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 451 ASN : amide:sc= 1.39 K(o=1.4,f=-8.4!) USER MOD Set 1.2: A 454 SER OG : rot 180:sc= 0.0162 USER MOD Set 2.1: A 402 ASN : amide:sc= 1.01 K(o=1.2,f=-4.2!) USER MOD Set 2.2: A 448 SER OG : rot 94:sc= 0.242 USER MOD Single : A 393 SER OG : rot 130:sc= 0.0169 USER MOD Single : A 394 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 395 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 406 TYR OH : rot 180:sc= 0 USER MOD Single : A 407 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 410 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 415 GLN : amide:sc= 0.0377 K(o=0.038,f=-3.3!) USER MOD Single : A 419 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 420 MET CE :methyl 171:sc= 0 (180deg=-0.0738) USER MOD Single : A 422 MET CE :methyl -179:sc= -0.141 (180deg=-0.142) USER MOD Single : A 426 ASN : amide:sc=-0.00274 K(o=-0.0027,f=-0.79) USER MOD Single : A 429 SER OG : rot 172:sc= 0.0902 USER MOD Single : A 431 LYS NZ :NH3+ -119:sc= 0.773 (180deg=0.722) USER MOD Single : A 442 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0284) USER MOD Single : A 443 CYS SG : rot 180:sc= 0 USER MOD Single : A 449 TYR OH : rot -157:sc= 1.03 USER MOD Single : A 456 GLN : amide:sc= -0.0196 X(o=-0.02,f=-0.47) USER MOD Single : A 460 GLN : amide:sc= 0.317 X(o=0.32,f=0) USER MOD Single : A 461 SER OG : rot 89:sc= 1.08 USER MOD Single : A 462 MET CE :methyl -159:sc=-0.00563 (180deg=-0.548) USER MOD Single : A 463 ASN : amide:sc= 0.826 K(o=0.83,f=-6.5!) USER MOD Single : A 466 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 GLN : amide:sc= 0.239 K(o=0.24,f=-6.2!) USER MOD Single : A 477 LYS NZ :NH3+ 169:sc= 1.13 (180deg=1.02) USER MOD ----------------------------------------------------------------- ATOM 182 N ALA A 391 -10.042 2.214 -2.162 1.00 0.00 N ATOM 183 CA ALA A 391 -9.962 0.867 -1.594 1.00 0.00 C ATOM 184 C ALA A 391 -10.525 -0.170 -2.579 1.00 0.00 C ATOM 185 O ALA A 391 -11.688 -0.098 -2.980 1.00 0.00 O ATOM 186 CB ALA A 391 -10.724 0.850 -0.262 1.00 0.00 C ATOM 0 HA ALA A 391 -8.921 0.601 -1.411 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -10.673 -0.148 0.174 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -10.274 1.568 0.424 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -11.766 1.117 -0.436 1.00 0.00 H new ATOM 192 N GLY A 392 -9.682 -1.127 -2.975 1.00 0.00 N ATOM 193 CA GLY A 392 -10.002 -2.154 -3.970 1.00 0.00 C ATOM 194 C GLY A 392 -9.588 -1.772 -5.390 1.00 0.00 C ATOM 195 O GLY A 392 -9.753 -2.575 -6.306 1.00 0.00 O ATOM 0 H GLY A 392 -8.736 -1.211 -2.604 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -9.507 -3.085 -3.693 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -11.075 -2.346 -3.951 1.00 0.00 H new ATOM 199 N SER A 393 -9.045 -0.571 -5.585 1.00 0.00 N ATOM 200 CA SER A 393 -8.507 -0.129 -6.873 1.00 0.00 C ATOM 201 C SER A 393 -7.121 -0.738 -7.162 1.00 0.00 C ATOM 202 O SER A 393 -6.449 -1.270 -6.275 1.00 0.00 O ATOM 203 CB SER A 393 -8.443 1.404 -6.903 1.00 0.00 C ATOM 204 OG SER A 393 -8.268 1.870 -8.235 1.00 0.00 O ATOM 0 H SER A 393 -8.965 0.129 -4.848 1.00 0.00 H new ATOM 0 HA SER A 393 -9.176 -0.481 -7.658 1.00 0.00 H new ATOM 0 HB2 SER A 393 -9.359 1.820 -6.483 1.00 0.00 H new ATOM 0 HB3 SER A 393 -7.620 1.752 -6.279 1.00 0.00 H new ATOM 0 HG SER A 393 -8.932 2.564 -8.429 1.00 0.00 H new ATOM 210 N GLN A 394 -6.678 -0.639 -8.418 1.00 0.00 N ATOM 211 CA GLN A 394 -5.318 -0.970 -8.860 1.00 0.00 C ATOM 212 C GLN A 394 -4.758 0.134 -9.786 1.00 0.00 C ATOM 213 O GLN A 394 -3.849 -0.097 -10.585 1.00 0.00 O ATOM 214 CB GLN A 394 -5.276 -2.384 -9.471 1.00 0.00 C ATOM 215 CG GLN A 394 -5.535 -3.488 -8.427 1.00 0.00 C ATOM 216 CD GLN A 394 -5.257 -4.893 -8.971 1.00 0.00 C ATOM 217 OE1 GLN A 394 -5.556 -5.230 -10.111 1.00 0.00 O ATOM 218 NE2 GLN A 394 -4.661 -5.770 -8.187 1.00 0.00 N ATOM 0 H GLN A 394 -7.274 -0.316 -9.180 1.00 0.00 H new ATOM 0 HA GLN A 394 -4.651 -0.997 -7.998 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -6.021 -2.456 -10.263 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -4.303 -2.547 -9.933 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -4.908 -3.310 -7.553 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -6.571 -3.431 -8.093 1.00 0.00 H new ATOM 0 HE21 GLN A 394 -4.403 -5.511 -7.235 1.00 0.00 H new ATOM 0 HE22 GLN A 394 -4.458 -6.708 -8.533 1.00 0.00 H new ATOM 227 N LYS A 395 -5.299 1.355 -9.672 1.00 0.00 N ATOM 228 CA LYS A 395 -4.751 2.577 -10.276 1.00 0.00 C ATOM 229 C LYS A 395 -3.386 2.954 -9.665 1.00 0.00 C ATOM 230 O LYS A 395 -2.965 2.385 -8.657 1.00 0.00 O ATOM 231 CB LYS A 395 -5.740 3.724 -10.006 1.00 0.00 C ATOM 232 CG LYS A 395 -7.012 3.690 -10.862 1.00 0.00 C ATOM 233 CD LYS A 395 -8.025 4.742 -10.377 1.00 0.00 C ATOM 234 CE LYS A 395 -7.404 6.145 -10.274 1.00 0.00 C ATOM 235 NZ LYS A 395 -8.405 7.153 -9.831 1.00 0.00 N ATOM 0 H LYS A 395 -6.154 1.524 -9.142 1.00 0.00 H new ATOM 0 HA LYS A 395 -4.609 2.405 -11.343 1.00 0.00 H new ATOM 0 HB2 LYS A 395 -6.026 3.699 -8.954 1.00 0.00 H new ATOM 0 HB3 LYS A 395 -5.230 4.672 -10.175 1.00 0.00 H new ATOM 0 HG2 LYS A 395 -6.759 3.877 -11.906 1.00 0.00 H new ATOM 0 HG3 LYS A 395 -7.461 2.698 -10.815 1.00 0.00 H new ATOM 0 HD2 LYS A 395 -8.872 4.771 -11.063 1.00 0.00 H new ATOM 0 HD3 LYS A 395 -8.414 4.447 -9.403 1.00 0.00 H new ATOM 0 HE2 LYS A 395 -6.571 6.125 -9.571 1.00 0.00 H new ATOM 0 HE3 LYS A 395 -6.997 6.436 -11.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 -7.953 8.088 -9.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 -9.188 7.189 -10.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 -8.775 6.887 -8.896 1.00 0.00 H new ATOM 249 N GLU A 396 -2.736 3.988 -10.209 1.00 0.00 N ATOM 250 CA GLU A 396 -1.565 4.622 -9.604 1.00 0.00 C ATOM 251 C GLU A 396 -1.373 6.072 -10.077 1.00 0.00 C ATOM 252 O GLU A 396 -1.939 6.489 -11.091 1.00 0.00 O ATOM 253 CB GLU A 396 -0.303 3.762 -9.814 1.00 0.00 C ATOM 254 CG GLU A 396 0.186 3.721 -11.268 1.00 0.00 C ATOM 255 CD GLU A 396 1.283 2.664 -11.442 1.00 0.00 C ATOM 256 OE1 GLU A 396 2.468 2.947 -11.153 1.00 0.00 O ATOM 257 OE2 GLU A 396 0.974 1.526 -11.864 1.00 0.00 O ATOM 0 H GLU A 396 -3.014 4.412 -11.094 1.00 0.00 H new ATOM 0 HA GLU A 396 -1.744 4.682 -8.530 1.00 0.00 H new ATOM 0 HB2 GLU A 396 0.497 4.148 -9.183 1.00 0.00 H new ATOM 0 HB3 GLU A 396 -0.509 2.745 -9.481 1.00 0.00 H new ATOM 0 HG2 GLU A 396 -0.649 3.498 -11.932 1.00 0.00 H new ATOM 0 HG3 GLU A 396 0.569 4.700 -11.556 1.00 0.00 H new ATOM 264 N GLY A 397 -0.588 6.838 -9.315 1.00 0.00 N ATOM 265 CA GLY A 397 -0.269 8.249 -9.553 1.00 0.00 C ATOM 266 C GLY A 397 1.101 8.461 -10.223 1.00 0.00 C ATOM 267 O GLY A 397 1.657 7.515 -10.795 1.00 0.00 O ATOM 0 H GLY A 397 -0.136 6.475 -8.476 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -1.044 8.688 -10.181 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -0.287 8.783 -8.603 1.00 0.00 H new ATOM 271 N PRO A 398 1.648 9.695 -10.177 1.00 0.00 N ATOM 272 CA PRO A 398 2.921 10.045 -10.811 1.00 0.00 C ATOM 273 C PRO A 398 4.129 9.439 -10.076 1.00 0.00 C ATOM 274 O PRO A 398 3.997 8.864 -8.995 1.00 0.00 O ATOM 275 CB PRO A 398 2.951 11.578 -10.821 1.00 0.00 C ATOM 276 CG PRO A 398 2.130 11.957 -9.591 1.00 0.00 C ATOM 277 CD PRO A 398 1.053 10.874 -9.555 1.00 0.00 C ATOM 0 HA PRO A 398 2.993 9.636 -11.819 1.00 0.00 H new ATOM 0 HB2 PRO A 398 3.970 11.960 -10.757 1.00 0.00 H new ATOM 0 HB3 PRO A 398 2.516 11.982 -11.735 1.00 0.00 H new ATOM 0 HG2 PRO A 398 2.735 11.955 -8.685 1.00 0.00 H new ATOM 0 HG3 PRO A 398 1.698 12.954 -9.684 1.00 0.00 H new ATOM 0 HD2 PRO A 398 0.747 10.662 -8.531 1.00 0.00 H new ATOM 0 HD3 PRO A 398 0.161 11.192 -10.095 1.00 0.00 H new ATOM 285 N GLU A 399 5.324 9.577 -10.661 1.00 0.00 N ATOM 286 CA GLU A 399 