP A 416 -7.010 0.218 6.206 1.00 0.00 C ATOM 551 O ASP A 416 -6.599 1.186 6.848 1.00 0.00 O ATOM 552 CB ASP A 416 -8.029 -1.766 7.377 1.00 0.00 C ATOM 553 CG ASP A 416 -9.297 -2.497 7.834 1.00 0.00 C ATOM 554 OD1 ASP A 416 -9.995 -1.988 8.743 1.00 0.00 O ATOM 555 OD2 ASP A 416 -9.571 -3.594 7.294 1.00 0.00 O ATOM 0 H ASP A 416 -9.218 -1.733 5.193 1.00 0.00 H new ATOM 0 HA ASP A 416 -8.878 0.201 7.260 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -7.441 -2.432 6.745 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -7.418 -1.533 8.249 1.00 0.00 H new ATOM 560 N LEU A 417 -6.393 -0.220 5.098 1.00 0.00 N ATOM 561 CA LEU A 417 -5.213 0.426 4.529 1.00 0.00 C ATOM 562 C LEU A 417 -5.540 1.821 3.978 1.00 0.00 C ATOM 563 O LEU A 417 -4.748 2.742 4.162 1.00 0.00 O ATOM 564 CB LEU A 417 -4.595 -0.493 3.460 1.00 0.00 C ATOM 565 CG LEU A 417 -3.177 -0.060 3.029 1.00 0.00 C ATOM 566 CD1 LEU A 417 -2.163 -0.240 4.169 1.00 0.00 C ATOM 567 CD2 LEU A 417 -2.727 -0.882 1.817 1.00 0.00 C ATOM 0 H LEU A 417 -6.705 -1.037 4.573 1.00 0.00 H new ATOM 0 HA LEU A 417 -4.477 0.581 5.318 1.00 0.00 H new ATOM 0 HB2 LEU A 417 -4.555 -1.512 3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 417 -5.244 -0.509 2.585 1.00 0.00 H new ATOM 0 HG LEU A 417 -3.217 0.998 2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 417 -1.176 0.074 3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 417 -2.464 0.367 5.023 1.00 0.00 H new ATOM 0 HD13 LEU A 417 -2.129 -1.289 4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 417 -1.726 -0.571 1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 417 -2.716 -1.940 2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 417 -3.419 -0.720 0.990 1.00 0.00 H new ATOM 579 N LEU A 418 -6.719 2.017 3.375 1.00 0.00 N ATOM 580 CA LEU A 418 -7.179 3.344 2.956 1.00 0.00 C ATOM 581 C LEU A 418 -7.351 4.275 4.164 1.00 0.00 C ATOM 582 O LEU A 418 -6.808 5.376 4.166 1.00 0.00 O ATOM 583 CB LEU A 418 -8.476 3.205 2.137 1.00 0.00 C ATOM 584 CG LEU A 418 -9.045 4.548 1.637 1.00 0.00 C ATOM 585 CD1 LEU A 418 -8.091 5.248 0.661 1.00 0.00 C ATOM 586 CD2 LEU A 418 -10.409 4.330 0.975 1.00 0.00 C ATOM 0 H LEU A 418 -7.376 1.265 3.166 1.00 0.00 H new ATOM 0 HA LEU A 418 -6.424 3.803 2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -8.285 2.560 1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -9.229 2.708 2.748 1.00 0.00 H new ATOM 0 HG LEU A 418 -9.162 5.197 2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -8.532 6.190 0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -7.141 5.445 1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -7.921 4.607 -0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -10.801 5.285 0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -10.298 3.652 0.129 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -11.100 3.897 1.699 1.00 0.00 H new ATOM 598 N GLN A 419 -8.058 3.836 5.208 1.00 0.00 N ATOM 599 CA GLN A 419 -8.271 4.623 6.429 1.00 0.00 C ATOM 600 C GLN A 419 -6.960 4.925 7.180 1.00 0.00 C ATOM 601 O GLN A 419 -6.851 5.970 7.825 1.00 0.00 O ATOM 602 CB GLN A 419 -9.272 3.892 7.337 1.00 0.00 C ATOM 603 CG GLN A 419 -10.726 3.983 6.835 1.00 0.00 C ATOM 604 CD GLN A 419 -11.386 5.356 7.013 1.00 0.00 C ATOM 605 OE1 GLN A 419 -10.810 6.319 7.504 1.00 0.00 O ATOM 606 NE2 GLN A 419 -12.632 5.504 6.612 1.00 0.00 N ATOM 0 H GLN A 419 -8.503 2.918 5.232 1.00 0.00 H new ATOM 0 HA GLN A 419 -8.679 5.590 6.136 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -8.985 2.843 7.412 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -9.214 4.311 8.342 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -10.747 3.720 5.777 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -11.324 3.238 7.360 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -13.132 4.716 6.200 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -13.097 6.406 6.713 1.00 0.00 H new ATOM 615 N MET A 420 -5.944 4.064 7.057 1.00 0.00 N ATOM 616 CA MET A 420 -4.602 4.278 7.611 1.00 0.00 C ATOM 617 C MET A 420 -3.787 5.336 6.840 1.00 0.00 C ATOM 618 O MET A 420 -2.956 6.006 7.454 1.00 0.00 O ATOM 619 CB MET A 420 -3.889 2.914 7.674 1.00 0.00 C ATOM 620 CG MET A 420 -2.438 2.985 8.163 1.00 0.00 C ATOM 621 SD MET A 420 -1.596 1.382 8.221 1.00 0.00 S ATOM 622 CE MET A 420 -2.060 0.858 9.886 1.00 0.00 C ATOM 0 H MET A 420 -6.034 3.179 6.558 1.00 0.00 H new ATOM 0 HA MET A 420 -4.694 4.692 8.615 1.00 0.00 H new ATOM 0 HB2 MET A 420 -4.451 2.253 8.334 1.00 0.00 H new ATOM 0 HB3 MET A 420 -3.905 2.462 6.682 1.00 0.00 H new ATOM 0 HG2 MET A 420 -1.878 3.654 7.509 1.00 0.00 H new ATOM 0 HG3 MET A 420 -2.423 3.427 9.159 1.00 0.00 H new ATOM 0 HE1 MET A 420 -1.893 -0.214 9.990 1.00 0.00 H new ATOM 0 HE2 MET A 420 -1.454 1.392 10.618 1.00 0.00 H new ATOM 0 HE3 MET A 420 -3.113 1.080 10.057 1.00 0.00 H new ATOM 632 N PHE A 421 -4.027 5.521 5.534 1.00 0.00 N ATOM 633 CA PHE A 421 -3.211 6.374 4.654 1.00 0.00 C ATOM 634 C PHE A 421 -3.907 7.667 4.171 1.00 0.00 C ATOM 635 O PHE A 421 -3.221 8.626 3.813 1.00 0.00 O ATOM 636 CB PHE A 421 -2.646 5.518 3.502 1.00 0.00 C ATOM 637 CG PHE A 421 -1.406 4.713 3.879 1.00 0.00 C ATOM 638 CD1 PHE A 421 -1.507 3.554 4.672 1.00 0.00 C ATOM 639 CD2 PHE A 421 -0.130 5.139 3.457 1.00 0.00 C ATOM 640 CE1 PHE A 421 -0.353 2.852 5.064 1.00 0.00 C ATOM 641 CE2 PHE A 421 1.027 4.444 3.855 1.00 0.00 C ATOM 642 CZ PHE A 421 0.916 3.306 4.671 1.00 0.00 C ATOM 0 H PHE A 421 -4.806 5.075 5.050 1.00 0.00 H new ATOM 0 HA PHE A 421 -2.385 6.760 5.252 1.00 0.00 H new ATOM 0 HB2 PHE A 421 -3.421 4.833 3.158 1.00 0.00 H new ATOM 0 HB3 PHE A 421 -2.402 6.171 2.664 1.00 0.00 H new ATOM 0 HD1 PHE A 421 -2.479 3.201 4.982 1.00 0.00 H new ATOM 0 HD2 PHE A 421 -0.040 6.008 2.822 