6.575 9.093 -10.064 1.00 0.00 C ATOM 287 C GLU A 399 6.821 9.731 -8.683 1.00 0.00 C ATOM 288 O GLU A 399 6.760 10.952 -8.517 1.00 0.00 O ATOM 289 CB GLU A 399 7.752 9.343 -11.023 1.00 0.00 C ATOM 290 CG GLU A 399 9.070 8.777 -10.470 1.00 0.00 C ATOM 291 CD GLU A 399 10.206 8.844 -11.500 1.00 0.00 C ATOM 292 OE1 GLU A 399 10.551 9.956 -11.967 1.00 0.00 O ATOM 293 OE2 GLU A 399 10.787 7.781 -11.821 1.00 0.00 O ATOM 0 H GLU A 399 5.452 10.030 -11.566 1.00 0.00 H new ATOM 0 HA GLU A 399 6.489 8.018 -9.905 1.00 0.00 H new ATOM 0 HB2 GLU A 399 7.537 8.886 -11.989 1.00 0.00 H new ATOM 0 HB3 GLU A 399 7.860 10.414 -11.194 1.00 0.00 H new ATOM 0 HG2 GLU A 399 9.357 9.334 -9.578 1.00 0.00 H new ATOM 0 HG3 GLU A 399 8.919 7.742 -10.164 1.00 0.00 H new ATOM 300 N GLY A 400 7.082 8.880 -7.683 1.00 0.00 N ATOM 301 CA GLY A 400 7.278 9.270 -6.279 1.00 0.00 C ATOM 302 C GLY A 400 5.995 9.250 -5.443 1.00 0.00 C ATOM 303 O GLY A 400 6.071 9.362 -4.221 1.00 0.00 O ATOM 0 H GLY A 400 7.165 7.874 -7.831 1.00 0.00 H new ATOM 0 HA2 GLY A 400 8.006 8.599 -5.824 1.00 0.00 H new ATOM 0 HA3 GLY A 400 7.705 10.272 -6.247 1.00 0.00 H new ATOM 307 N ALA A 401 4.822 9.098 -6.071 1.00 0.00 N ATOM 308 CA ALA A 401 3.519 9.077 -5.397 1.00 0.00 C ATOM 309 C ALA A 401 3.014 7.665 -5.041 1.00 0.00 C ATOM 310 O ALA A 401 1.979 7.538 -4.385 1.00 0.00 O ATOM 311 CB ALA A 401 2.514 9.818 -6.284 1.00 0.00 C ATOM 0 H ALA A 401 4.752 8.984 -7.082 1.00 0.00 H new ATOM 0 HA ALA A 401 3.633 9.575 -4.434 1.00 0.00 H new ATOM 0 HB1 ALA A 401 1.535 9.817 -5.804 1.00 0.00 H new ATOM 0 HB2 ALA A 401 2.846 10.846 -6.429 1.00 0.00 H new ATOM 0 HB3 ALA A 401 2.445 9.319 -7.251 1.00 0.00 H new ATOM 317 N ASN A 402 3.722 6.612 -5.468 1.00 0.00 N ATOM 318 CA ASN A 402 3.257 5.220 -5.403 1.00 0.00 C ATOM 319 C ASN A 402 4.094 4.418 -4.393 1.00 0.00 C ATOM 320 O ASN A 402 5.323 4.371 -4.493 1.00 0.00 O ATOM 321 CB ASN A 402 3.293 4.611 -6.817 1.00 0.00 C ATOM 322 CG ASN A 402 2.629 5.513 -7.863 1.00 0.00 C ATOM 323 OD1 ASN A 402 1.640 6.189 -7.613 1.00 0.00 O ATOM 324 ND2 ASN A 402 3.178 5.585 -9.059 1.00 0.00 N ATOM 0 H ASN A 402 4.652 6.705 -5.876 1.00 0.00 H new ATOM 0 HA ASN A 402 2.227 5.185 -5.047 1.00 0.00 H new ATOM 0 HB2 ASN A 402 4.329 4.429 -7.104 1.00 0.00 H new ATOM 0 HB3 ASN A 402 2.791 3.644 -6.805 1.00 0.00 H new ATOM 0 HD21 ASN A 402 2.778 6.201 -9.767 1.00 0.00 H new ATOM 0 HD22 ASN A 402 4.003 5.025 -9.276 1.00 0.00 H new ATOM 331 N LEU A 403 3.422 3.807 -3.412 1.00 0.00 N ATOM 332 CA LEU A 403 3.993 3.192 -2.212 1.00 0.00 C ATOM 333 C LEU A 403 3.592 1.721 -2.058 1.00 0.00 C ATOM 334 O LEU A 403 2.434 1.362 -2.282 1.00 0.00 O ATOM 335 CB LEU A 403 3.477 3.918 -0.947 1.00 0.00 C ATOM 336 CG LEU A 403 3.519 5.455 -0.912 1.00 0.00 C ATOM 337 CD1 LEU A 403 3.096 5.931 0.483 1.00 0.00 C ATOM 338 CD2 LEU A 403 4.912 5.986 -1.241 1.00 0.00 C ATOM 0 H LEU A 403 2.406 3.724 -3.437 1.00 0.00 H new ATOM 0 HA LEU A 403 5.075 3.270 -2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 403 2.443 3.611 -0.788 1.00 0.00 H new ATOM 0 HB3 LEU A 403 4.053 3.552 -0.097 1.00 0.00 H new ATOM 0 HG LEU A 403 2.833 5.839 -1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 403 3.122 7.020 0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 403 2.084 5.585 0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 403 3.781 5.527 1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 403 4.904 7.075 -1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 403 5.628 5.606 -0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 403 5.201 5.657 -2.239 1.00 0.00 H new ATOM 350 N PHE A 404 4.527 0.910 -1.563 1.00 0.00 N ATOM 351 CA PHE A 404 4.302 -0.457 -1.096 1.00 0.00 C ATOM 352 C PHE A 404 4.522 -0.511 0.421 1.00 0.00 C ATOM 353 O PHE A 404 5.476 0.066 0.949 1.00 0.00 O ATOM 354 CB PHE A 404 5.212 -1.438 -1.839 1.00 0.00 C ATOM 355 CG PHE A 404 4.756 -1.734 -3.253 1.00 0.00 C ATOM 356 CD1 PHE A 404 5.136 -0.890 -4.313 1.00 0.00 C ATOM 357 CD2 PHE A 404 3.921 -2.841 -3.504 1.00 0.00 C ATOM 358 CE1 PHE A 404 4.686 -1.156 -5.618 1.00 0.00 C ATOM 359 CE2 PHE A 404 3.481 -3.112 -4.812 1.00 0.00 C ATOM 360 CZ PHE A 404 3.865 -2.269 -5.870 1.00 0.00 C ATOM 0 H PHE A 404 5.501 1.200 -1.473 1.00 0.00 H new ATOM 0 HA PHE A 404 3.275 -0.755 -1.308 1.00 0.00 H new ATOM 0 HB2 PHE A 404 6.223 -1.031 -1.869 1.00 0.00 H new ATOM 0 HB3 PHE A 404 5.261 -2.372 -1.279 1.00 0.00 H new ATOM 0 HD1 PHE A 404 5.773 -0.038 -4.124 1.00 0.00 H new ATOM 0 HD2 PHE A 404 3.618 -3.483 -2.690 1.00 0.00 H new ATOM 0 HE1 PHE A 404 4.972 -0.503 -6.430 1.00 0.00 H new ATOM 0 HE2 PHE A 404 2.849 -3.967 -5.004 1.00 0.00 H new ATOM 0 HZ PHE A 404 3.529 -2.476 -6.875 1.00 0.00 H new ATOM 370 N ILE A 405 3.596 -1.170 1.118 1.00 0.00 N ATOM 371 CA ILE A 405 3.473 -1.211 2.582 1.00 0.00 C ATOM 372 C ILE A 405 3.599 -2.673 3.020 1.00 0.00 C ATOM 373 O ILE A 405 2.959 -3.544 2.437 1.00 0.00 O ATOM 374 CB ILE A 405 2.108 -0.622 3.035 1.00 0.00 C ATOM 375 CG1 ILE A 405 1.869 0.878 2.737 1.00 0.00 C ATOM 376 CG2 ILE A 405 1.949 -0.776 4.561 1.00 0.00 C ATOM 377 CD1 ILE A 405 1.786 1.314 1.274 1.00 0.00 C ATOM 0 H ILE A 405 2.872 -1.720 0.656 1.00 0.00 H new ATOM 0 HA ILE A 405 4.256 -0.609 3.042 1.00 0.00 H new ATOM 0 HB ILE A 405 1.387 -1.191 2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 405 0.940 1.172 3.226 1.00 0.00 H new ATOM 0 HG13 ILE A 405 2.672 1.444 3.209 1.00 0.00 H new ATOM 0 HG21 ILE A 405 0.990 -0.361 4.871 1.00 0.00 H new ATOM 0 HG22 ILE A 405 1.990 -1.832 4.826 1.00 0.00 H new ATOM 0 HG23 ILE A 405 2.755 -0.244 5.066 1.00 0.00 H new ATOM 0 HD11 ILE A 405 1.616 2.390 1.224 1.00 0.00 H new ATOM 0 HD12 ILE A 405 2.720 1.070 0.768 1.00 0.00 H new ATOM 0 HD13 ILE A 405 0.962 0.794 0.785 1.00 0.00 H new ATOM 389 N TYR A 406 4.392 -2.947 4.053 1.00 0.00 N ATOM 390 CA TYR A 406 4.721 -4.299 4.524 1.00 0.00 C ATOM 391 C TYR A 406 4.577 -4.448 6.050 1.00 0.00 C ATOM 392 O TYR A 406 4.622 -3.467 6.797 1.00 0.00 O ATOM 393 CB TYR A 406 6.153 -4.657 4.093 1.00 0.00 C ATOM 394 CG TYR A 406 6.464 -4.495 2.616 1.00 0.00 C ATOM 395 CD1 TYR A 406 6.939 -3.262 2.124 1.00 0.00 C ATOM 396 CD2 TYR A 406 6.312 -5.587 1.738 1.00 0.00 C ATOM 397 CE1 TYR A 406 7.260 -3.119 0.761 1.00 0.00 C ATOM 398 CE2 TYR A 406 6.630 -5.450 0.374 1.00 0.00 C ATOM 399 CZ TYR A 406 7.111 -4.215 -0.119 1.00 0.00 C ATOM 400 OH TYR A 406 7.436 -4.078 -1.435 1.00 0.00 O ATOM 0 H TYR A 406 4.839 -2.215 4.605 1.00 0.00 H new ATOM 0 HA TYR A 406 4.007 -4.986 4.070 1.00 0.00 H new ATOM 0 HB2 TYR A 406 6.847 -4.037 4.660 1.00 0.00 H new ATOM 0 HB3 TYR A 406 6.347 -5.692 4.373 1.00 0.00 H new ATOM 0 HD1 TYR A 406 7.057 -2.424 2.795 1.00 0.00 H new ATOM 0 HD2 TYR A 406 5.950 -6.533 2.114 1.00 0.00 H new ATOM 0 HE1 TYR A 406 7.620 -2.172 0.388 1.00 0.00 H new ATOM 0 HE2 TYR A 406 6.507 -6.288 -0.296 1.00 0.00 H new ATOM 0 HH TYR A 406 7.276 -4.925 -1.901 1.00 0.00 H new ATOM 410 N HIS A 407 4.417 -5.697 6.500 1.00 0.00 N ATOM 411 CA HIS A 407 4.251 -6.135 7.897 1.00 0.00 C ATOM 412 C HIS A 407 2.875 -5.769 8.506 1.00 0.00 C ATOM 413 O HIS A 407 2.745 -5.611 9.721 1.00 0.00 O ATOM 414 CB HIS A 407 5.450 -5.707 8.763 1.00 0.00 C ATOM 415 CG HIS A 407 6.775 -6.176 8.232 1.00 0.00 C ATOM 416 ND1 HIS A 407 7.205 -7.505 8.178 1.00 0.00 N ATOM 417 CD2 HIS A 407 7.753 -5.372 7.732 1.00 0.00 C ATOM 418 CE1 HIS A 407 8.439 -7.461 7.647 1.00 0.00 C ATOM 419 NE2 HIS A 407 8.797 -6.194 7.371 1.00 0.00 N ATOM 0 H HIS A 407 4.398 -6.487 5.855 1.00 0.00 H new ATOM 0 HA HIS A 407 4.247 -7.225 7.887 1.00 0.00 H new ATOM 0 HB2 HIS A 407 5.463 -4.620 8.839 1.00 0.00 H new ATOM 0 HB3 HIS A 407 5.315 -6.095 9.773 1.00 0.00 H new ATOM 0 HD2 HIS A 407 7.717 -4.297 7.637 1.00 0.00 H new ATOM 0 HE1 HIS A 407 9.060 -8.326 7.466 1.00 0.00 H new ATOM 0 HE2 HIS A 407 9.684 -5.895 6.966 1.00 0.00 H new ATOM 427 N LEU A 408 1.837 -5.645 7.668 1.00 0.00 N ATOM 428 CA LEU A 408 0.459 -5.320 8.073 1.00 0.00 C ATOM 429 C LEU A 408 -0.162 -6.436 8.941 1.00 0.00 C ATOM 430 O LEU A 408 0.328 -7.570 8.918 1.00 0.00 O ATOM 431 CB LEU A 408 -0.402 -5.081 6.810 1.00 0.00 C ATOM 432 CG LEU A 408 -0.077 -3.791 6.030 1.00 0.00 C ATOM 433 CD1 LEU A 408 -0.760 -3.836 4.655 1.00 0.00 C ATOM 434 CD2 LEU A 408 -0.554 -2.544 6.792 1.00 0.00 C ATOM 0 H LEU A 408 1.934 -5.771 6.660 1.00 0.00 H new ATOM 0 HA LEU A 408 0.485 -4.415 8.680 1.00 0.00 H new ATOM 0 HB2 LEU A 408 -0.280 -5.932 6.140 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -1.451 -5.054 7.104 1.00 0.00 H new ATOM 0 HG LEU A 408 1.005 -3.730 5.911 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -0.530 -2.924 4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 408 -0.397 -4.699 4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 408 -1.839 -3.918 4.787 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -0.311 -1.651 6.217 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -1.633 -2.598 6.939 1.00 0.00 H new ATOM 0 HD23 LEU A 408 -0.057 -2.498 7.761 1.00 0.00 H new ATOM 446 N PRO A 409 -1.236 -6.154 9.703 1.00 0.00 N ATOM 447 CA PRO A 409 -2.030 -7.185 10.370 1.00 0.00 C ATOM 448 C PRO A 409 -2.683 -8.123 9.342 1.00 0.00 C ATOM 449 O PRO A 409 -3.031 -7.697 8.241 1.00 0.00 O ATOM 450 CB PRO A 409 -3.078 -6.429 11.198 1.00 0.00 C ATOM 451 CG PRO A 409 -2.467 -5.041 11.376 1.00 0.00 C ATOM 452 CD PRO A 409 -1.726 -4.832 10.061 1.00 0.00 C ATOM 0 HA PRO A 409 -1.417 -7.823 11.006 1.00 0.00 H new ATOM 0 HB2 PRO A 409 -4.037 -6.381 10.682 1.00 0.00 H new ATOM 0 HB3 PRO A 409 -3.256 -6.914 12.158 1.00 0.00 H new ATOM 0 HG2 PRO A 409 -3.230 -4.280 11.536 1.00 0.00 H new ATOM 0 HG3 PRO A 409 -1.793 -5.002 12.232 1.00 0.00 H new ATOM 0 HD2 PRO A 409 -2.387 -4.433 9.292 1.00 0.00 H new ATOM 0 HD3 PRO A 409 -0.906 -4.123 10.176 1.00 0.00 H new ATOM 460 N GLN A 410 -2.887 -9.395 9.702 1.00 0.00 N ATOM 461 CA GLN A 410 -3.538 -10.385 8.825 1.00 0.00 C ATOM 462 C GLN A 410 -5.032 -10.077 8.588 1.00 0.00 C ATOM 463 O GLN A 410 -5.615 -10.538 7.606 1.00 0.00 O ATOM 464 CB GLN A 410 -3.330 -11.784 9.437 1.00 0.00 C ATOM 465 CG GLN A 410 -3.943 -12.923 8.606 1.00 0.00 C ATOM 466 CD GLN A 410 -3.567 -14.299 9.162 1.00 0.00 C ATOM 467 OE1 GLN A 410 -2.513 -14.853 8.874 1.00 0.00 O ATOM 468 NE2 GLN A 410 -4.402 -14.902 9.985 1.00 0.00 N ATOM 0 H GLN A 410 -2.607 -9.771 10.608 1.00 0.00 H new ATOM 0 HA GLN A 410 -3.078 -10.342 7.838 1.00 0.00 H new ATOM 0 HB2 GLN A 410 -2.261 -11.965 9.551 1.00 0.00 H new ATOM 0 HB3 GLN A 410 -3.765 -11.801 10.436 1.00 0.00 H new ATOM 0 HG2 GLN A 410 -5.028 -12.820 8.593 1.00 0.00 H new ATOM 0 HG3 GLN A 410 -3.603 -12.843 7.573 1.00 0.00 H new ATOM 0 HE21 GLN A 410 -5.284 -14.455 10.235 1.00 0.00 H new ATOM 0 HE22 GLN A 410 -4.166 -15.816 10.372 1.00 0.00 H new ATOM 477 N GLU A 411 -5.654 -9.282 9.465 1.00 0.00 N ATOM 478 CA GLU A 411 -7.079 -8.931 9.408 1.00 0.00 C ATOM 479 C GLU A 411 -7.396 -7.677 8.568 1.00 0.00 C ATOM 480 O GLU A 411 -8.564 -7.401 8.284 1.00 0.00 O ATOM 481 CB GLU A 411 -7.615 -8.776 10.840 1.00 0.00 C ATOM 482 CG GLU A 411 -7.035 -7.584 11.617 1.00 0.00 C ATOM 483 CD GLU A 411 -7.591 -7.549 13.048 1.00 0.00 C ATOM 484 OE1 GLU A 411 -8.652 -6.922 13.277 1.00 0.00 O ATOM 485 OE2 GLU A 411 -6.968 -8.150 13.957 1.00 0.00 O ATOM 0 H GLU A 411 -5.170 -8.854 10.254 1.00 0.00 H new ATOM 0 HA GLU A 411 -7.583 -9.748 8.892 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -8.699 -8.672 10.798 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -7.403 -9.691 11.394 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -5.948 -7.656 11.645 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -7.280 -6.654 11.103 1.00 0.00 H new ATOM 492 N PHE A 412 -6.370 -6.913 8.176 1.00 0.00 N ATOM 493 CA PHE A 412 -6.503 -5.686 7.382 1.00 0.00 C ATOM 494 C PHE A 412 -6.993 -5.977 5.957 1.00 0.00 C ATOM 495 O PHE A 412 -6.407 -6.797 5.246 1.00 0.00 O ATOM 496 CB PHE A 412 -5.159 -4.929 7.340 1.00 0.00 C ATOM 497 CG PHE A 412 -5.054 -3.738 8.274 1.00 0.00 C ATOM 498 CD1 PHE A 412 -5.448 -3.843 9.623 1.00 0.00 C ATOM 499 CD2 PHE A 412 -4.567 -2.509 7.785 1.00 0.00 C ATOM 500 CE1 PHE A 412 -5.360 -2.726 10.473 1.00 0.00 C ATOM 501 CE2 PHE A 412 -4.484 -1.393 8.636 1.00 0.00 C ATOM 502 CZ PHE A 412 -4.880 -1.501 9.980 1.00 0.00 C ATOM 0 H PHE A 412 -5.402 -7.136 8.407 1.00 0.00 H new ATOM 0 HA PHE A 412 -7.253 -5.061 7.866 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -4.359 -5.629 7.580 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -4.986 -4.586 6.320 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -5.818 -4.783 10.005 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -4.257 -2.424 6.754 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -5.662 -2.810 11.507 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -4.115 -0.451 8.256 1.00 0.00 H new ATOM 0 HZ PHE A 412 -4.815 -0.643 10.633 1.00 0.00 H new ATOM 512 N GLY A 413 -8.040 -5.264 5.529 1.00 0.00 N ATOM 513 CA GLY A 413 -8.525 -5.218 4.147 1.00 0.00 C ATOM 514 C GLY A 413 -8.181 -3.899 3.456 1.00 0.00 C ATOM 515 O GLY A 413 -7.488 -3.042 4.006 1.00 0.00 O ATOM 0 H GLY A 413 -8.592 -4.682 6.159 1.00 0.00 H new ATOM 0 HA2 GLY A 413 -8.091 -6.045 3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 413 -9.606 -5.359 4.139 1.00 0.00 H new ATOM 519 N ASP A 414 -8.695 -3.726 2.237 1.00 0.00 N ATOM 520 CA ASP A 414 -8.434 -2.545 1.400 1.00 0.00 C ATOM 521 C ASP A 414 -8.917 -1.236 2.059 1.00 0.00 C ATOM 522 O ASP A 414 -8.286 -0.190 1.912 1.00 0.00 O ATOM 523 CB ASP A 414 -9.115 -2.723 0.033 1.00 0.00 C ATOM 524 CG ASP A 414 -8.653 -3.959 -0.747 1.00 0.00 C ATOM 525 OD1 ASP A 414 -7.452 -4.299 -0.690 1.00 0.00 O ATOM 526 OD2 ASP A 414 -9.467 -4.582 -1.466 1.00 0.00 O ATOM 0 H ASP A 414 -9.312 -4.408 1.795 1.00 0.00 H new ATOM 0 HA ASP A 414 -7.354 -2.464 1.276 1.00 0.00 H new ATOM 0 HB2 ASP A 414 -10.193 -2.785 0.183 1.00 0.00 H new ATOM 0 HB3 ASP A 414 -8.927 -1.836 -0.571 1.00 0.00 H new ATOM 531 N GLN A 415 -10.014 -1.317 2.818 1.00 0.00 N ATOM 532 CA GLN A 415 -10.616 -0.224 3.583 1.00 0.00 C ATOM 533 C GLN A 415 -9.718 0.208 4.744 1.00 0.00 C ATOM 534 O GLN A 415 -9.513 1.400 4.963 1.00 0.00 O ATOM 535 CB GLN A 415 -11.965 -0.685 4.166 1.00 0.00 C ATOM 536 CG GLN A 415 -13.074 -0.931 3.134 1.00 0.00 C ATOM 537 CD GLN A 415 -12.869 -2.144 2.217 1.00 0.00 C ATOM 538 OE1 GLN A 415 -12.194 -3.116 2.539 1.00 0.00 O ATOM 539 NE2 GLN A 415 -13.425 -2.113 1.027 1.00 0.00 N ATOM 0 H GLN A 415 -10.531 -2.190 2.920 1.00 0.00 H new ATOM 0 HA GLN A 415 -10.751 0.619 2.905 1.00 0.00 H new ATOM 0 HB2 GLN A 415 -11.804 -1.605 4.729 1.00 0.00 H new ATOM 0 HB3 GLN A 415 -12.311 0.066 4.876 1.00 0.00 H new ATOM 0 HG2 GLN A 415 -14.018 -1.055 3.664 1.00 0.00 H new ATOM 0 HG3 GLN A 415 -13.171 -0.041 2.513 1.00 0.00 H new ATOM 0 HE21 GLN A 415 -13.989 -1.310 0.748 1.00 0.00 H new ATOM 0 HE22 GLN A 415 -13.293 -2.892 0.382 1.00 0.00 H new ATOM 548 N ASP A 416 -9.175 -0.760 5.483 1.00 0.00 N ATOM 549 CA ASP A 416 -8.291 -0.519 6.627 1.00 0.00 C ATOM 550 C ASP A 416 -6.976 0.146 6.193 1.00 0.00 C ATOM 551 O ASP A 416 -6.523 1.094 6.837 1.00 0.00 O ATOM 552 CB ASP A 416 -8.004 -1.831 7.369 1.00 0.00 C ATOM 553 CG ASP A 416 -9.281 -2.531 7.848 1.00 0.00 C ATOM 554 OD1 ASP A 416 -9.852 -2.108 8.881 1.00 0.00 O ATOM 555 OD2 ASP A 416 -9.694 -3.515 7.190 1.00 0.00 O ATOM 0 H ASP A 416 -9.339 -1.750 5.302 1.00 0.00 H new ATOM 0 HA ASP A 416 -8.804 0.165 7.303 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -7.451 -2.502 6.712 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -7.363 -1.626 8.227 1.00 0.00 H new ATOM 560 N LEU A 417 -6.401 -0.291 5.064 1.00 0.00 N