1.00 0.00 H new ATOM 0 HE1 PHE A 421 -0.443 1.962 5.669 1.00 0.00 H new ATOM 0 HE2 PHE A 421 2.000 4.785 3.533 1.00 0.00 H new ATOM 0 HZ PHE A 421 1.803 2.782 4.995 1.00 0.00 H new ATOM 652 N MET A 422 -5.237 7.783 4.251 1.00 0.00 N ATOM 653 CA MET A 422 -5.959 9.039 3.995 1.00 0.00 C ATOM 654 C MET A 422 -5.514 10.262 4.835 1.00 0.00 C ATOM 655 O MET A 422 -5.559 11.367 4.286 1.00 0.00 O ATOM 656 CB MET A 422 -7.465 8.802 4.165 1.00 0.00 C ATOM 657 CG MET A 422 -8.082 8.186 2.904 1.00 0.00 C ATOM 658 SD MET A 422 -9.893 8.242 2.805 1.00 0.00 S ATOM 659 CE MET A 422 -10.344 7.324 4.298 1.00 0.00 C ATOM 0 H MET A 422 -5.849 7.005 4.497 1.00 0.00 H new ATOM 0 HA MET A 422 -5.707 9.310 2.970 1.00 0.00 H new ATOM 0 HB2 MET A 422 -7.637 8.142 5.015 1.00 0.00 H new ATOM 0 HB3 MET A 422 -7.960 9.747 4.390 1.00 0.00 H new ATOM 0 HG2 MET A 422 -7.673 8.699 2.034 1.00 0.00 H new ATOM 0 HG3 MET A 422 -7.765 7.145 2.838 1.00 0.00 H new ATOM 0 HE1 MET A 422 -11.414 7.117 4.289 1.00 0.00 H new ATOM 0 HE2 MET A 422 -9.793 6.384 4.327 1.00 0.00 H new ATOM 0 HE3 MET A 422 -10.097 7.917 5.178 1.00 0.00 H new ATOM 669 N PRO A 423 -5.056 10.126 6.102 1.00 0.00 N ATOM 670 CA PRO A 423 -4.566 11.244 6.913 1.00 0.00 C ATOM 671 C PRO A 423 -3.390 12.049 6.329 1.00 0.00 C ATOM 672 O PRO A 423 -3.142 13.158 6.802 1.00 0.00 O ATOM 673 CB PRO A 423 -4.179 10.632 8.263 1.00 0.00 C ATOM 674 CG PRO A 423 -5.141 9.455 8.391 1.00 0.00 C ATOM 675 CD PRO A 423 -5.228 8.955 6.953 1.00 0.00 C ATOM 0 HA PRO A 423 -5.360 11.989 6.973 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -3.139 10.307 8.276 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -4.301 11.344 9.079 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.760 8.689 9.066 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -6.113 9.763 8.775 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -4.456 8.212 6.752 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -6.189 8.476 6.765 1.00 0.00 H new ATOM 683 N PHE A 424 -2.680 11.533 5.313 1.00 0.00 N ATOM 684 CA PHE A 424 -1.505 12.187 4.712 1.00 0.00 C ATOM 685 C PHE A 424 -1.802 12.893 3.376 1.00 0.00 C ATOM 686 O PHE A 424 -0.955 13.634 2.871 1.00 0.00 O ATOM 687 CB PHE A 424 -0.381 11.153 4.568 1.00 0.00 C ATOM 688 CG PHE A 424 -0.167 10.326 5.820 1.00 0.00 C ATOM 689 CD1 PHE A 424 0.297 10.933 7.002 1.00 0.00 C ATOM 690 CD2 PHE A 424 -0.523 8.966 5.828 1.00 0.00 C ATOM 691 CE1 PHE A 424 0.393 10.184 8.188 1.00 0.00 C ATOM 692 CE2 PHE A 424 -0.411 8.213 7.007 1.00 0.00 C ATOM 693 CZ PHE A 424 0.035 8.825 8.191 1.00 0.00 C ATOM 0 H PHE A 424 -2.908 10.638 4.880 1.00 0.00 H new ATOM 0 HA PHE A 424 -1.192 12.987 5.383 1.00 0.00 H new ATOM 0 HB2 PHE A 424 -0.612 10.488 3.736 1.00 0.00 H new ATOM 0 HB3 PHE A 424 0.547 11.667 4.317 1.00 0.00 H new ATOM 0 HD1 PHE A 424 0.580 11.975 6.998 1.00 0.00 H new ATOM 0 HD2 PHE A 424 -0.884 8.499 4.924 1.00 0.00 H new ATOM 0 HE1 PHE A 424 0.742 10.653 9.096 1.00 0.00 H new ATOM 0 HE2 PHE A 424 -0.667 7.164 7.004 1.00 0.00 H new ATOM 0 HZ PHE A 424 0.103 8.251 9.103 1.00 0.00 H new ATOM 703 N GLY A 425 -3.011 12.708 2.829 1.00 0.00 N ATOM 704 CA GLY A 425 -3.526 13.437 1.662 1.00 0.00 C ATOM 705 C GLY A 425 -4.421 12.613 0.738 1.00 0.00 C ATOM 706 O GLY A 425 -4.985 11.591 1.128 1.00 0.00 O ATOM 0 H GLY A 425 -3.676 12.028 3.196 1.00 0.00 H new ATOM 0 HA2 GLY A 425 -4.087 14.304 2.011 1.00 0.00 H new ATOM 0 HA3 GLY A 425 -2.682 13.815 1.085 1.00 0.00 H new ATOM 710 N ASN A 426 -4.579 13.086 -0.501 1.00 0.00 N ATOM 711 CA ASN A 426 -5.508 12.526 -1.485 1.00 0.00 C ATOM 712 C ASN A 426 -5.023 11.167 -2.036 1.00 0.00 C ATOM 713 O ASN A 426 -4.224 11.117 -2.973 1.00 0.00 O ATOM 714 CB ASN A 426 -5.740 13.569 -2.594 1.00 0.00 C ATOM 715 CG ASN A 426 -6.786 13.146 -3.626 1.00 0.00 C ATOM 716 OD1 ASN A 426 -7.511 12.171 -3.463 1.00 0.00 O ATOM 717 ND2 ASN A 426 -6.904 13.880 -4.717 1.00 0.00 N ATOM 0 H ASN A 426 -4.054 13.885 -0.855 1.00 0.00 H new ATOM 0 HA ASN A 426 -6.461 12.311 -1.001 1.00 0.00 H new ATOM 0 HB2 ASN A 426 -6.052 14.508 -2.138 1.00 0.00 H new ATOM 0 HB3 ASN A 426 -4.796 13.760 -3.104 1.00 0.00 H new ATOM 0 HD21 ASN A 426 -7.598 13.636 -5.423 1.00 0.00 H new ATOM 0 HD22 ASN A 426 -6.301 14.691 -4.853 1.00 0.00 H new ATOM 724 N VAL A 427 -5.515 10.069 -1.451 1.00 0.00 N ATOM 725 CA VAL A 427 -5.242 8.686 -1.881 1.00 0.00 C ATOM 726 C VAL A 427 -6.083 8.351 -3.124 1.00 0.00 C ATOM 727 O VAL A 427 -7.303 8.516 -3.128 1.00 0.00 O ATOM 728 CB VAL A 427 -5.506 7.661 -0.748 1.00 0.00 C ATOM 729 CG1 VAL A 427 -5.240 6.221 -1.217 1.00 0.00 C ATOM 730 CG2 VAL A 427 -4.616 7.912 0.480 1.00 0.00 C ATOM 0 H VAL A 427 -6.133 10.116 -0.641 1.00 0.00 H new ATOM 0 HA VAL A 427 -4.184 8.616 -2.132 1.00 0.00 H new ATOM 0 HB VAL A 427 -6.554 7.788 -0.479 1.00 0.00 H new ATOM 0 HG11 VAL A 427 -5.435 5.529 -0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 427 -5.895 5.984 -2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 427 -4.201 6.127 -1.531 1.00 0.00 H new ATOM 0 HG21 VAL A 427 -4.837 7.170 1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 427 -3.568 7.835 0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 427 -4.812 8.909 0.873 1.00 0.00 H new ATOM 740 N VAL A 428 -5.410 7.862 -4.165 1.00 0.00 N ATOM 741 CA VAL A 428 -5.956 7.462 -5.478 1.00 0.00 C ATOM 742 C VAL A 428 -6.139 5.938 -5.580 1.00 0.00 C ATOM 743 O VAL A 428 -7.011 5.468 -6.308 1.00 0.00 O ATOM 744 CB VAL A 428 -5.025 7.983 -6.606 1.00 0.00 C ATOM 745 CG1 VAL A 428 -5.366 7.448 -8.008 1.00 0.00 C ATOM 746 CG2 VAL A 428 -5.060 9.520 -6.655 1.00 0.00 C ATOM 0 H VAL A 428 -4.401 7.722 -4.119 1.00 0.00 H new ATOM 0 HA VAL A 428 -6.944 7.909 -5.590 1.00 0.00 H new ATOM 0 HB VAL A 428 -4.032 