ATOM 561 CA LEU A 417 -5.221 0.335 4.471 1.00 0.00 C ATOM 562 C LEU A 417 -5.524 1.747 3.947 1.00 0.00 C ATOM 563 O LEU A 417 -4.712 2.649 4.145 1.00 0.00 O ATOM 564 CB LEU A 417 -4.661 -0.584 3.372 1.00 0.00 C ATOM 565 CG LEU A 417 -3.284 -0.137 2.836 1.00 0.00 C ATOM 566 CD1 LEU A 417 -2.209 -0.209 3.930 1.00 0.00 C ATOM 567 CD2 LEU A 417 -2.873 -1.021 1.652 1.00 0.00 C ATOM 0 H LEU A 417 -6.747 -1.093 4.537 1.00 0.00 H new ATOM 0 HA LEU A 417 -4.461 0.462 5.242 1.00 0.00 H new ATOM 0 HB2 LEU A 417 -4.577 -1.597 3.765 1.00 0.00 H new ATOM 0 HB3 LEU A 417 -5.369 -0.621 2.544 1.00 0.00 H new ATOM 0 HG LEU A 417 -3.370 0.899 2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 417 -1.251 0.112 3.521 1.00 0.00 H new ATOM 0 HD12 LEU A 417 -2.487 0.444 4.757 1.00 0.00 H new ATOM 0 HD13 LEU A 417 -2.124 -1.234 4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 417 -1.901 -0.700 1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 417 -2.812 -2.060 1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 417 -3.614 -0.932 0.857 1.00 0.00 H new ATOM 579 N LEU A 418 -6.699 1.975 3.343 1.00 0.00 N ATOM 580 CA LEU A 418 -7.126 3.312 2.922 1.00 0.00 C ATOM 581 C LEU A 418 -7.283 4.246 4.128 1.00 0.00 C ATOM 582 O LEU A 418 -6.738 5.347 4.121 1.00 0.00 O ATOM 583 CB LEU A 418 -8.421 3.203 2.091 1.00 0.00 C ATOM 584 CG LEU A 418 -8.985 4.560 1.618 1.00 0.00 C ATOM 585 CD1 LEU A 418 -8.019 5.283 0.670 1.00 0.00 C ATOM 586 CD2 LEU A 418 -10.340 4.373 0.924 1.00 0.00 C ATOM 0 H LEU A 418 -7.375 1.240 3.135 1.00 0.00 H new ATOM 0 HA LEU A 418 -6.357 3.754 2.289 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -8.228 2.578 1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -9.180 2.694 2.686 1.00 0.00 H new ATOM 0 HG LEU A 418 -9.115 5.177 2.507 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -8.455 6.233 0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -7.075 5.467 1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -7.840 4.664 -0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -10.719 5.342 0.599 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -10.219 3.722 0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -11.047 3.922 1.621 1.00 0.00 H new ATOM 598 N GLN A 419 -7.979 3.816 5.181 1.00 0.00 N ATOM 599 CA GLN A 419 -8.212 4.630 6.381 1.00 0.00 C ATOM 600 C GLN A 419 -6.930 4.891 7.190 1.00 0.00 C ATOM 601 O GLN A 419 -6.845 5.906 7.883 1.00 0.00 O ATOM 602 CB GLN A 419 -9.306 3.976 7.241 1.00 0.00 C ATOM 603 CG GLN A 419 -10.691 4.123 6.584 1.00 0.00 C ATOM 604 CD GLN A 419 -11.823 3.424 7.344 1.00 0.00 C ATOM 605 OE1 GLN A 419 -11.695 2.968 8.475 1.00 0.00 O ATOM 606 NE2 GLN A 419 -12.996 3.331 6.748 1.00 0.00 N ATOM 0 H GLN A 419 -8.401 2.888 5.229 1.00 0.00 H new ATOM 0 HA GLN A 419 -8.553 5.613 6.056 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -9.078 2.920 7.383 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -9.319 4.435 8.230 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -10.928 5.183 6.495 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -10.645 3.721 5.572 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -13.121 3.705 5.807 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -13.778 2.885 7.228 1.00 0.00 H new ATOM 615 N MET A 420 -5.909 4.040 7.051 1.00 0.00 N ATOM 616 CA MET A 420 -4.573 4.260 7.613 1.00 0.00 C ATOM 617 C MET A 420 -3.755 5.314 6.838 1.00 0.00 C ATOM 618 O MET A 420 -2.898 5.960 7.442 1.00 0.00 O ATOM 619 CB MET A 420 -3.863 2.895 7.697 1.00 0.00 C ATOM 620 CG MET A 420 -2.426 2.969 8.221 1.00 0.00 C ATOM 621 SD MET A 420 -1.598 1.363 8.337 1.00 0.00 S ATOM 622 CE MET A 420 -2.127 0.883 9.996 1.00 0.00 C ATOM 0 H MET A 420 -5.989 3.163 6.536 1.00 0.00 H new ATOM 0 HA MET A 420 -4.669 4.684 8.612 1.00 0.00 H new ATOM 0 HB2 MET A 420 -4.441 2.236 8.345 1.00 0.00 H new ATOM 0 HB3 MET A 420 -3.854 2.441 6.706 1.00 0.00 H new ATOM 0 HG2 MET A 420 -1.845 3.619 7.567 1.00 0.00 H new ATOM 0 HG3 MET A 420 -2.434 3.434 9.207 1.00 0.00 H new ATOM 0 HE1 MET A 420 -1.845 -0.153 10.182 1.00 0.00 H new ATOM 0 HE2 MET A 420 -1.647 1.528 10.732 1.00 0.00 H new ATOM 0 HE3 MET A 420 -3.209 0.984 10.076 1.00 0.00 H new ATOM 632 N PHE A 421 -4.027 5.528 5.541 1.00 0.00 N ATOM 633 CA PHE A 421 -3.215 6.377 4.650 1.00 0.00 C ATOM 634 C PHE A 421 -3.918 7.657 4.148 1.00 0.00 C ATOM 635 O PHE A 421 -3.238 8.611 3.763 1.00 0.00 O ATOM 636 CB PHE A 421 -2.641 5.512 3.511 1.00 0.00 C ATOM 637 CG PHE A 421 -1.396 4.723 3.902 1.00 0.00 C ATOM 638 CD1 PHE A 421 -1.491 3.603 4.750 1.00 0.00 C ATOM 639 CD2 PHE A 421 -0.124 5.128 3.450 1.00 0.00 C ATOM 640 CE1 PHE A 421 -0.333 2.935 5.184 1.00 0.00 C ATOM 641 CE2 PHE A 421 1.037 4.465 3.885 1.00 0.00 C ATOM 642 CZ PHE A 421 0.933 3.380 4.770 1.00 0.00 C ATOM 0 H PHE A 421 -4.831 5.110 5.073 1.00 0.00 H new ATOM 0 HA PHE A 421 -2.394 6.776 5.246 1.00 0.00 H new ATOM 0 HB2 PHE A 421 -3.409 4.816 3.174 1.00 0.00 H new ATOM 0 HB3 PHE A 421 -2.400 6.156 2.665 1.00 0.00 H new ATOM 0 HD1 PHE A 421 -2.462 3.254 5.070 1.00 0.00 H new ATOM 0 HD2 PHE A 421 -0.040 5.956 2.762 1.00 0.00 H new ATOM 0 HE1 PHE A 421 -0.417 2.079 5.837 1.00 0.00 H new ATOM 0 HE2 PHE A 421 2.007 4.790 3.539 1.00 0.00 H new ATOM 0 HZ PHE A 421 1.824 2.889 5.131 1.00 0.00 H new ATOM 652 N MET A 422 -5.248 7.766 4.240 1.00 0.00 N ATOM 653 CA MET A 422 -5.992 9.011 3.992 1.00 0.00 C ATOM 654 C MET A 422 -5.531 10.242 4.811 1.00 0.00 C ATOM 655 O MET A 422 -5.587 11.342 4.250 1.00 0.00 O ATOM 656 CB MET A 422 -7.492 8.761 4.216 1.00 0.00 C ATOM 657 CG MET A 422 -8.162 8.154 2.980 1.00 0.00 C ATOM 658 SD MET A 422 -9.978 8.179 2.975 1.00 0.00 S ATOM 659 CE MET A 422 -10.359 7.172 4.432 1.00 0.00 C ATOM 0 H MET A 422 -5.849 6.981 4.492 1.00 0.00 H new ATOM 0 HA MET A 422 -5.780 9.274 2.956 1.00 0.00 H new ATOM 0 HB2 MET A 422 -7.625 8.092 5.066 1.00 0.00 H new ATOM 0 HB3 MET A 422 -7.982 9.701 4.470 1.00 0.00 H new ATOM 0 HG2 MET A 422 -7.807 8.688 2.098 1.00 0.00 H new ATOM 0 HG3 MET A 422 -7.831 7.120 2.881 1.00 0.00 H new ATOM 0 HE1 MET A 422 -11.440 7.086 4.542 1.00 0.00 H new ATOM 0 HE2 MET A 422 -9.927 6.179 4.311 1.00 0.00 H new ATOM 0 HE3 MET A 422 -9.940 7.644 5.320 1.00 0.00 H new ATOM 669 N PRO A 423 -5.059 10.121 6.074 1.00 0.00 N ATOM 670 CA PRO A 423 -4.582 11.255 6.871 1.00 0.00 C ATOM 671 C PRO A 423 -3.413 12.060 6.279 1.00 0.00 C ATOM 672 O PRO A 423 -3.182 13.183 6.730 1.00 0.00 O ATOM 673 CB PRO A 423 -4.190 10.666 8.231 1.00 0.00 C ATOM 674 CG PRO A 423 -5.125 9.469 8.370 1.00 0.00 C ATOM 675 CD PRO A 423 -5.196 8.953 6.937 1.00 0.00 C ATOM 0 HA PRO A 423 -5.384 11.992 6.919 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -3.143 10.365 8.253 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -4.332 11.385 9.038 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.728 8.719 9.054 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -6.105 9.759 8.748 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -4.402 8.232 6.744 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -6.142 8.443 6.754 1.00 0.00 H new ATOM 683 N PHE A 424 -2.686 11.529 5.285 1.00 0.00 N ATOM 684 CA PHE A 424 -1.489 12.170 4.713 1.00 0.00 C ATOM 685 C PHE A 424 -1.752 12.904 3.385 1.00 0.00 C ATOM 686 O PHE A 424 -0.906 13.684 2.941 1.00 0.00 O ATOM 687 CB PHE A 424 -0.380 11.120 4.569 1.00 0.00 C ATOM 688 CG PHE A 424 -0.215 10.246 5.798 1.00 0.00 C ATOM 689 CD1 PHE A 424 0.121 10.821 7.038 1.00 0.00 C ATOM 690 CD2 PHE A 424 -0.489 8.869 5.721 1.00 0.00 C ATOM 691 CE1 PHE A 424 0.165 10.024 8.196 1.00 0.00 C ATOM 692 CE2 PHE A 424 -0.417 8.068 6.872 1.00 0.00 C ATOM 693 CZ PHE A 424 -0.107 8.648 8.113 1.00 0.00 C ATOM 0 H PHE A 424 -2.913 10.635 4.850 1.00 0.00 H new ATOM 0 HA PHE A 424 -1.173 12.952 5.404 1.00 0.00 H new ATOM 0 HB2 PHE A 424 -0.598 10.487 