7.611 -6.352 1.00 0.00 H new ATOM 0 HG11 VAL A 428 -4.667 7.862 -8.735 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -5.291 6.361 -8.011 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -6.382 7.742 -8.273 1.00 0.00 H new ATOM 0 HG21 VAL A 428 -4.403 9.874 -7.450 1.00 0.00 H new ATOM 0 HG22 VAL A 428 -6.079 9.855 -6.850 1.00 0.00 H new ATOM 0 HG23 VAL A 428 -4.723 9.922 -5.700 1.00 0.00 H new ATOM 756 N SER A 429 -5.366 5.154 -4.825 1.00 0.00 N ATOM 757 CA SER A 429 -5.407 3.685 -4.830 1.00 0.00 C ATOM 758 C SER A 429 -4.915 3.133 -3.485 1.00 0.00 C ATOM 759 O SER A 429 -4.010 3.717 -2.888 1.00 0.00 O ATOM 760 CB SER A 429 -4.532 3.152 -5.973 1.00 0.00 C ATOM 761 OG SER A 429 -4.944 1.861 -6.374 1.00 0.00 O ATOM 0 H SER A 429 -4.675 5.530 -4.176 1.00 0.00 H new ATOM 0 HA SER A 429 -6.435 3.357 -4.981 1.00 0.00 H new ATOM 0 HB2 SER A 429 -4.584 3.833 -6.822 1.00 0.00 H new ATOM 0 HB3 SER A 429 -3.491 3.121 -5.653 1.00 0.00 H new ATOM 0 HG SER A 429 -4.452 1.596 -7.179 1.00 0.00 H new ATOM 767 N ALA A 430 -5.500 2.030 -3.009 1.00 0.00 N ATOM 768 CA ALA A 430 -5.175 1.361 -1.748 1.00 0.00 C ATOM 769 C ALA A 430 -5.613 -0.113 -1.799 1.00 0.00 C ATOM 770 O ALA A 430 -6.770 -0.428 -2.091 1.00 0.00 O ATOM 771 CB ALA A 430 -5.847 2.110 -0.586 1.00 0.00 C ATOM 0 H ALA A 430 -6.248 1.558 -3.517 1.00 0.00 H new ATOM 0 HA ALA A 430 -4.097 1.377 -1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 430 -5.607 1.614 0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 430 -5.484 3.137 -0.557 1.00 0.00 H new ATOM 0 HB3 ALA A 430 -6.927 2.111 -0.730 1.00 0.00 H new ATOM 777 N LYS A 431 -4.693 -1.034 -1.514 1.00 0.00 N ATOM 778 CA LYS A 431 -4.910 -2.472 -1.694 1.00 0.00 C ATOM 779 C LYS A 431 -4.014 -3.307 -0.761 1.00 0.00 C ATOM 780 O LYS A 431 -2.826 -3.021 -0.633 1.00 0.00 O ATOM 781 CB LYS A 431 -4.630 -2.807 -3.181 1.00 0.00 C ATOM 782 CG LYS A 431 -4.946 -4.255 -3.597 1.00 0.00 C ATOM 783 CD LYS A 431 -6.454 -4.500 -3.758 1.00 0.00 C ATOM 784 CE LYS A 431 -6.776 -5.992 -3.593 1.00 0.00 C ATOM 785 NZ LYS A 431 -8.240 -6.232 -3.510 1.00 0.00 N ATOM 0 H LYS A 431 -3.769 -0.803 -1.149 1.00 0.00 H new ATOM 0 HA LYS A 431 -5.938 -2.724 -1.434 1.00 0.00 H new ATOM 0 HB2 LYS A 431 -5.214 -2.131 -3.805 1.00 0.00 H new ATOM 0 HB3 LYS A 431 -3.579 -2.607 -3.390 1.00 0.00 H new ATOM 0 HG2 LYS A 431 -4.442 -4.479 -4.537 1.00 0.00 H new ATOM 0 HG3 LYS A 431 -4.547 -4.941 -2.850 1.00 0.00 H new ATOM 0 HD2 LYS A 431 -7.004 -3.919 -3.018 1.00 0.00 H new ATOM 0 HD3 LYS A 431 -6.782 -4.157 -4.740 1.00 0.00 H new ATOM 0 HE2 LYS A 431 -6.363 -6.549 -4.434 1.00 0.00 H new ATOM 0 HE3 LYS A 431 -6.293 -6.371 -2.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 -8.417 -7.244 -3.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 -8.638 -5.680 -2.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 -8.691 -5.940 -4.401 1.00 0.00 H new ATOM 799 N VAL A 432 -4.556 -4.363 -0.160 1.00 0.00 N ATOM 800 CA VAL A 432 -3.824 -5.396 0.589 1.00 0.00 C ATOM 801 C VAL A 432 -3.940 -6.716 -0.180 1.00 0.00 C ATOM 802 O VAL A 432 -5.024 -7.065 -0.653 1.00 0.00 O ATOM 803 CB VAL A 432 -4.380 -5.573 2.020 1.00 0.00 C ATOM 804 CG1 VAL A 432 -3.505 -6.572 2.798 1.00 0.00 C ATOM 805 CG2 VAL A 432 -4.424 -4.258 2.815 1.00 0.00 C ATOM 0 H VAL A 432 -5.561 -4.535 -0.179 1.00 0.00 H new ATOM 0 HA VAL A 432 -2.782 -5.090 0.684 1.00 0.00 H new ATOM 0 HB VAL A 432 -5.401 -5.937 1.910 1.00 0.00 H new ATOM 0 HG11 VAL A 432 -3.901 -6.694 3.806 1.00 0.00 H new ATOM 0 HG12 VAL A 432 -3.510 -7.535 2.287 1.00 0.00 H new ATOM 0 HG13 VAL A 432 -2.483 -6.196 2.852 1.00 0.00 H new ATOM 0 HG21 VAL A 432 -4.824 -4.448 3.811 1.00 0.00 H new ATOM 0 HG22 VAL A 432 -3.417 -3.850 2.900 1.00 0.00 H new ATOM 0 HG23 VAL A 432 -5.063 -3.542 2.298 1.00 0.00 H new ATOM 815 N PHE A 433 -2.828 -7.440 -0.323 1.00 0.00 N ATOM 816 CA PHE A 433 -2.777 -8.705 -1.061 1.00 0.00 C ATOM 817 C PHE A 433 -3.198 -9.885 -0.167 1.00 0.00 C ATOM 818 O PHE A 433 -2.832 -9.950 1.006 1.00 0.00 O ATOM 819 CB PHE A 433 -1.381 -8.864 -1.678 1.00 0.00 C ATOM 820 CG PHE A 433 -1.057 -7.766 -2.680 1.00 0.00 C ATOM 821 CD1 PHE A 433 -1.580 -7.821 -3.986 1.00 0.00 C ATOM 822 CD2 PHE A 433 -0.279 -6.657 -2.294 1.00 0.00 C ATOM 823 CE1 PHE A 433 -1.325 -6.777 -4.896 1.00 0.00 C ATOM 824 CE2 PHE A 433 -0.019 -5.616 -3.202 1.00 0.00 C ATOM 825 CZ PHE A 433 -0.545 -5.675 -4.505 1.00 0.00 C ATOM 0 H PHE A 433 -1.930 -7.163 0.073 1.00 0.00 H new ATOM 0 HA PHE A 433 -3.498 -8.697 -1.879 1.00 0.00 H new ATOM 0 HB2 PHE A 433 -0.634 -8.859 -0.884 1.00 0.00 H new ATOM 0 HB3 PHE A 433 -1.314 -9.833 -2.172 1.00 0.00 H new ATOM 0 HD1 PHE A 433 -2.179 -8.667 -4.291 1.00 0.00 H new ATOM 0 HD2 PHE A 433 0.121 -6.606 -1.292 1.00 0.00 H new ATOM 0 HE1 PHE A 433 -1.730 -6.823 -5.896 1.00 0.00 H new ATOM 0 HE2 PHE A 433 0.584 -4.772 -2.900 1.00 0.00 H new ATOM 0 HZ PHE A 433 -0.350 -4.875 -5.204 1.00 0.00 H new ATOM 963 N LYS A 442 -1.492 -11.114 3.280 1.00 0.00 N ATOM 964 CA LYS A 442 -0.085 -11.541 3.181 1.00 0.00 C ATOM 965 C LYS A 442 0.916 -10.665 3.975 1.00 0.00 C ATOM 966 O LYS A 442 2.130 -10.812 3.818 1.00 0.00 O ATOM 967 CB LYS A 442 0.303 -11.612 1.690 1.00 0.00 C ATOM 968 CG LYS A 442 -0.478 -12.669 0.894 1.00 0.00 C ATOM 969 CD LYS A 442 0.054 -12.744 -0.543 1.00 0.00 C ATOM 970 CE LYS A 442 -0.673 -13.842 -1.329 1.00 0.00 C ATOM 971 NZ LYS A 442 -0.116 -13.998 -2.699 1.00 0.00 N ATOM 0 HA LYS A 442 -0.016 -12.522 3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 442 0.140 -10.635 1.235 1.00 0.00 H new ATOM 0 HB3 LYS A 442 1.369 -11.826 1.612 1.00 0.00 H new ATOM 0 HG2 LYS A 442 -0.384 -13.642 1.376 1.00 0.00 H new ATOM 0 HG3 LYS A 442 -1.539 -12.419 0.885 1.00 0.00 H new ATOM 0 HD2 LYS A 442 -0.083 -11.783 -1.038 1.00 0.00 H new ATOM 0 HD3 LYS A 442 1.125 -12.946 -0.530 1.00 0.00 H new ATOM 0 HE2 LYS A 442 -0.592 -14.788 -0.793 1.00 0.00 H new ATOM 0 HE3 LYS A 442 -1.734 -13.602 -1.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 -0.632 -14.749 -3.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 -0.216 -13.103 -3.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 0.891 -14.252 -2.638 1.00 0.00 H new ATOM 985 N CYS A 443 0.412 -9.719 4.774 1.00 0.00 N ATOM 986 CA CYS A 443 1.159 -8.699 5.526 1.00 0.00 C ATOM 987 C CYS A 443 1.849 -7.654 4.624 1.00 0.00 C ATOM 988 O CYS A 443 2.742 -6.949 5.093 1.00 0.00 O ATOM 989 CB CYS A 443 2.130 -9.347 6.532 1.00 0.00 C ATOM 990 SG CYS A 443 1.249 -10.509 7.619 1.00 0.00 S ATOM 0 H CYS A 443 -0.594 -9.638 4.924 1.00 0.00 H new ATOM 0 HA CYS A 443 0.423 -8.134 6.098 1.00 0.00 H new ATOM 0 HB2 CYS A 443 2.921 -9.871 5.996 1.00 0.00 H new ATOM 0 HB3 CYS A 443 2.610 -8.574 7.131 1.00 0.00 H new ATOM 0 HG CYS A 443 0.601 -9.845 8.529 1.00 0.00 H new ATOM 996 N PHE A 444 1.436 -7.508 3.362 1.00 0.00 N ATOM 997 CA PHE A 444 1.925 -6.456 2.468 1.00 0.00 C ATOM 998 C PHE A 444 0.825 -5.937 1.529 1.00 0.00 C ATOM 999 O PHE A 444 -0.171 -6.618 1.264 1.00 0.00 O ATOM 1000 CB PHE A 444 3.202 -6.903 1.731 1.00 0.00 C ATOM 1001 CG PHE A 444 3.021 -7.974 0.670 1.00 0.00 C ATOM 1002 CD1 PHE A 444 2.665 -7.611 -0.644 1.00 0.00 C ATOM 1003 CD2 PHE A 444 3.250 -9.327 0.979 1.00 0.00 C ATOM 1004 CE1 PHE A 444 2.512 -8.598 -1.635 1.00 0.00 C ATOM 1005 CE2 PHE A 444 3.110 -10.313 -0.015 1.00 0.00 C ATOM 1006 CZ PHE A 444 2.730 -9.950 -1.320 1.00 0.00 C ATOM 0 H PHE A 444 0.747 -8.122 2.929 1.00 0.00 H new ATOM 0 HA PHE A 444 2.207 -5.599 3.080 1.00 0.00 H new ATOM 0 HB2 PHE A 444 3.651 -6.028 1.262 1.00 0.00 H new ATOM 0 HB3 PHE A 444 3.914 -7.269 2.470 1.00 0.00 H new ATOM 0 HD1 PHE A 444 2.509 -6.571 -0.891 1.00 0.00 H new ATOM 0 HD2 PHE A 444 3.534 -9.610 1.982 1.00 0.00 H new ATOM 0 HE1 PHE A 444 2.227 -8.316 -2.638 1.00 0.00 H new ATOM 0 HE2 PHE A 444 3.295 -11.350 0.224 1.00 0.00 H new ATOM 0 HZ PHE A 444 2.606 -10.709 -2.078 1.00 0.00 H new ATOM 1016 N GLY A 445 1.005 -4.698 1.072 1.00 0.00 N ATOM 1017 CA GLY A 445 0.024 -3.905 0.331 1.00 0.00 C ATOM 1018 C GLY A 445 0.648 -2.811 -0.535 1.00 0.00 C ATOM 1019 O GLY A 445 1.870 -2.682 -0.633 1.00 0.00 O ATOM 0 H GLY A 445 1.881 -4.196 1.215 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -0.562 -4.569 -0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -0.668 -3.447 1.037 1.00 0.00 H new ATOM 1023 N PHE A 446 -0.215 -2.016 -1.160 1.00 0.00 N ATOM 1024 CA PHE A 446 0.113 -0.955 -2.108 1.00 0.00 C ATOM 1025 C PHE A 446 -0.814 0.250 -1.892 1.00 0.00 C ATOM 1026 O PHE A 446 -1.998 0.073 -1.605 1.00 0.00 O ATOM 1027 CB PHE A 446 -0.026 -1.524 -3.529 1.00 0.00 C ATOM 1028 CG PHE A 446 0.240 -0.521 -4.636 1.00 0.00 C ATOM 1029 CD1 PHE A 446 1.563 -0.155 -4.942 1.00 0.00 C ATOM 1030 CD2 PHE A 446 -0.828 0.052 -5.356 1.00 0.00 C ATOM 1031 CE1 PHE A 446 1.828 0.771 -5.968 1.00 0.00 C ATOM 1032 CE2 PHE A 446 -0.559 0.973 -6.383 1.00 0.00 C ATOM 1033 CZ PHE A 446 0.764 1.328 -6.694 1.00 0.00 C ATOM 0 H PHE A 446 -1.220 -2.099 -1.010 1.00 0.00 H new ATOM 0 HA PHE A 446 1.135 -0.608 -1.958 1.00 0.00 H new ATOM 0 HB2 PHE A 446 0.663 -2.361 -3.641 1.00 0.00 H new ATOM 0 HB3 PHE A 446 -1.033 -1.922 -3.651 1.00 0.00 H new ATOM 0 HD1 PHE A 446 2.381 -0.588 -4.386 1.00 0.00 H new ATOM 0 HD2 PHE A 446 -1.847 -0.215 -5.120 1.00 0.00 H new ATOM 0 HE1 PHE A 446 2.846 1.052 -6.196 1.00 0.00 H new ATOM 0 HE2 PHE A 446 -1.376 1.411 -6.937 1.00 0.00 H new ATOM 0 HZ PHE A 446 0.962 2.029 -7.491 1.00 0.00 H new ATOM 1043 N VAL A 447 -0.283 1.467 -2.030 1.00 0.00 N ATOM 1044 CA VAL A 447 -1.014 2.739 -1.861 1.00 0.00 C ATOM 1045 C VAL A 447 -0.483 3.754 -2.876 1.00 0.00 C ATOM 1046 O VAL A 447 0.715 3.801 -3.116 1.00 0.00 O ATOM 1047 CB VAL A 447 -0.880 3.309 -0.424 1.00 0.00 C ATOM 1048 CG1 VAL A 447 -1.596 4.662 -0.248 1.00 0.00 C ATOM 1049 CG2 VAL A 447 -1.441 2.348 0.639 1.00 0.00 C ATOM 0 H VAL A 447 0.699 1.606 -2.270 1.00 0.00 H new ATOM 0 HA VAL A 447 -2.073 2.546 -2.030 1.00 0.00 H new ATOM 0 HB VAL A 447 0.192 3.442 -0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 447 -1.468 5.011 0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 447 -1.169 5.392 -0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 447 -2.658 4.542 -0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 447 -1.324 2.791 1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 447 -2.498 2.167 0.445 1.00 0.00 H new ATOM 0 HG23 VAL A 447 -0.898 1.404 0.598 1.00 0.00 H new ATOM 1059 N SER A 448 -1.342 4.583 -3.465 1.00 0.00 N ATOM 1060 CA SER A 448 -0.933 5.662 -4.383 1.00 0.00 C ATOM 1061 C SER A 448 -1.697 6.961 -4.128 1.00 0.00 C ATOM 1062 O SER A 448 -2.892 6.933 -3.838 1.00 0.00 O ATOM 1063 CB SER A 448 -1.167 5.259 -5.841 1.00 0.00 C ATOM 1064 OG SER A 448 -0.340 4.178 -6.222 1.00 0.00 O ATOM 0 H SER A 448 -2.351 4.531 -3.322 1.00 0.00 H new ATOM 0 HA SER A 448 0.128 5.828 -4.197 1.00 0.00 H new ATOM 0 HB2 SER A 448 -2.213 4.984 -5.980 1.00 0.00 H new ATOM 0 HB3 SER A 448 -0.973 6.113 -6.490 1.00 0.00 H new ATOM 0 HG SER A 448 -0.834 3.337 -6.122 1.00 0.00 H new ATOM 1070 N TYR A 449 -1.023 8.100 -4.291 1.00 0.00 N ATOM 1071 CA TYR A 449 -1.571 9.447 -4.088 1.00 0.00 C ATOM 1072 C TYR A 449 -1.677 10.258 -5.389 1.00 0.00 C ATOM 1073 O TYR A 449 -1.065 9.932 -6.405 1.00 0.00 O ATOM 1074 CB TYR A 449 -0.691 10.209 -3.086 1.00 0.00 C ATOM 1075 CG TYR A 449 -0.765 9.694 -1.668 1.00 0.00 C ATOM 1076 CD1 TYR A 449 -0.011 8.569 -1.283 1.00 0.00 C ATOM 1077 CD2 TYR A 449 -1.617 10.326 -0.742 1.00 0.00 C ATOM 1078 CE1 TYR