3.709 1.00 0.00 H new ATOM 0 HB3 PHE A 424 0.564 11.625 4.362 1.00 0.00 H new ATOM 0 HD1 PHE A 424 0.345 11.876 7.100 1.00 0.00 H new ATOM 0 HD2 PHE A 424 -0.756 8.426 4.773 1.00 0.00 H new ATOM 0 HE1 PHE A 424 0.408 10.470 9.149 1.00 0.00 H new ATOM 0 HE2 PHE A 424 -0.600 7.006 6.803 1.00 0.00 H new ATOM 0 HZ PHE A 424 -0.078 8.037 9.003 1.00 0.00 H new ATOM 703 N GLY A 425 -2.929 12.698 2.779 1.00 0.00 N ATOM 704 CA GLY A 425 -3.413 13.440 1.605 1.00 0.00 C ATOM 705 C GLY A 425 -4.320 12.640 0.669 1.00 0.00 C ATOM 706 O GLY A 425 -4.881 11.610 1.043 1.00 0.00 O ATOM 0 H GLY A 425 -3.590 11.991 3.100 1.00 0.00 H new ATOM 0 HA2 GLY A 425 -3.955 14.321 1.948 1.00 0.00 H new ATOM 0 HA3 GLY A 425 -2.553 13.796 1.038 1.00 0.00 H new ATOM 710 N ASN A 426 -4.491 13.143 -0.558 1.00 0.00 N ATOM 711 CA ASN A 426 -5.425 12.597 -1.548 1.00 0.00 C ATOM 712 C ASN A 426 -4.950 11.243 -2.121 1.00 0.00 C ATOM 713 O ASN A 426 -4.074 11.200 -2.990 1.00 0.00 O ATOM 714 CB ASN A 426 -5.653 13.649 -2.651 1.00 0.00 C ATOM 715 CG ASN A 426 -6.694 13.225 -3.687 1.00 0.00 C ATOM 716 OD1 ASN A 426 -7.463 12.290 -3.496 1.00 0.00 O ATOM 717 ND2 ASN A 426 -6.753 13.909 -4.816 1.00 0.00 N ATOM 0 H ASN A 426 -3.975 13.955 -0.897 1.00 0.00 H new ATOM 0 HA ASN A 426 -6.375 12.384 -1.057 1.00 0.00 H new ATOM 0 HB2 ASN A 426 -5.969 14.585 -2.191 1.00 0.00 H new ATOM 0 HB3 ASN A 426 -4.707 13.846 -3.156 1.00 0.00 H new ATOM 0 HD21 ASN A 426 -7.439 13.659 -5.529 1.00 0.00 H new ATOM 0 HD22 ASN A 426 -6.113 14.687 -4.975 1.00 0.00 H new ATOM 724 N VAL A 427 -5.542 10.146 -1.639 1.00 0.00 N ATOM 725 CA VAL A 427 -5.254 8.768 -2.074 1.00 0.00 C ATOM 726 C VAL A 427 -5.997 8.462 -3.386 1.00 0.00 C ATOM 727 O VAL A 427 -7.205 8.660 -3.496 1.00 0.00 O ATOM 728 CB VAL A 427 -5.607 7.729 -0.978 1.00 0.00 C ATOM 729 CG1 VAL A 427 -5.316 6.295 -1.446 1.00 0.00 C ATOM 730 CG2 VAL A 427 -4.809 7.965 0.317 1.00 0.00 C ATOM 0 H VAL A 427 -6.257 10.189 -0.913 1.00 0.00 H new ATOM 0 HA VAL A 427 -4.181 8.689 -2.251 1.00 0.00 H new ATOM 0 HB VAL A 427 -6.672 7.855 -0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 427 -5.575 5.594 -0.653 1.00 0.00 H new ATOM 0 HG12 VAL A 427 -5.909 6.074 -2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 427 -4.257 6.198 -1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 427 -5.087 7.215 1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 427 -3.742 7.888 0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 427 -5.032 8.959 0.706 1.00 0.00 H new ATOM 740 N VAL A 428 -5.245 7.963 -4.367 1.00 0.00 N ATOM 741 CA VAL A 428 -5.659 7.613 -5.740 1.00 0.00 C ATOM 742 C VAL A 428 -5.873 6.096 -5.912 1.00 0.00 C ATOM 743 O VAL A 428 -6.631 5.676 -6.785 1.00 0.00 O ATOM 744 CB VAL A 428 -4.598 8.155 -6.738 1.00 0.00 C ATOM 745 CG1 VAL A 428 -4.714 7.620 -8.175 1.00 0.00 C ATOM 746 CG2 VAL A 428 -4.679 9.689 -6.794 1.00 0.00 C ATOM 0 H VAL A 428 -4.253 7.776 -4.219 1.00 0.00 H new ATOM 0 HA VAL A 428 -6.623 8.079 -5.946 1.00 0.00 H new ATOM 0 HB VAL A 428 -3.643 7.800 -6.351 1.00 0.00 H new ATOM 0 HG11 VAL A 428 -3.929 8.059 -8.791 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -4.607 6.535 -8.169 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -5.688 7.886 -8.585 1.00 0.00 H new ATOM 0 HG21 VAL A 428 -3.934 10.067 -7.494 1.00 0.00 H new ATOM 0 HG22 VAL A 428 -5.673 9.989 -7.125 1.00 0.00 H new ATOM 0 HG23 VAL A 428 -4.487 10.100 -5.803 1.00 0.00 H new ATOM 756 N SER A 429 -5.262 5.270 -5.058 1.00 0.00 N ATOM 757 CA SER A 429 -5.400 3.806 -5.047 1.00 0.00 C ATOM 758 C SER A 429 -4.991 3.242 -3.680 1.00 0.00 C ATOM 759 O SER A 429 -4.078 3.785 -3.055 1.00 0.00 O ATOM 760 CB SER A 429 -4.511 3.191 -6.131 1.00 0.00 C ATOM 761 OG SER A 429 -4.840 1.833 -6.357 1.00 0.00 O ATOM 0 H SER A 429 -4.635 5.611 -4.329 1.00 0.00 H new ATOM 0 HA SER A 429 -6.443 3.555 -5.241 1.00 0.00 H new ATOM 0 HB2 SER A 429 -4.622 3.753 -7.058 1.00 0.00 H new ATOM 0 HB3 SER A 429 -3.465 3.269 -5.834 1.00 0.00 H new ATOM 0 HG SER A 429 -4.351 1.504 -7.140 1.00 0.00 H new ATOM 767 N ALA A 430 -5.638 2.165 -3.222 1.00 0.00 N ATOM 768 CA ALA A 430 -5.317 1.450 -1.984 1.00 0.00 C ATOM 769 C ALA A 430 -5.758 -0.021 -2.076 1.00 0.00 C ATOM 770 O ALA A 430 -6.906 -0.319 -2.417 1.00 0.00 O ATOM 771 CB ALA A 430 -5.977 2.167 -0.798 1.00 0.00 C ATOM 0 H ALA A 430 -6.427 1.754 -3.721 1.00 0.00 H new ATOM 0 HA ALA A 430 -4.238 1.451 -1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 430 -5.740 1.637 0.125 1.00 0.00 H new ATOM 0 HB2 ALA A 430 -5.603 3.189 -0.736 1.00 0.00 H new ATOM 0 HB3 ALA A 430 -7.058 2.185 -0.939 1.00 0.00 H new ATOM 777 N LYS A 431 -4.855 -0.952 -1.758 1.00 0.00 N ATOM 778 CA LYS A 431 -5.085 -2.392 -1.914 1.00 0.00 C ATOM 779 C LYS A 431 -4.202 -3.236 -0.977 1.00 0.00 C ATOM 780 O LYS A 431 -2.991 -3.043 -0.934 1.00 0.00 O ATOM 781 CB LYS A 431 -4.802 -2.770 -3.388 1.00 0.00 C ATOM 782 CG LYS A 431 -5.226 -4.202 -3.770 1.00 0.00 C ATOM 783 CD LYS A 431 -6.721 -4.288 -4.113 1.00 0.00 C ATOM 784 CE LYS A 431 -7.245 -5.734 -4.144 1.00 0.00 C ATOM 785 NZ LYS A 431 -7.494 -6.280 -2.782 1.00 0.00 N ATOM 0 H LYS A 431 -3.934 -0.726 -1.381 1.00 0.00 H new ATOM 0 HA LYS A 431 -6.119 -2.607 -1.645 1.00 0.00 H new ATOM 0 HB2 LYS A 431 -5.321 -2.065 -4.037 1.00 0.00 H new ATOM 0 HB3 LYS A 431 -3.735 -2.656 -3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 431 -4.638 -4.538 -4.624 1.00 0.00 H new ATOM 0 HG3 LYS A 431 -5.004 -4.878 -2.944 1.00 0.00 H new ATOM 0 HD2 LYS A 431 -7.290 -3.716 -3.380 1.00 0.00 H new ATOM 0 HD3 LYS A 431 -6.893 -3.823 -5.084 1.00 0.00 H new ATOM 0 HE2 LYS A 431 -8.169 -5.770 -4.721 1.00 0.00 H new ATOM 0 HE3 LYS A 431 -6.523 -6.368 -4.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 -6.889 -7.111 -2.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 -7.275 -5.553 -2.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 -8.493 -6.558 -2.697 1.00 0.00 H new ATOM 799 N VAL A 432 -4.784 -4.204 -0.272 1.00 0.00 N ATOM 800 CA VAL A 432 -4.079 -5.264 0.470 1.00 0.00 C ATOM 801 C VAL A 432 -4.130 -6.533 -0.389 1.00 0.00 C ATOM 802 O VAL A 432 -5.179 -6.853 -0.955 1.00 0.00 O ATOM 803 CB VAL A 432 -4.720 -5.524 1.852 1.00 0.00 C ATOM 804 CG1 VAL A 432 -3.948 -6.617 2.610 1.00 0.00 C ATOM 805 CG2 VAL A 432 -4.728 -4.263 2.727 1.00 0.00 C ATOM 0 H VAL A 432 -5.798 -4.280 -0.195 1.00 0.00 H new ATOM 0 HA VAL A 432 -3.050 -4.957 0.658 1.00 0.00 H new ATOM 0 HB VAL A 432 -5.746 -5.838 1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 432 -4.415 -6.786 3.581 1.00 0.00 H new ATOM 0 HG12 VAL A 432 -3.966 -7.542 2.033 1.00 0.00 H new ATOM 0 HG13 VAL A 432 -2.915 -6.299 2.754 1.00 0.00 H new ATOM 0 HG21 VAL A 432 -5.187 -4.491 3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 432 -3.704 -3.923 2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 432 -5.298 -3.478 2.229 1.00 0.00 H new ATOM 815 N PHE A 433 -3.004 -7.240 -0.513 1.00 0.00 N ATOM 816 CA PHE A 433 -2.900 -8.449 -1.335 1.00 0.00 C ATOM 817 C PHE A 433 -3.388 -9.691 -0.567 1.00 0.00 C ATOM 818 O PHE A 433 -3.138 -9.841 0.629 1.00 0.00 O ATOM 819 CB PHE A 433 -1.466 -8.581 -1.863 1.00 0.00 C ATOM 820 CG PHE A 433 -1.071 -7.437 -2.785 1.00 0.00 C ATOM 821 CD1 PHE A 433 -1.565 -7.385 -4.103 1.00 0.00 C ATOM 822 CD2 PHE A 433 -0.242 -6.402 -2.317 1.00 0.00 C ATOM 823 CE1 PHE A 433 -1.228 -6.308 -4.943 1.00 0.00 C ATOM 824 CE2 PHE A 433 0.107 -5.331 -3.159 1.00 0.00 C ATOM 825 CZ PHE A 433 -0.391 -5.281 -4.473 1.00 0.00 C ATOM 0 H PHE A 433 -2.134 -6.989 -0.044 1.00 0.00 H new ATOM 0 HA PHE A 433 -3.560 -8.367 -2.198 1.00 0.00 H new ATOM 0 HB2 PHE A 433 -0.775 -8.618 -1.021 1.00 0.00 H new ATOM 0 HB3 PHE A 433 -1.366 -9.525 -2.399 1.00 0.00 H new ATOM 0 HD1 PHE A 433 -2.204 -8.174 -4.470 1.00 0.00 H new ATOM 0 HD2 PHE A 433 0.129 -6.430 -1.303 1.00 0.00 