A 449 -0.093 8.089 0.035 1.00 0.00 C ATOM 1079 CE2 TYR A 449 -1.710 9.846 0.576 1.00 0.00 C ATOM 1080 CZ TYR A 449 -0.943 8.726 0.962 1.00 0.00 C ATOM 1081 OH TYR A 449 -1.039 8.231 2.219 1.00 0.00 O ATOM 0 H TYR A 449 -0.044 8.113 -4.579 1.00 0.00 H new ATOM 0 HA TYR A 449 -2.584 9.324 -3.704 1.00 0.00 H new ATOM 0 HB2 TYR A 449 0.345 10.162 -3.422 1.00 0.00 H new ATOM 0 HB3 TYR A 449 -0.981 11.260 -3.093 1.00 0.00 H new ATOM 0 HD1 TYR A 449 0.629 8.076 -1.999 1.00 0.00 H new ATOM 0 HD2 TYR A 449 -2.201 11.182 -1.045 1.00 0.00 H new ATOM 0 HE1 TYR A 449 0.494 7.234 0.337 1.00 0.00 H new ATOM 0 HE2 TYR A 449 -2.363 10.330 1.287 1.00 0.00 H new ATOM 0 HH TYR A 449 -1.885 8.520 2.621 1.00 0.00 H new ATOM 1091 N ASP A 450 -2.421 11.364 -5.333 1.00 0.00 N ATOM 1092 CA ASP A 450 -2.513 12.358 -6.410 1.00 0.00 C ATOM 1093 C ASP A 450 -1.220 13.189 -6.580 1.00 0.00 C ATOM 1094 O ASP A 450 -0.991 13.754 -7.649 1.00 0.00 O ATOM 1095 CB ASP A 450 -3.725 13.253 -6.113 1.00 0.00 C ATOM 1096 CG ASP A 450 -4.041 14.256 -7.235 1.00 0.00 C ATOM 1097 OD1 ASP A 450 -4.295 13.820 -8.382 1.00 0.00 O ATOM 1098 OD2 ASP A 450 -4.090 15.476 -6.946 1.00 0.00 O ATOM 0 H ASP A 450 -2.990 11.601 -4.520 1.00 0.00 H new ATOM 0 HA ASP A 450 -2.641 11.842 -7.361 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -4.598 12.623 -5.944 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -3.543 13.801 -5.188 1.00 0.00 H new ATOM 1103 N ASN A 451 -0.354 13.230 -5.554 1.00 0.00 N ATOM 1104 CA ASN A 451 0.905 13.991 -5.526 1.00 0.00 C ATOM 1105 C ASN A 451 1.978 13.280 -4.666 1.00 0.00 C ATOM 1106 O ASN A 451 1.627 12.580 -3.709 1.00 0.00 O ATOM 1107 CB ASN A 451 0.677 15.405 -4.956 1.00 0.00 C ATOM 1108 CG ASN A 451 -0.501 16.160 -5.566 1.00 0.00 C ATOM 1109 OD1 ASN A 451 -0.400 16.750 -6.635 1.00 0.00 O ATOM 1110 ND2 ASN A 451 -1.636 16.182 -4.888 1.00 0.00 N ATOM 0 H ASN A 451 -0.518 12.715 -4.689 1.00 0.00 H new ATOM 0 HA ASN A 451 1.258 14.058 -6.555 1.00 0.00 H new ATOM 0 HB2 ASN A 451 0.522 15.327 -3.880 1.00 0.00 H new ATOM 0 HB3 ASN A 451 1.583 15.992 -5.106 1.00 0.00 H new ATOM 0 HD21 ASN A 451 -2.439 16.694 -5.254 1.00 0.00 H new ATOM 0 HD22 ASN A 451 -1.709 15.687 -3.999 1.00 0.00 H new ATOM 1117 N PRO A 452 3.284 13.492 -4.936 1.00 0.00 N ATOM 1118 CA PRO A 452 4.366 12.803 -4.234 1.00 0.00 C ATOM 1119 C PRO A 452 4.688 13.390 -2.851 1.00 0.00 C ATOM 1120 O PRO A 452 5.279 12.696 -2.030 1.00 0.00 O ATOM 1121 CB PRO A 452 5.557 12.867 -5.188 1.00 0.00 C ATOM 1122 CG PRO A 452 5.347 14.159 -5.966 1.00 0.00 C ATOM 1123 CD PRO A 452 3.822 14.309 -6.018 1.00 0.00 C ATOM 0 HA PRO A 452 4.080 11.778 -4.000 1.00 0.00 H new ATOM 0 HB2 PRO A 452 6.502 12.879 -4.645 1.00 0.00 H new ATOM 0 HB3 PRO A 452 5.582 12.003 -5.852 1.00 0.00 H new ATOM 0 HG2 PRO A 452 5.816 15.007 -5.467 1.00 0.00 H new ATOM 0 HG3 PRO A 452 5.778 14.099 -6.966 1.00 0.00 H new ATOM 0 HD2 PRO A 452 3.531 15.352 -5.897 1.00 0.00 H new ATOM 0 HD3 PRO A 452 3.433 13.980 -6.982 1.00 0.00 H new ATOM 1131 N VAL A 453 4.262 14.624 -2.550 1.00 0.00 N ATOM 1132 CA VAL A 453 4.402 15.228 -1.208 1.00 0.00 C ATOM 1133 C VAL A 453 3.423 14.574 -0.222 1.00 0.00 C ATOM 1134 O VAL A 453 3.808 14.248 0.897 1.00 0.00 O ATOM 1135 CB VAL A 453 4.209 16.765 -1.243 1.00 0.00 C ATOM 1136 CG1 VAL A 453 4.322 17.402 0.154 1.00 0.00 C ATOM 1137 CG2 VAL A 453 5.248 17.429 -2.166 1.00 0.00 C ATOM 0 H VAL A 453 3.809 15.237 -3.228 1.00 0.00 H new ATOM 0 HA VAL A 453 5.420 15.041 -0.865 1.00 0.00 H new ATOM 0 HB VAL A 453 3.202 16.935 -1.625 1.00 0.00 H new ATOM 0 HG11 VAL A 453 4.179 18.480 0.075 1.00 0.00 H new ATOM 0 HG12 VAL A 453 3.558 16.982 0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 453 5.309 17.196 0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 453 5.091 18.508 -2.173 1.00 0.00 H new ATOM 0 HG22 VAL A 453 6.251 17.211 -1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 453 5.137 17.039 -3.178 1.00 0.00 H new ATOM 1147 N SER A 454 2.186 14.297 -0.654 1.00 0.00 N ATOM 1148 CA SER A 454 1.192 13.542 0.130 1.00 0.00 C ATOM 1149 C SER A 454 1.658 12.104 0.405 1.00 0.00 C ATOM 1150 O SER A 454 1.400 11.543 1.470 1.00 0.00 O ATOM 1151 CB SER A 454 -0.136 13.491 -0.644 1.00 0.00 C ATOM 1152 OG SER A 454 -0.522 14.758 -1.165 1.00 0.00 O ATOM 0 H SER A 454 1.841 14.593 -1.567 1.00 0.00 H new ATOM 0 HA SER A 454 1.065 14.052 1.085 1.00 0.00 H new ATOM 0 HB2 SER A 454 -0.046 12.779 -1.464 1.00 0.00 H new ATOM 0 HB3 SER A 454 -0.921 13.120 0.015 1.00 0.00 H new ATOM 0 HG SER A 454 -1.370 14.668 -1.648 1.00 0.00 H new ATOM 1158 N ALA A 455 2.407 11.529 -0.542 1.00 0.00 N ATOM 1159 CA ALA A 455 2.993 10.200 -0.439 1.00 0.00 C ATOM 1160 C ALA A 455 4.189 10.171 0.525 1.00 0.00 C ATOM 1161 O ALA A 455 4.211 9.353 1.441 1.00 0.00 O ATOM 1162 CB ALA A 455 3.356 9.761 -1.858 1.00 0.00 C ATOM 0 H ALA A 455 2.625 11.993 -1.424 1.00 0.00 H new ATOM 0 HA ALA A 455 2.281 9.496 -0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 455 3.800 8.766 -1.829 1.00 0.00 H new ATOM 0 HB2 ALA A 455 2.457 9.739 -2.473 1.00 0.00 H new ATOM 0 HB3 ALA A 455 4.070 10.465 -2.285 1.00 0.00 H new ATOM 1168 N GLN A 456 5.148 11.094 0.388 1.00 0.00 N ATOM 1169 CA GLN A 456 6.281 11.220 1.314 1.00 0.00 C ATOM 1170 C GLN A 456 5.820 11.483 2.751 1.00 0.00 C ATOM 1171 O GLN A 456 6.359 10.880 3.678 1.00 0.00 O ATOM 1172 CB GLN A 456 7.238 12.330 0.843 1.00 0.00 C ATOM 1173 CG GLN A 456 8.228 11.847 -0.232 1.00 0.00 C ATOM 1174 CD GLN A 456 9.297 10.876 0.290 1.00 0.00 C ATOM 1175 OE1 GLN A 456 9.422 10.588 1.477 1.00 0.00 O ATOM 1176 NE2 GLN A 456 10.114 10.322 -0.581 1.00 0.00 N ATOM 0 H GLN A 456 5.161 11.777 -0.370 1.00 0.00 H new ATOM 0 HA GLN A 456 6.813 10.268 1.312 1.00 0.00 H new ATOM 0 HB2 GLN A 456 6.655 13.162 0.447 1.00 0.00 H new ATOM 0 HB3 GLN A 456 7.795 12.710 1.699 1.00 0.00 H new ATOM 0 HG2 GLN A 456 7.670 11.360 -1.032 1.00 0.00 H new ATOM 0 HG3 GLN A 456 8.723 12.714 -0.670 1.00 0.00 H new ATOM 0 HE21 GLN A 456 10.030 10.545 -1.573 1.00 0.00 H new ATOM 0 HE22 GLN A 456 10.831 9.669 -0.264 1.00 0.00 H new ATOM 1185 N ALA A 457 4.776 12.296 2.947 1.00 0.00 N ATOM 1186 CA ALA A 457 4.167 12.521 4.258 1.00 0.00 C ATOM 1187 C ALA A 457 3.661 11.224 4.917 1.00 0.00 C ATOM 1188 O ALA A 457 3.679 11.124 6.145 1.00 0.00 O ATOM 1189 CB ALA A 457 3.041 13.546 4.099 1.00 0.00 C ATOM 0 H ALA A 457 4.329 12.819 2.194 1.00 0.00 H new ATOM 0 HA ALA A 457 4.931 12.906 4.933 1.00 0.00 H new ATOM 0 HB1 ALA A 457 2.574 13.727 5.067 1.00 0.00 H new ATOM 0 HB2 ALA A 457 3.451 14.480 3.713 1.00 0.00 H new ATOM 0 HB3 ALA A 457 2.295 13.162 3.403 1.00 0.00 H new ATOM 1195 N ALA A 458 3.276 10.214 4.126 1.00 0.00 N ATOM 1196 CA ALA A 458 2.938 8.886 4.622 1.00 0.00 C ATOM 1197 C ALA A 458 4.189 8.043 4.898 1.00 0.00 C ATOM 1198 O ALA A 458 4.275 7.445 5.967 1.00 0.00 O ATOM 1199 CB ALA A 458 1.999 8.205 3.626 1.00 0.00 C ATOM 0 H ALA A 458 3.192 10.303 3.113 1.00 0.00 H new ATOM 0 HA ALA A 458 2.427 8.985 5.580 1.00 0.00 H new ATOM 0 HB1 ALA A 458 1.741 7.210 3.990 1.00 0.00 H new ATOM 0 HB2 ALA A 458 1.091 8.798 3.518 1.00 0.00 H new ATOM 0 HB3 ALA A 458 2.494 8.120 2.659 1.00 0.00 H new ATOM 1205 N ILE A 459 5.191 8.032 4.003 1.00 0.00 N ATOM 1206 CA ILE A 459 6.441 7.262 4.220 1.00 0.00 C ATOM 1207 C ILE A 459 7.124 7.708 5.518 1.00 0.00 C ATOM 1208 O ILE A 459 7.449 6.873 6.360 1.00 0.00 O ATOM 1209 CB ILE A 459 7.443 7.358 3.041 1.00 0.00 C ATOM 1210 CG1 ILE A 459 6.789 7.042 1.682 1.00 0.00 C ATOM 1211 CG2 ILE A 459 8.624 6.389 3.279 1.00 0.00 C ATOM 1212 CD1 ILE A 459 7.741 7.249 0.501 1.00 0.00 C ATOM 0 H ILE A 459 5.166 8.545 3.122 1.00 0.00 H new ATOM 0 HA ILE A 459 6.142 6.216 4.292 1.00 0.00 H new ATOM 0 HB ILE A 459 7.797 8.388 3.004 1.00 0.00 H new ATOM 0 HG12 ILE A 459 6.439 6.010 1.684 1.00 0.00 H new ATOM 0 HG13 ILE A 459 5.912 7.675 1.550 1.00 0.00 H new ATOM 0 HG21 ILE A 459 9.326 6.460 2.448 1.00 0.00 H new ATOM 0 HG22 ILE A 459 9.132 6.655 4.206 1.00 0.00 H new ATOM 0 HG23 ILE A 459 8.248 5.368 3.351 1.00 0.00 H new ATOM 0 HD11 ILE A 459 7.224 7.011 -0.429 1.00 0.00 H new ATOM 0 HD12 ILE A 459 8.071 8.288 0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 459 8.607 6.596 0.613 1.00 0.00 H new ATOM 1224 N GLN A 460 7.296 9.019 5.710 1.00 0.00 N ATOM 1225 CA GLN A 460 8.010 9.568 6.865 1.00 0.00 C ATOM 1226 C GLN A 460 7.198 9.495 8.174 1.00 0.00 C ATOM 1227 O GLN A 460 7.763 9.684 9.252 1.00 0.00 O ATOM 1228 CB GLN A 460 8.463 11.012 6.571 1.00 0.00 C ATOM 1229 CG GLN A 460 9.314 11.205 5.296 1.00 0.00 C ATOM 1230 CD GLN A 460 10.481 10.227 5.137 1.00 0.00 C ATOM 1231 OE1 GLN A 460 11.161 9.852 6.086 1.00 0.00 O ATOM 1232 NE2 GLN A 460 10.757 9.766 3.934 1.00 0.00 N ATOM 0 H GLN A 460 6.944 9.729 5.068 1.00 0.00 H new ATOM 0 HA GLN A 460 8.887 8.941 7.024 1.00 0.00 H new ATOM 0 HB2 GLN A 460 7.577 11.641 6.492 1.00 0.00 H new ATOM 0 HB3 GLN A 460 9.036 11.374 7.425 1.00 0.00 H new ATOM 0 HG2 GLN A 460 8.663 11.113 4.427 1.00 0.00 H new ATOM 0 HG3 GLN A 460 9.709 12.221 5.293 1.00 0.00 H new ATOM 0 HE21 GLN A 460 10.202 10.067 3.133 1.00 0.00 H new ATOM 0 HE22 GLN A 460 11.526 9.108 3.804 1.00 0.00 H new ATOM 1241 N SER A 461 5.899 9.184 8.112 1.00 0.00 N ATOM 1242 CA SER A 461 5.040 8.986 9.295 1.00 0.00 C ATOM 1243 C SER A 461 4.788 7.508 9.640 1.00 0.00 C ATOM 1244 O SER A 461 4.610 7.180 10.817 1.00 0.00 O ATOM 1245 CB SER A 461 3.681 9.673 9.094 1.00 0.00 C ATOM 1246 OG SER A 461 3.813 11.075 8.905 1.00 0.00 O ATOM 0 H SER A 461 5.404 9.060 7.229 1.00 0.00 H new ATOM 0 HA SER A 461 5.587 9.431 10.126 1.00 0.00 H new ATOM 0 HB2 SER A 461 3.179 9.237 8.230 1.00 0.00 H new ATOM 0 HB3 SER A 461 3.047 9.483 9.960 1.00 0.00 H new ATOM 0 HG SER A 461 3.787 11.280 7.947 1.00 0.00 H new ATOM 1252 N MET A 462 4.785 6.610 8.644 1.00 0.00 N ATOM 1253 CA MET A 462 4.338 5.214 8.788 1.00 0.00 C ATOM 1254 C MET A 462 5.449 4.171 8.675 1.00 0.00 C ATOM 1255 O MET A 462 5.275 3.045 9.143 1.00 0.00 O ATOM 1256 CB MET A 462 3.243 4.906 7.758 1.00 0.00 C ATOM 1257 CG MET A 462 2.009 5.803 7.928 1.00 0.00 C ATOM 1258 SD MET A 462 1.288 5.841 9.595 1.00 0.00 S ATOM 1259 CE MET A 462 0.625 4.167 9.684 1.00 0.00 C ATOM 0 H MET A 462 5.098 6.836 7.700 1.00 0.00 H new ATOM 0 HA MET A 462 3.955 5.136 9.806 1.00 0.00 H new ATOM 0 HB2 MET A 462 3.646 5.035 6.754 1.00 0.00 H new ATOM 0 HB3 MET A 462 2.945 3.862 7.850 1.00 0.00 H new ATOM 0 HG2 MET A 462 2.280 6.820 7.646 1.00 0.00 H new ATOM 0 HG3 MET A 462 1.242 5.472 7.228 1.00 0.00 H new ATOM 0 HE1 MET A 462 -0.153 4.124 10.447 1.00 0.00 H new ATOM 0 HE2 MET A 462 0.202 3.891 8.718 1.00 0.00 H new ATOM 0 HE3 MET A 462 1.424 3.472 9.941 1.00 0.00 H new ATOM 1269 N ASN A 463 6.603 4.517 8.102 1.00 0.00 N ATOM 1270 CA ASN A 463 7.761 3.629 8.095 1.00 0.00 C ATOM 1271 C ASN A 463 8.323 3.493 9.528 1.00 0.00 C ATOM 1272 O ASN A 463 8.863 4.450 10.088 1.00 0.00 O ATOM 1273 CB ASN A 463 8.785 4.161 7.086 1.00 0.00 C ATOM 1274 CG ASN A 463 9.906 3.161 6.858 1.00 0.00 C ATOM 1275 OD1 ASN A 463 9.659 2.053 6.400 1.00 0.00 O ATOM 1276 ND2 ASN A 463 11.141 3.501 7.174 1.00 0.00 N ATOM 0 H ASN A 463 6.758 5.411 7.635 1.00 0.00 H new ATOM 0 HA ASN A 463 7.485 2.623 7.778 1.00 0.00 H new ATOM 0 HB2 ASN A 463 8.289 4.376 6.140 1.00 0.00 H new ATOM 0 HB3 ASN A 463 9.201 5.101 7.448 1.00 0.00 H new ATOM 0 HD21 ASN A 463 11.903 2.837 7.037 1.00 0.00 H new ATOM 0 HD22 ASN A 463 11.333 4.428 7.555 1.00 0.00 H new ATOM 1283 N GLY A 464 8.147 2.315 