H new ATOM 0 HE1 PHE A 433 -1.613 -6.270 -5.951 1.00 0.00 H new ATOM 0 HE2 PHE A 433 0.757 -4.548 -2.797 1.00 0.00 H new ATOM 0 HZ PHE A 433 -0.131 -4.456 -5.119 1.00 0.00 H new ATOM 963 N LYS A 442 -1.942 -11.143 2.936 1.00 0.00 N ATOM 964 CA LYS A 442 -0.523 -11.538 2.911 1.00 0.00 C ATOM 965 C LYS A 442 0.402 -10.683 3.811 1.00 0.00 C ATOM 966 O LYS A 442 1.624 -10.835 3.765 1.00 0.00 O ATOM 967 CB LYS A 442 -0.054 -11.524 1.442 1.00 0.00 C ATOM 968 CG LYS A 442 -0.714 -12.627 0.601 1.00 0.00 C ATOM 969 CD LYS A 442 -0.224 -12.570 -0.854 1.00 0.00 C ATOM 970 CE LYS A 442 -0.651 -13.824 -1.629 1.00 0.00 C ATOM 971 NZ LYS A 442 0.169 -15.009 -1.258 1.00 0.00 N ATOM 0 HA LYS A 442 -0.449 -12.538 3.338 1.00 0.00 H new ATOM 0 HB2 LYS A 442 -0.279 -10.553 1.002 1.00 0.00 H new ATOM 0 HB3 LYS A 442 1.029 -11.646 1.409 1.00 0.00 H new ATOM 0 HG2 LYS A 442 -0.485 -13.603 1.029 1.00 0.00 H new ATOM 0 HG3 LYS A 442 -1.798 -12.513 0.629 1.00 0.00 H new ATOM 0 HD2 LYS A 442 -0.626 -11.682 -1.342 1.00 0.00 H new ATOM 0 HD3 LYS A 442 0.862 -12.479 -0.872 1.00 0.00 H new ATOM 0 HE2 LYS A 442 -1.702 -14.033 -1.431 1.00 0.00 H new ATOM 0 HE3 LYS A 442 -0.559 -13.639 -2.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 -0.068 -15.805 -1.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 1.178 -14.778 -1.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 -0.029 -15.274 -0.272 1.00 0.00 H new ATOM 985 N CYS A 443 -0.169 -9.762 4.599 1.00 0.00 N ATOM 986 CA CYS A 443 0.516 -8.782 5.460 1.00 0.00 C ATOM 987 C CYS A 443 1.311 -7.721 4.663 1.00 0.00 C ATOM 988 O CYS A 443 2.207 -7.082 5.214 1.00 0.00 O ATOM 989 CB CYS A 443 1.369 -9.484 6.535 1.00 0.00 C ATOM 990 SG CYS A 443 0.368 -10.674 7.484 1.00 0.00 S ATOM 0 H CYS A 443 -1.184 -9.674 4.658 1.00 0.00 H new ATOM 0 HA CYS A 443 -0.261 -8.221 5.979 1.00 0.00 H new ATOM 0 HB2 CYS A 443 2.204 -10.001 6.062 1.00 0.00 H new ATOM 0 HB3 CYS A 443 1.795 -8.741 7.210 1.00 0.00 H new ATOM 0 HG CYS A 443 1.113 -11.251 8.380 1.00 0.00 H new ATOM 996 N PHE A 444 0.974 -7.501 3.388 1.00 0.00 N ATOM 997 CA PHE A 444 1.526 -6.422 2.567 1.00 0.00 C ATOM 998 C PHE A 444 0.492 -5.885 1.565 1.00 0.00 C ATOM 999 O PHE A 444 -0.484 -6.559 1.224 1.00 0.00 O ATOM 1000 CB PHE A 444 2.856 -6.846 1.913 1.00 0.00 C ATOM 1001 CG PHE A 444 2.765 -7.842 0.772 1.00 0.00 C ATOM 1002 CD1 PHE A 444 2.585 -7.384 -0.548 1.00 0.00 C ATOM 1003 CD2 PHE A 444 2.919 -9.220 1.014 1.00 0.00 C ATOM 1004 CE1 PHE A 444 2.527 -8.299 -1.614 1.00 0.00 C ATOM 1005 CE2 PHE A 444 2.875 -10.134 -0.054 1.00 0.00 C ATOM 1006 CZ PHE A 444 2.667 -9.676 -1.367 1.00 0.00 C ATOM 0 H PHE A 444 0.297 -8.079 2.890 1.00 0.00 H new ATOM 0 HA PHE A 444 1.763 -5.582 3.220 1.00 0.00 H new ATOM 0 HB2 PHE A 444 3.355 -5.950 1.544 1.00 0.00 H new ATOM 0 HB3 PHE A 444 3.496 -7.271 2.686 1.00 0.00 H new ATOM 0 HD1 PHE A 444 2.491 -6.326 -0.742 1.00 0.00 H new ATOM 0 HD2 PHE A 444 3.071 -9.576 2.022 1.00 0.00 H new ATOM 0 HE1 PHE A 444 2.375 -7.944 -2.623 1.00 0.00 H new ATOM 0 HE2 PHE A 444 3.001 -11.190 0.135 1.00 0.00 H new ATOM 0 HZ PHE A 444 2.615 -10.380 -2.184 1.00 0.00 H new ATOM 1016 N GLY A 445 0.698 -4.638 1.140 1.00 0.00 N ATOM 1017 CA GLY A 445 -0.238 -3.835 0.354 1.00 0.00 C ATOM 1018 C GLY A 445 0.434 -2.737 -0.471 1.00 0.00 C ATOM 1019 O GLY A 445 1.657 -2.592 -0.484 1.00 0.00 O ATOM 0 H GLY A 445 1.563 -4.137 1.344 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -0.793 -4.492 -0.316 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -0.964 -3.379 1.026 1.00 0.00 H new ATOM 1023 N PHE A 446 -0.395 -1.960 -1.159 1.00 0.00 N ATOM 1024 CA PHE A 446 -0.033 -0.903 -2.097 1.00 0.00 C ATOM 1025 C PHE A 446 -0.951 0.311 -1.896 1.00 0.00 C ATOM 1026 O PHE A 446 -2.148 0.145 -1.661 1.00 0.00 O ATOM 1027 CB PHE A 446 -0.157 -1.468 -3.520 1.00 0.00 C ATOM 1028 CG PHE A 446 0.134 -0.478 -4.630 1.00 0.00 C ATOM 1029 CD1 PHE A 446 1.458 -0.064 -4.861 1.00 0.00 C ATOM 1030 CD2 PHE A 446 -0.903 0.018 -5.445 1.00 0.00 C ATOM 1031 CE1 PHE A 446 1.755 0.831 -5.904 1.00 0.00 C ATOM 1032 CE2 PHE A 446 -0.602 0.901 -6.496 1.00 0.00 C ATOM 1033 CZ PHE A 446 0.723 1.304 -6.732 1.00 0.00 C ATOM 0 H PHE A 446 -1.406 -2.058 -1.070 1.00 0.00 H new ATOM 0 HA PHE A 446 0.991 -0.570 -1.929 1.00 0.00 H new ATOM 0 HB2 PHE A 446 0.524 -2.313 -3.620 1.00 0.00 H new ATOM 0 HB3 PHE A 446 -1.167 -1.855 -3.654 1.00 0.00 H new ATOM 0 HD1 PHE A 446 2.253 -0.437 -4.232 1.00 0.00 H new ATOM 0 HD2 PHE A 446 -1.925 -0.279 -5.263 1.00 0.00 H new ATOM 0 HE1 PHE A 446 2.773 1.154 -6.068 1.00 0.00 H new ATOM 0 HE2 PHE A 446 -1.396 1.273 -7.127 1.00 0.00 H new ATOM 0 HZ PHE A 446 0.948 1.975 -7.548 1.00 0.00 H new ATOM 1043 N VAL A 447 -0.398 1.521 -1.993 1.00 0.00 N ATOM 1044 CA VAL A 447 -1.124 2.798 -1.859 1.00 0.00 C ATOM 1045 C VAL A 447 -0.521 3.813 -2.828 1.00 0.00 C ATOM 1046 O VAL A 447 0.695 3.907 -2.929 1.00 0.00 O ATOM 1047 CB VAL A 447 -1.069 3.365 -0.415 1.00 0.00 C ATOM 1048 CG1 VAL A 447 -1.789 4.720 -0.286 1.00 0.00 C ATOM 1049 CG2 VAL A 447 -1.695 2.408 0.616 1.00 0.00 C ATOM 0 H VAL A 447 0.598 1.650 -2.172 1.00 0.00 H new ATOM 0 HA VAL A 447 -2.172 2.612 -2.092 1.00 0.00 H new ATOM 0 HB VAL A 447 -0.006 3.490 -0.208 1.00 0.00 H new ATOM 0 HG11 VAL A 447 -1.721 5.072 0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 447 -1.319 5.446 -0.950 1.00 0.00 H new ATOM 0 HG13 VAL A 447 -2.837 4.603 -0.560 1.00 0.00 H new ATOM 0 HG21 VAL A 447 -1.631 2.851 1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 447 -2.741 2.234 0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 447 -1.157 1.460 0.606 1.00 0.00 H new ATOM 1059 N SER A 448 -1.343 4.595 -3.523 1.00 0.00 N ATOM 1060 CA SER A 448 -0.879 5.667 -4.422 1.00 0.00 C ATOM 1061 C SER A 448 -1.608 6.986 -4.167 1.00 0.00 C ATOM 1062 O SER A 448 -2.789 6.988 -3.826 1.00 0.00 O ATOM 1063 CB SER A 448 -1.095 5.280 -5.887 1.00 0.00 C ATOM 1064 OG SER A 448 -0.313 4.160 -6.252 1.00 0.00 O ATOM 0 H SER A 448 -2.359 4.508 -3.483 1.00 0.00 H new ATOM 0 HA SER A 448 0.183 5.800 -4.217 1.00 0.00 H new ATOM 0 HB2 SER A 448 -2.149 5.058 -6.053 1.00 0.00 H new ATOM 0 HB3 SER A 448 -0.842 6.125 -6.528 1.00 0.00 H new ATOM 0 HG SER A 448 -0.844 3.343 -6.148 1.00 0.00 H new ATOM 1070 N TYR A 449 -0.924 8.110 -4.385 1.00 0.00 N ATOM 1071 CA TYR A 449 -1.433 9.470 -4.172 1.00 0.00 C ATOM 1072 C TYR A 449 -1.492 10.307 -5.463 1.00 0.00 C ATOM 1073 O TYR A 449 -0.940 9.941 -6.501 1.00 0.00 O ATOM 1074 CB TYR A 449 -0.543 10.181 -3.141 1.00 0.00 C ATOM 1075 CG TYR A 449 -0.661 9.655 -1.728 1.00 0.00 C ATOM 1076 CD1 TYR A 449 0.093 8.539 -1.317 1.00 0.00 C ATOM 1077 CD2 TYR A 449 -1.546 10.278 -0.825 1.00 0.00 C ATOM 1078 CE1 TYR A 449 -0.016 8.066 0.002 1.00 0.00 C ATOM 1079 CE2 TYR A 449 -1.674 9.798 0.490 1.00 0.00 C ATOM 1080 CZ TYR A 449 -0.904 8.691 0.902 1.00 0.00 C ATOM 1081 OH TYR A 449 -1.022 8.206 2.162 1.00 0.00 O ATOM 0 H TYR A 449 0.037 8.100 -4.728 1.00 0.00 H new ATOM 0 HA TYR A 449 -2.457 9.378 -3.811 1.00 0.00 H new ATOM 0 HB2 TYR A 449 0.496 10.096 -3.459 1.00 0.00 H new ATOM 0 HB3 TYR A 449 -0.790 11.243 -3.140 1.00 0.00 H new ATOM 0 HD1 TYR A 449 0.754 8.047 -2.015 1.00 0.00 H new ATOM 0 HD2 TYR A 449 -2.129 11.129 -1.145 1.00 0.00 H new ATOM 0 HE1 TYR A 449 0.579 7.225 0.326 1.00 0.00 H new ATOM 0 HE2 TYR A 449 -2.356 10.273 1.179 1.00 0.00 H new ATOM 0 HH TYR A 449 -1.887 8.474 2.536 1.00 0.00 H new ATOM 1091 N ASP A 450 -2.131 11.476 -5.374 1.00 0.00 N ATOM 1092 CA ASP A 450 -2.138 12.523 -6.406 1.00 0.00 C ATOM 1093 C ASP A 450 -0.737 13.094 -6.719 1.00 0.00 C ATOM 1094 O ASP A 450 -0.502 13.582 -7.824 1.00 0.00 O ATOM 1095 CB ASP A 450 -3.083 13.630 -5.907 1.00 0.00 C ATOM 1096 CG ASP A 450 -3.043 14.907 -6.760 1.00 0.00 C ATOM 1097 OD1 ASP A 450 -3.724 14.952 -7.812 1.00 0.00 O ATOM 1098 OD2 ASP