10.137 1.00 0.00 N ATOM 1284 CA GLY A 464 8.442 2.034 11.552 1.00 0.00 C ATOM 1285 C GLY A 464 7.257 2.219 12.510 1.00 0.00 C ATOM 1286 O GLY A 464 7.470 2.174 13.722 1.00 0.00 O ATOM 0 H GLY A 464 7.782 1.500 9.643 1.00 0.00 H new ATOM 0 HA2 GLY A 464 8.801 1.008 11.636 1.00 0.00 H new ATOM 0 HA3 GLY A 464 9.255 2.684 11.874 1.00 0.00 H new ATOM 1290 N PHE A 465 6.025 2.412 12.023 1.00 0.00 N ATOM 1291 CA PHE A 465 4.821 2.533 12.863 1.00 0.00 C ATOM 1292 C PHE A 465 4.534 1.223 13.612 1.00 0.00 C ATOM 1293 O PHE A 465 4.411 0.171 12.985 1.00 0.00 O ATOM 1294 CB PHE A 465 3.638 2.931 11.972 1.00 0.00 C ATOM 1295 CG PHE A 465 2.308 3.111 12.682 1.00 0.00 C ATOM 1296 CD1 PHE A 465 1.953 4.378 13.185 1.00 0.00 C ATOM 1297 CD2 PHE A 465 1.408 2.033 12.812 1.00 0.00 C ATOM 1298 CE1 PHE A 465 0.709 4.568 13.813 1.00 0.00 C ATOM 1299 CE2 PHE A 465 0.163 2.226 13.440 1.00 0.00 C ATOM 1300 CZ PHE A 465 -0.187 3.492 13.939 1.00 0.00 C ATOM 0 H PHE A 465 5.831 2.490 11.025 1.00 0.00 H new ATOM 0 HA PHE A 465 4.981 3.302 13.619 1.00 0.00 H new ATOM 0 HB2 PHE A 465 3.887 3.863 11.465 1.00 0.00 H new ATOM 0 HB3 PHE A 465 3.517 2.171 11.200 1.00 0.00 H new ATOM 0 HD1 PHE A 465 2.639 5.207 13.088 1.00 0.00 H new ATOM 0 HD2 PHE A 465 1.674 1.059 12.429 1.00 0.00 H new ATOM 0 HE1 PHE A 465 0.442 5.541 14.199 1.00 0.00 H new ATOM 0 HE2 PHE A 465 -0.525 1.399 13.538 1.00 0.00 H new ATOM 0 HZ PHE A 465 -1.143 3.638 14.419 1.00 0.00 H new ATOM 1310 N GLN A 466 4.428 1.267 14.942 1.00 0.00 N ATOM 1311 CA GLN A 466 4.174 0.081 15.764 1.00 0.00 C ATOM 1312 C GLN A 466 2.683 -0.299 15.733 1.00 0.00 C ATOM 1313 O GLN A 466 1.813 0.546 15.954 1.00 0.00 O ATOM 1314 CB GLN A 466 4.681 0.330 17.196 1.00 0.00 C ATOM 1315 CG GLN A 466 4.653 -0.948 18.056 1.00 0.00 C ATOM 1316 CD GLN A 466 5.143 -0.730 19.492 1.00 0.00 C ATOM 1317 OE1 GLN A 466 5.929 0.160 19.802 1.00 0.00 O ATOM 1318 NE2 GLN A 466 4.699 -1.537 20.437 1.00 0.00 N ATOM 0 H GLN A 466 4.516 2.128 15.481 1.00 0.00 H new ATOM 0 HA GLN A 466 4.721 -0.768 15.355 1.00 0.00 H new ATOM 0 HB2 GLN A 466 5.699 0.717 17.157 1.00 0.00 H new ATOM 0 HB3 GLN A 466 4.067 1.097 17.668 1.00 0.00 H new ATOM 0 HG2 GLN A 466 3.635 -1.336 18.083 1.00 0.00 H new ATOM 0 HG3 GLN A 466 5.272 -1.709 17.581 1.00 0.00 H new ATOM 0 HE21 GLN A 466 4.045 -2.284 20.204 1.00 0.00 H new ATOM 0 HE22 GLN A 466 5.010 -1.414 21.401 1.00 0.00 H new ATOM 1327 N ILE A 467 2.383 -1.578 15.484 1.00 0.00 N ATOM 1328 CA ILE A 467 1.017 -2.119 15.397 1.00 0.00 C ATOM 1329 C ILE A 467 0.987 -3.587 15.857 1.00 0.00 C ATOM 1330 O ILE A 467 1.857 -4.379 15.485 1.00 0.00 O ATOM 1331 CB ILE A 467 0.454 -1.898 13.969 1.00 0.00 C ATOM 1332 CG1 ILE A 467 -1.086 -1.986 13.982 1.00 0.00 C ATOM 1333 CG2 ILE A 467 1.074 -2.842 12.922 1.00 0.00 C ATOM 1334 CD1 ILE A 467 -1.748 -1.598 12.653 1.00 0.00 C ATOM 0 H ILE A 467 3.101 -2.287 15.333 1.00 0.00 H new ATOM 0 HA ILE A 467 0.357 -1.582 16.078 1.00 0.00 H new ATOM 0 HB ILE A 467 0.742 -0.893 13.661 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -1.379 -3.004 14.237 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -1.469 -1.337 14.769 1.00 0.00 H new ATOM 0 HG21 ILE A 467 0.638 -2.637 11.944 1.00 0.00 H new ATOM 0 HG22 ILE A 467 2.151 -2.682 12.880 1.00 0.00 H new ATOM 0 HG23 ILE A 467 0.872 -3.876 13.200 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -2.830 -1.687 12.746 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -1.488 -0.569 12.404 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -1.396 -2.262 11.864 1.00 0.00 H new ATOM 1392 N ARG A 471 6.311 -3.805 13.870 1.00 0.00 N ATOM 1393 CA ARG A 471 6.469 -2.480 13.245 1.00 0.00 C ATOM 1394 C ARG A 471 6.347 -2.574 11.719 1.00 0.00 C ATOM 1395 O ARG A 471 6.913 -3.477 11.099 1.00 0.00 O ATOM 1396 CB ARG A 471 7.813 -1.844 13.643 1.00 0.00 C ATOM 1397 CG ARG A 471 7.924 -1.596 15.152 1.00 0.00 C ATOM 1398 CD ARG A 471 9.253 -0.928 15.519 1.00 0.00 C ATOM 1399 NE ARG A 471 9.265 0.507 15.190 1.00 0.00 N ATOM 1400 CZ ARG A 471 10.259 1.361 15.396 1.00 0.00 C ATOM 1401 NH1 ARG A 471 11.413 0.989 15.910 1.00 0.00 N ATOM 1402 NH2 ARG A 471 10.086 2.624 15.078 1.00 0.00 N ATOM 0 HA ARG A 471 5.666 -1.840 13.610 1.00 0.00 H new ATOM 0 HB2 ARG A 471 8.627 -2.495 13.325 1.00 0.00 H new ATOM 0 HB3 ARG A 471 7.935 -0.899 13.113 1.00 0.00 H new ATOM 0 HG2 ARG A 471 7.097 -0.966 15.479 1.00 0.00 H new ATOM 0 HG3 ARG A 471 7.833 -2.543 15.684 1.00 0.00 H new ATOM 0 HD2 ARG A 471 9.439 -1.056 16.585 1.00 0.00 H new ATOM 0 HD3 ARG A 471 10.066 -1.427 14.991 1.00 0.00 H new ATOM 0 HE ARG A 471 8.421 0.884 14.759 1.00 0.00 H new ATOM 0 HH11 ARG A 471 11.567 0.013 16.165 1.00 0.00 H new ATOM 0 HH12 ARG A 471 12.153 1.676 16.053 1.00 0.00 H new ATOM 0 HH21 ARG A 471 9.199 2.933 14.680 1.00 0.00 H new ATOM 0 HH22 ARG A 471 10.839 3.296 15.229 1.00 0.00 H new ATOM 1416 N LEU A 472 5.605 -1.636 11.129 1.00 0.00 N ATOM 1417 CA LEU A 472 5.394 -1.511 9.682 1.00 0.00 C ATOM 1418 C LEU A 472 6.662 -1.034 8.956 1.00 0.00 C ATOM 1419 O LEU A 472 7.555 -0.437 9.555 1.00 0.00 O ATOM 1420 CB LEU A 472 4.237 -0.525 9.399 1.00 0.00 C ATOM 1421 CG LEU A 472 2.850 -0.917 9.944 1.00 0.00 C ATOM 1422 CD1 LEU A 472 1.794 0.080 9.449 1.00 0.00 C ATOM 1423 CD2 LEU A 472 2.452 -2.330 9.506 1.00 0.00 C ATOM 0 H LEU A 472 5.117 -0.916 11.662 1.00 0.00 H new ATOM 0 HA LEU A 472 5.141 -2.501 9.303 1.00 0.00 H new ATOM 0 HB2 LEU A 472 4.506 0.445 9.817 1.00 0.00 H new ATOM 0 HB3 LEU A 472 4.155 -0.396 8.320 1.00 0.00 H new ATOM 0 HG LEU A 472 2.904 -0.896 11.032 1.00 0.00 H new ATOM 0 HD11 LEU A 472 0.816 -0.203 9.838 1.00 0.00 H new ATOM 0 HD12 LEU A 472 2.047 1.081 9.798 1.00 0.00 H new ATOM 0 HD13 LEU A 472 1.768 0.071 8.359 1.00 0.00 