A 450 -2.351 15.868 -6.345 1.00 0.00 O ATOM 0 H ASP A 450 -2.679 11.732 -4.552 1.00 0.00 H new ATOM 0 HA ASP A 450 -2.478 12.092 -7.348 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -4.103 13.245 -5.892 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -2.822 13.882 -4.879 1.00 0.00 H new ATOM 1103 N ASN A 451 0.197 13.013 -5.766 1.00 0.00 N ATOM 1104 CA ASN A 451 1.522 13.640 -5.828 1.00 0.00 C ATOM 1105 C ASN A 451 2.519 12.986 -4.853 1.00 0.00 C ATOM 1106 O ASN A 451 2.104 12.327 -3.893 1.00 0.00 O ATOM 1107 CB ASN A 451 1.391 15.150 -5.542 1.00 0.00 C ATOM 1108 CG ASN A 451 0.801 15.455 -4.175 1.00 0.00 C ATOM 1109 OD1 ASN A 451 1.508 15.386 -3.180 1.00 0.00 O ATOM 1110 ND2 ASN A 451 -0.467 15.809 -4.087 1.00 0.00 N ATOM 0 H ASN A 451 0.047 12.492 -4.902 1.00 0.00 H new ATOM 0 HA ASN A 451 1.919 13.492 -6.832 1.00 0.00 H new ATOM 0 HB2 ASN A 451 2.375 15.613 -5.617 1.00 0.00 H new ATOM 0 HB3 ASN A 451 0.765 15.605 -6.310 1.00 0.00 H new ATOM 0 HD21 ASN A 451 -0.873 16.031 -3.178 1.00 0.00 H new ATOM 0 HD22 ASN A 451 -1.042 15.861 -4.928 1.00 0.00 H new ATOM 1117 N PRO A 452 3.837 13.197 -5.050 1.00 0.00 N ATOM 1118 CA PRO A 452 4.851 12.703 -4.129 1.00 0.00 C ATOM 1119 C PRO A 452 4.882 13.437 -2.781 1.00 0.00 C ATOM 1120 O PRO A 452 5.502 12.911 -1.862 1.00 0.00 O ATOM 1121 CB PRO A 452 6.184 12.834 -4.871 1.00 0.00 C ATOM 1122 CG PRO A 452 5.946 13.968 -5.857 1.00 0.00 C ATOM 1123 CD PRO A 452 4.469 13.815 -6.213 1.00 0.00 C ATOM 0 HA PRO A 452 4.629 11.671 -3.856 1.00 0.00 H new ATOM 0 HB2 PRO A 452 7.001 13.065 -4.187 1.00 0.00 H new ATOM 0 HB3 PRO A 452 6.449 11.909 -5.383 1.00 0.00 H new ATOM 0 HG2 PRO A 452 6.154 14.940 -5.411 1.00 0.00 H new ATOM 0 HG3 PRO A 452 6.584 13.878 -6.736 1.00 0.00 H new ATOM 0 HD2 PRO A 452 4.019 14.783 -6.434 1.00 0.00 H new ATOM 0 HD3 PRO A 452 4.344 13.195 -7.101 1.00 0.00 H new ATOM 1131 N VAL A 453 4.230 14.598 -2.610 1.00 0.00 N ATOM 1132 CA VAL A 453 4.339 15.363 -1.348 1.00 0.00 C ATOM 1133 C VAL A 453 3.509 14.705 -0.235 1.00 0.00 C ATOM 1134 O VAL A 453 4.011 14.482 0.865 1.00 0.00 O ATOM 1135 CB VAL A 453 3.962 16.856 -1.514 1.00 0.00 C ATOM 1136 CG1 VAL A 453 4.262 17.647 -0.231 1.00 0.00 C ATOM 1137 CG2 VAL A 453 4.726 17.510 -2.681 1.00 0.00 C ATOM 0 H VAL A 453 3.630 15.026 -3.315 1.00 0.00 H new ATOM 0 HA VAL A 453 5.390 15.340 -1.059 1.00 0.00 H new ATOM 0 HB VAL A 453 2.893 16.884 -1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 453 3.988 18.692 -0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 453 3.686 17.232 0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 453 5.326 17.579 -0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 453 4.434 18.557 -2.765 1.00 0.00 H new ATOM 0 HG22 VAL A 453 5.798 17.446 -2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 453 4.487 16.991 -3.609 1.00 0.00 H new ATOM 1147 N SER A 454 2.266 14.316 -0.532 1.00 0.00 N ATOM 1148 CA SER A 454 1.411 13.540 0.380 1.00 0.00 C ATOM 1149 C SER A 454 1.903 12.097 0.567 1.00 0.00 C ATOM 1150 O SER A 454 1.811 11.545 1.666 1.00 0.00 O ATOM 1151 CB SER A 454 -0.032 13.551 -0.141 1.00 0.00 C ATOM 1152 OG SER A 454 -0.099 13.277 -1.533 1.00 0.00 O ATOM 0 H SER A 454 1.817 14.532 -1.422 1.00 0.00 H new ATOM 0 HA SER A 454 1.457 14.014 1.361 1.00 0.00 H new ATOM 0 HB2 SER A 454 -0.619 12.811 0.403 1.00 0.00 H new ATOM 0 HB3 SER A 454 -0.482 14.524 0.059 1.00 0.00 H new ATOM 0 HG SER A 454 -1.034 13.292 -1.825 1.00 0.00 H new ATOM 1158 N ALA A 455 2.507 11.506 -0.470 1.00 0.00 N ATOM 1159 CA ALA A 455 3.107 10.175 -0.399 1.00 0.00 C ATOM 1160 C ALA A 455 4.339 10.135 0.520 1.00 0.00 C ATOM 1161 O ALA A 455 4.405 9.298 1.417 1.00 0.00 O ATOM 1162 CB ALA A 455 3.429 9.720 -1.823 1.00 0.00 C ATOM 0 H ALA A 455 2.592 11.944 -1.387 1.00 0.00 H new ATOM 0 HA ALA A 455 2.397 9.482 0.052 1.00 0.00 H new ATOM 0 HB1 ALA A 455 3.878 8.727 -1.795 1.00 0.00 H new ATOM 0 HB2 ALA A 455 2.511 9.686 -2.410 1.00 0.00 H new ATOM 0 HB3 ALA A 455 4.127 10.422 -2.280 1.00 0.00 H new ATOM 1168 N GLN A 456 5.287 11.066 0.365 1.00 0.00 N ATOM 1169 CA GLN A 456 6.468 11.161 1.235 1.00 0.00 C ATOM 1170 C GLN A 456 6.089 11.469 2.689 1.00 0.00 C ATOM 1171 O GLN A 456 6.752 10.983 3.607 1.00 0.00 O ATOM 1172 CB GLN A 456 7.436 12.232 0.696 1.00 0.00 C ATOM 1173 CG GLN A 456 8.224 11.773 -0.547 1.00 0.00 C ATOM 1174 CD GLN A 456 9.285 10.705 -0.258 1.00 0.00 C ATOM 1175 OE1 GLN A 456 9.645 10.412 0.876 1.00 0.00 O ATOM 1176 NE2 GLN A 456 9.831 10.072 -1.276 1.00 0.00 N ATOM 0 H GLN A 456 5.258 11.776 -0.367 1.00 0.00 H new ATOM 0 HA GLN A 456 6.962 10.189 1.228 1.00 0.00 H new ATOM 0 HB2 GLN A 456 6.871 13.130 0.448 1.00 0.00 H new ATOM 0 HB3 GLN A 456 8.139 12.505 1.483 1.00 0.00 H new ATOM 0 HG2 GLN A 456 7.523 11.382 -1.284 1.00 0.00 H new ATOM 0 HG3 GLN A 456 8.709 12.639 -0.996 1.00 0.00 H new ATOM 0 HE21 GLN A 456 9.547 10.299 -2.229 1.00 0.00 H new ATOM 0 HE22 GLN A 456 10.537 9.355 -1.111 1.00 0.00 H new ATOM 1185 N ALA A 457 5.003 12.214 2.926 1.00 0.00 N ATOM 1186 CA ALA A 457 4.458 12.425 4.266 1.00 0.00 C ATOM 1187 C ALA A 457 3.916 11.127 4.896 1.00 0.00 C ATOM 1188 O ALA A 457 4.004 10.967 6.115 1.00 0.00 O ATOM 1189 CB ALA A 457 3.381 13.513 4.193 1.00 0.00 C ATOM 0 H ALA A 457 4.479 12.687 2.190 1.00 0.00 H new ATOM 0 HA ALA A 457 5.264 12.752 4.923 1.00 0.00 H new ATOM 0 HB1 ALA A 457 2.965 13.681 5.187 1.00 0.00 H new ATOM 0 HB2 ALA A 457 3.823 14.438 3.824 1.00 0.00 H new ATOM 0 HB3 ALA A 457 2.588 13.195 3.517 1.00 0.00 H new ATOM 1195 N ALA A 458 3.427 10.176 4.090 1.00 0.00 N ATOM 1196 CA ALA A 458 2.993 8.868 4.566 1.00 0.00 C ATOM 1197 C ALA A 458 4.189 7.963 4.884 1.00 0.00 C ATOM 1198 O ALA A 458 4.202 7.332 5.939 1.00 0.00 O ATOM 1199 CB ALA A 458 2.059 8.243 3.529 1.00 0.00 C ATOM 0 H ALA A 458 3.323 10.299 3.083 1.00 0.00 H new ATOM 0 HA ALA A 458 2.445 8.987 5.501 1.00 0.00 H new ATOM 0 HB1 ALA A 458 1.730 7.264 3.878 1.00 0.00 H new ATOM 0 HB2 ALA A 458 1.192 8.887 3.386 1.00 0.00 H new ATOM 0 HB3 ALA A 458 2.588 8.131 2.583 1.00 0.00 H new ATOM 1205 N ILE A 459 5.236 7.952 4.044 1.00 0.00 N ATOM 1206 CA ILE A 459 6.473 7.188 4.326 1.00 0.00 C ATOM 1207 C ILE A 459 7.102 7.665 5.642 1.00 0.00 C ATOM 1208 O ILE A 459 7.411 6.847 6.506 1.00 0.00 O ATOM 1209 CB ILE A 459 7.503 7.263 3.169 1.00 0.00 C ATOM 1210 CG1 ILE A 459 6.874 6.897 1.809 1.00 0.00 C ATOM 1211 CG2 ILE A 459 8.691 6.319 3.459 1.00 0.00 C ATOM 1212 CD1 ILE A 459 7.849 7.029 0.636 1.00 0.00 C ATOM 0 H ILE A 459 5.256 8.463 3.161 1.00 0.00 H new ATOM 0 HA ILE A 459 6.187 6.140 4.420 1.00 0.00 H new ATOM 0 HB ILE A 459 7.851 8.294 3.109 1.00 0.00 H new ATOM 0 HG12 ILE A 459 6.504 5.873 1.851 1.00 0.00 H new ATOM 0 HG13 ILE A 459 6.012 7.540 1.630 1.00 0.00 H new ATOM 0 HG21 ILE A 459 9.410 6.377 2.642 1.00 0.00 H new ATOM 0 HG22 ILE A 459 9.174 6.617 4.389 1.00 0.00 H new ATOM 0 HG23 ILE A 459 8.328 5.295 3.551 1.00 0.00 H new ATOM 0 HD11 ILE A 459 7.343 6.757 -0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 459 8.200 8.059 0.569 1.00 0.00 H new ATOM 0 HD13 ILE A 459 8.699 6.366 0.793 1.00 0.00 H new ATOM 1224 N GLN A 460 7.226 8.981 5.828 1.00 0.00 N ATOM 1225 CA GLN A 460 7.828 9.581 7.025 1.00 0.00 C ATOM 1226 C GLN A 460 6.963 9.429 8.291 1.00 0.00 C ATOM 1227 O GLN A 460 7.474 9.596 9.398 1.00 0.00 O ATOM 1228 CB GLN A 460 8.131 11.063 6.749 1.00 0.00 C ATOM 1229 CG GLN A 460 9.279 11.249 5.742 1.00 0.00 C ATOM 1230 CD GLN A 460 9.400 12.707 5.298 1.00 0.00 C ATOM 1231 OE1 GLN A 460 10.241 13.469 5.761 1.00 0.00 O ATOM 1232 NE2 GLN A 460 8.553 13.148 4.392 1.00 0.00 N ATOM 0 H GLN A 460 6.908 9.669 5.145 1.00 0.00 H new ATOM 0 HA GLN A 460 8.750 9.037 7.231 1.00 0.00 H new ATOM 0 HB2 GLN A 460 7.234 11.549 6.367 1.00 0.00 H new ATOM 0 HB3 GLN A 460 8.388 11.559 7.685 1.00 0.00 H new