H new ATOM 0 HD21 LEU A 472 1.469 -2.572 9.909 1.00 0.00 H new ATOM 0 HD22 LEU A 472 2.420 -2.378 8.418 1.00 0.00 H new ATOM 0 HD23 LEU A 472 3.184 -3.046 9.880 1.00 0.00 H new ATOM 1435 N LYS A 473 6.693 -1.223 7.638 1.00 0.00 N ATOM 1436 CA LYS A 473 7.688 -0.650 6.721 1.00 0.00 C ATOM 1437 C LYS A 473 6.969 -0.063 5.490 1.00 0.00 C ATOM 1438 O LYS A 473 5.939 -0.589 5.072 1.00 0.00 O ATOM 1439 CB LYS A 473 8.719 -1.741 6.362 1.00 0.00 C ATOM 1440 CG LYS A 473 9.847 -1.261 5.430 1.00 0.00 C ATOM 1441 CD LYS A 473 10.867 -2.357 5.089 1.00 0.00 C ATOM 1442 CE LYS A 473 10.266 -3.463 4.204 1.00 0.00 C ATOM 1443 NZ LYS A 473 11.296 -4.447 3.776 1.00 0.00 N ATOM 0 H LYS A 473 6.002 -1.800 7.158 1.00 0.00 H new ATOM 0 HA LYS A 473 8.233 0.171 7.187 1.00 0.00 H new ATOM 0 HB2 LYS A 473 9.161 -2.124 7.282 1.00 0.00 H new ATOM 0 HB3 LYS A 473 8.200 -2.573 5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 473 9.409 -0.884 4.506 1.00 0.00 H new ATOM 0 HG3 LYS A 473 10.366 -0.426 5.901 1.00 0.00 H new ATOM 0 HD2 LYS A 473 11.720 -1.910 4.578 1.00 0.00 H new ATOM 0 HD3 LYS A 473 11.244 -2.798 6.012 1.00 0.00 H new ATOM 0 HE2 LYS A 473 9.476 -3.978 4.751 1.00 0.00 H new ATOM 0 HE3 LYS A 473 9.804 -3.014 3.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 10.853 -5.177 3.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 12.037 -3.960 3.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 11.719 -4.894 4.615 1.00 0.00 H new ATOM 1457 N VAL A 474 7.496 1.013 4.904 1.00 0.00 N ATOM 1458 CA VAL A 474 6.945 1.668 3.706 1.00 0.00 C ATOM 1459 C VAL A 474 8.092 2.073 2.775 1.00 0.00 C ATOM 1460 O VAL A 474 9.108 2.585 3.245 1.00 0.00 O ATOM 1461 CB VAL A 474 6.098 2.915 4.066 1.00 0.00 C ATOM 1462 CG1 VAL A 474 5.421 3.471 2.809 1.00 0.00 C ATOM 1463 CG2 VAL A 474 5.017 2.622 5.118 1.00 0.00 C ATOM 0 H VAL A 474 8.339 1.468 5.254 1.00 0.00 H new ATOM 0 HA VAL A 474 6.288 0.956 3.206 1.00 0.00 H new ATOM 0 HB VAL A 474 6.788 3.644 4.490 1.00 0.00 H new ATOM 0 HG11 VAL A 474 4.828 4.347 3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 474 6.181 3.753 2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 474 4.771 2.709 2.379 1.00 0.00 H new ATOM 0 HG21 VAL A 474 4.457 3.533 5.328 1.00 0.00 H new ATOM 0 HG22 VAL A 474 4.338 1.859 4.739 1.00 0.00 H new ATOM 0 HG23 VAL A 474 5.488 2.266 6.034 1.00 0.00 H new ATOM 1473 N GLN A 475 7.931 1.864 1.465 1.00 0.00 N ATOM 1474 CA GLN A 475 8.904 2.254 0.435 1.00 0.00 C ATOM 1475 C GLN A 475 8.200 2.771 -0.825 1.00 0.00 C ATOM 1476 O GLN A 475 7.030 2.475 -1.067 1.00 0.00 O ATOM 1477 CB GLN A 475 9.792 1.056 0.039 1.00 0.00 C ATOM 1478 CG GLN A 475 10.632 0.492 1.194 1.00 0.00 C ATOM 1479 CD GLN A 475 11.593 -0.612 0.740 1.00 0.00 C ATOM 1480 OE1 GLN A 475 12.807 -0.503 0.868 1.00 0.00 O ATOM 1481 NE2 GLN A 475 11.112 -1.713 0.195 1.00 0.00 N ATOM 0 H GLN A 475 7.103 1.409 1.081 1.00 0.00 H new ATOM 0 HA GLN A 475 9.519 3.047 0.860 1.00 0.00 H new ATOM 0 HB2 GLN A 475 9.158 0.262 -0.357 1.00 0.00 H new ATOM 0 HB3 GLN A 475 10.460 1.362 -0.766 1.00 0.00 H new ATOM 0 HG2 GLN A 475 11.203 1.300 1.651 1.00 0.00 H new ATOM 0 HG3 GLN A 475 9.967 0.097 1.962 1.00 0.00 H new ATOM 0 HE21 GLN A 475 10.105 -1.826 0.078 1.00 0.00 H new ATOM 0 HE22 GLN A 475 11.747 -2.451 -0.109 1.00 0.00 H new ATOM 1490 N LEU A 476 8.939 3.515 -1.653 1.00 0.00 N ATOM 1491 CA LEU A 476 8.511 3.881 -3.011 1.00 0.00 C ATOM 1492 C LEU A 476 8.495 2.653 -3.939 1.00 0.00 C ATOM 1493 O LEU A 476 9.207 1.669 -3.723 1.00 0.00 O ATOM 1494 CB LEU A 476 9.449 4.959 -3.597 1.00 0.00 C ATOM 1495 CG LEU A 476 9.331 6.368 -2.985 1.00 0.00 C ATOM 1496 CD1 LEU A 476 10.365 7.288 -3.646 1.00 0.00 C ATOM 1497 CD2 LEU A 476 7.939 6.976 -3.201 1.00 0.00 C ATOM 0 H LEU A 476 9.856 3.883 -1.401 1.00 0.00 H new ATOM 0 HA LEU A 476 7.498 4.279 -2.944 1.00 0.00 H new ATOM 0 HB2 LEU A 476 10.478 4.619 -3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 476 9.259 5.033 -4.668 1.00 0.00 H new ATOM 0 HG LEU A 476 9.504 6.278 -1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 476 10.288 8.288 -3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 476 11.366 6.894 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 476 10.176 7.336 -4.718 1.00 0.00 H new ATOM 0 HD21 LEU A 476 7.902 7.969 -2.753 1.00 0.00 H new ATOM 0 HD22 LEU A 476 7.737 7.052 -4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 476 7.187 6.339 -2.734 1.00 0.00 H new ATOM 1509 N LYS A 477 7.718 2.741 -5.024 1.00 0.00 N ATOM 1510 CA LYS A 477 7.685 1.749 -6.108 1.00 0.00 C ATOM 1511 C LYS A 477 9.091 1.455 -6.678 1.00 0.00 C ATOM 1512 O LYS A 477 9.792 2.364 -7.135 1.00 0.00 O ATOM 1513 CB LYS A 477 6.696 2.249 -7.178 1.00 0.00 C ATOM 1514 CG LYS A 477 6.597 1.309 -8.392 1.00 0.00 C ATOM 1515 CD LYS A 477 5.472 1.754 -9.332 1.00 0.00 C ATOM 1516 CE LYS A 477 5.341 0.771 -10.503 1.00 0.00 C ATOM 1517 NZ LYS A 477 4.422 1.293 -11.543 1.00 0.00 N ATOM 0 H LYS A 477 7.079 3.521 -5.178 1.00 0.00 H new ATOM 0 HA LYS A 477 7.341 0.790 -5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 477 5.709 2.359 -6.729 1.00 0.00 H new ATOM 0 HB3 LYS A 477 7.004 3.238 -7.516 1.00 0.00 H new ATOM 0 HG2 LYS A 477 7.545 1.301 -8.930 1.00 0.00 H new ATOM 0 HG3 LYS A 477 6.413 0.289 -8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 477 4.531 1.807 -8.785 1.00 0.00 H new ATOM 0 HD3 LYS A 477 5.678 2.756 -9.710 1.00 0.00 H new ATOM 0 HE2 LYS A 477 6.323 0.589 -10.940 1.00 0.00 H new ATOM 0 HE3 LYS A 477 4.973 -0.187 -10.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 3.894 0.504 -11.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 3.755 1.964 -11.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 4.972 1.778 -12.281 1.00 0.00 H new