ATOM 0 HG2 GLN A 460 10.217 10.925 6.193 1.00 0.00 H new ATOM 0 HG3 GLN A 460 9.108 10.615 4.872 1.00 0.00 H new ATOM 0 HE21 GLN A 460 7.850 12.520 4.002 1.00 0.00 H new ATOM 0 HE22 GLN A 460 8.599 14.118 4.080 1.00 0.00 H new ATOM 1241 N SER A 461 5.677 9.084 8.161 1.00 0.00 N ATOM 1242 CA SER A 461 4.774 8.852 9.301 1.00 0.00 C ATOM 1243 C SER A 461 4.576 7.365 9.638 1.00 0.00 C ATOM 1244 O SER A 461 4.358 7.031 10.806 1.00 0.00 O ATOM 1245 CB SER A 461 3.402 9.484 9.025 1.00 0.00 C ATOM 1246 OG SER A 461 3.494 10.890 8.845 1.00 0.00 O ATOM 0 H SER A 461 5.227 8.956 7.255 1.00 0.00 H new ATOM 0 HA SER A 461 5.253 9.318 10.162 1.00 0.00 H new ATOM 0 HB2 SER A 461 2.966 9.032 8.134 1.00 0.00 H new ATOM 0 HB3 SER A 461 2.729 9.267 9.854 1.00 0.00 H new ATOM 0 HG SER A 461 3.663 11.088 7.900 1.00 0.00 H new ATOM 1252 N MET A 462 4.673 6.468 8.645 1.00 0.00 N ATOM 1253 CA MET A 462 4.280 5.055 8.771 1.00 0.00 C ATOM 1254 C MET A 462 5.430 4.052 8.670 1.00 0.00 C ATOM 1255 O MET A 462 5.294 2.928 9.154 1.00 0.00 O ATOM 1256 CB MET A 462 3.206 4.724 7.725 1.00 0.00 C ATOM 1257 CG MET A 462 1.952 5.600 7.860 1.00 0.00 C ATOM 1258 SD MET A 462 1.237 5.724 9.526 1.00 0.00 S ATOM 1259 CE MET A 462 0.694 4.023 9.763 1.00 0.00 C ATOM 0 H MET A 462 5.031 6.706 7.720 1.00 0.00 H new ATOM 0 HA MET A 462 3.892 4.947 9.784 1.00 0.00 H new ATOM 0 HB2 MET A 462 3.626 4.851 6.727 1.00 0.00 H new ATOM 0 HB3 MET A 462 2.923 3.676 7.821 1.00 0.00 H new ATOM 0 HG2 MET A 462 2.197 6.605 7.517 1.00 0.00 H new ATOM 0 HG3 MET A 462 1.188 5.211 7.187 1.00 0.00 H new ATOM 0 HE1 MET A 462 -0.075 3.991 10.535 1.00 0.00 H new ATOM 0 HE2 MET A 462 0.286 3.638 8.828 1.00 0.00 H new ATOM 0 HE3 MET A 462 1.542 3.410 10.069 1.00 0.00 H new ATOM 1269 N ASN A 463 6.576 4.424 8.098 1.00 0.00 N ATOM 1270 CA ASN A 463 7.751 3.554 8.080 1.00 0.00 C ATOM 1271 C ASN A 463 8.362 3.463 9.495 1.00 0.00 C ATOM 1272 O ASN A 463 8.885 4.448 10.022 1.00 0.00 O ATOM 1273 CB ASN A 463 8.741 4.066 7.026 1.00 0.00 C ATOM 1274 CG ASN A 463 9.861 3.066 6.785 1.00 0.00 C ATOM 1275 OD1 ASN A 463 9.607 1.935 6.390 1.00 0.00 O ATOM 1276 ND2 ASN A 463 11.106 3.433 7.021 1.00 0.00 N ATOM 0 H ASN A 463 6.715 5.325 7.640 1.00 0.00 H new ATOM 0 HA ASN A 463 7.474 2.538 7.798 1.00 0.00 H new ATOM 0 HB2 ASN A 463 8.214 4.256 6.091 1.00 0.00 H new ATOM 0 HB3 ASN A 463 9.164 5.016 7.353 1.00 0.00 H new ATOM 0 HD21 ASN A 463 11.869 2.772 6.875 1.00 0.00 H new ATOM 0 HD22 ASN A 463 11.306 4.378 7.350 1.00 0.00 H new ATOM 1283 N GLY A 464 8.251 2.289 10.128 1.00 0.00 N ATOM 1284 CA GLY A 464 8.607 2.042 11.534 1.00 0.00 C ATOM 1285 C GLY A 464 7.454 2.246 12.526 1.00 0.00 C ATOM 1286 O GLY A 464 7.700 2.203 13.731 1.00 0.00 O ATOM 0 H GLY A 464 7.898 1.454 9.660 1.00 0.00 H new ATOM 0 HA2 GLY A 464 8.975 1.020 11.629 1.00 0.00 H new ATOM 0 HA3 GLY A 464 9.428 2.703 11.810 1.00 0.00 H new ATOM 1290 N PHE A 465 6.212 2.448 12.069 1.00 0.00 N ATOM 1291 CA PHE A 465 5.029 2.556 12.935 1.00 0.00 C ATOM 1292 C PHE A 465 4.756 1.222 13.644 1.00 0.00 C ATOM 1293 O PHE A 465 4.585 0.199 12.982 1.00 0.00 O ATOM 1294 CB PHE A 465 3.835 2.986 12.072 1.00 0.00 C ATOM 1295 CG PHE A 465 2.507 3.144 12.792 1.00 0.00 C ATOM 1296 CD1 PHE A 465 1.620 2.054 12.924 1.00 0.00 C ATOM 1297 CD2 PHE A 465 2.131 4.407 13.289 1.00 0.00 C ATOM 1298 CE1 PHE A 465 0.371 2.231 13.546 1.00 0.00 C ATOM 1299 CE2 PHE A 465 0.883 4.580 13.915 1.00 0.00 C ATOM 1300 CZ PHE A 465 0.001 3.493 14.042 1.00 0.00 C ATOM 0 H PHE A 465 5.997 2.542 11.076 1.00 0.00 H new ATOM 0 HA PHE A 465 5.199 3.302 13.712 1.00 0.00 H new ATOM 0 HB2 PHE A 465 4.081 3.935 11.596 1.00 0.00 H new ATOM 0 HB3 PHE A 465 3.707 2.253 11.275 1.00 0.00 H new ATOM 0 HD1 PHE A 465 1.901 1.082 12.547 1.00 0.00 H new ATOM 0 HD2 PHE A 465 2.803 5.246 13.189 1.00 0.00 H new ATOM 0 HE1 PHE A 465 -0.306 1.395 13.643 1.00 0.00 H new ATOM 0 HE2 PHE A 465 0.602 5.550 14.299 1.00 0.00 H new ATOM 0 HZ PHE A 465 -0.958 3.627 14.519 1.00 0.00 H new ATOM 1310 N GLN A 466 4.719 1.217 14.980 1.00 0.00 N ATOM 1311 CA GLN A 466 4.406 0.011 15.748 1.00 0.00 C ATOM 1312 C GLN A 466 2.906 -0.301 15.661 1.00 0.00 C ATOM 1313 O GLN A 466 2.065 0.566 15.907 1.00 0.00 O ATOM 1314 CB GLN A 466 4.869 0.161 17.209 1.00 0.00 C ATOM 1315 CG GLN A 466 4.761 -1.180 17.968 1.00 0.00 C ATOM 1316 CD GLN A 466 5.049 -1.079 19.468 1.00 0.00 C ATOM 1317 OE1 GLN A 466 5.807 -0.241 19.945 1.00 0.00 O ATOM 1318 NE2 GLN A 466 4.451 -1.932 20.276 1.00 0.00 N ATOM 0 H GLN A 466 4.903 2.040 15.553 1.00 0.00 H new ATOM 0 HA GLN A 466 4.949 -0.831 15.317 1.00 0.00 H new ATOM 0 HB2 GLN A 466 5.900 0.513 17.232 1.00 0.00 H new ATOM 0 HB3 GLN A 466 4.263 0.916 17.710 1.00 0.00 H new ATOM 0 HG2 GLN A 466 3.758 -1.583 17.829 1.00 0.00 H new ATOM 0 HG3 GLN A 466 5.456 -1.893 17.524 1.00 0.00 H new ATOM 0 HE21 GLN A 466 3.817 -2.636 19.896 1.00 0.00 H new ATOM 0 HE22 GLN A 466 4.622 -1.888 21.281 1.00 0.00 H new ATOM 1327 N ILE A 467 2.570 -1.558 15.368 1.00 0.00 N ATOM 1328 CA ILE A 467 1.198 -2.073 15.367 1.00 0.00 C ATOM 1329 C ILE A 467 1.196 -3.462 16.024 1.00 0.00 C ATOM 1330 O ILE A 467 1.872 -4.389 15.569 1.00 0.00 O ATOM 1331 CB ILE A 467 0.602 -1.990 13.937 1.00 0.00 C ATOM 1332 CG1 ILE A 467 -0.938 -2.034 14.010 1.00 0.00 C ATOM 1333 CG2 ILE A 467 1.164 -3.042 12.960 1.00 0.00 C ATOM 1334 CD1 ILE A 467 -1.627 -1.664 12.691 1.00 0.00 C ATOM 0 H ILE A 467 3.261 -2.265 15.118 1.00 0.00 H new ATOM 0 HA ILE A 467 0.525 -1.463 15.970 1.00 0.00 H new ATOM 0 HB ILE A 467 0.915 -1.034 13.517 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -1.251 -3.036 14.305 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -1.276 -1.352 14.790 1.00 0.00 H new ATOM 0 HG21 ILE A 467 0.697 -2.917 11.983 1.00 0.00 H new ATOM 0 HG22 ILE A 467 2.242 -2.912 12.866 1.00 0.00 H new ATOM 0 HG23 ILE A 467 0.950 -4.041 13.339 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -2.708 -1.717 12.818 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -1.344 -0.651 12.404 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -1.319 -2.361 11.912 1.00 0.00 H new ATOM 1392 N ARG A 471 6.423 -3.854 13.797 1.00 0.00 N ATOM 1393 CA ARG A 471 6.570 -2.533 13.163 1.00 0.00 C ATOM 1394 C ARG A 471 6.383 -2.630 11.645 1.00 0.00 C ATOM 1395 O ARG A 471 6.907 -3.542 11.004 1.00 0.00 O ATOM 1396 CB ARG A 471 7.938 -1.912 13.501 1.00 0.00 C ATOM 1397 CG ARG A 471 8.124 -1.671 15.004 1.00 0.00 C ATOM 1398 CD ARG A 471 9.489 -1.043 15.308 1.00 0.00 C ATOM 1399 NE ARG A 471 9.523 0.398 15.008 1.00 0.00 N ATOM 1400 CZ ARG A 471 10.562 1.212 15.152 1.00 0.00 C ATOM 1401 NH1 ARG A 471 11.742 0.784 15.554 1.00 0.00 N ATOM 1402 NH2 ARG A 471 10.411 2.489 14.887 1.00 0.00 N ATOM 0 HA ARG A 471 5.791 -1.882 13.561 1.00 0.00 H new ATOM 0 HB2 ARG A 471 8.730 -2.570 13.142 1.00 0.00 H new ATOM 0 HB3 ARG A 471 8.044 -0.966 12.970 1.00 0.00 H new ATOM 0 HG2 ARG A 471 7.332 -1.017 15.369 1.00 0.00 H new ATOM 0 HG3 ARG A 471 8.030 -2.616 15.539 1.00 0.00 H new ATOM 0 HD2 ARG A 471 9.731 -1.198 16.359 1.00 0.00 H new ATOM 0 HD3 ARG A 471 10.257 -1.551 14.725 1.00 0.00 H new ATOM 0 HE ARG A 471 8.661 0.813 14.654 1.00 0.00 H new ATOM 0 HH11 ARG A 471 11.881 -0.204 15.767 1.00 0.00 H new ATOM 0 HH12 ARG A 471 12.516 1.441 15.652 1.00 0.00 H new ATOM 0 HH21 ARG A 471 9.506 2.842 14.576 1.00 0.00 H new ATOM 0 HH22 ARG A 471 11.199 3.128 14.992 1.00 0.00 H new ATOM 1416 N LEU A 472 5.631 -1.682 11.085 1.00 0.00 N ATOM 1417 CA LEU A 472 5.382 -1.551 9.646 1.00 0.00 C ATOM 1418 C LEU A 472 6.636 -1.077 8.899 1.00 0.00 C ATOM 1419 O LEU A 472 7.486 -0.386 9.461 1.00 0.00 O ATOM 1420 CB LEU A 472 4.229 -0.551 9.402 1.00 0.00 C ATOM 1421 CG LEU A 472 2.850 -0.947 9.966 1.00 0.00 C ATOM 1422 CD1 LEU A 472 1.812 0.119 9.590 1.00 0.00 C ATOM 1423 CD2 LEU A 472 2.392 -2.306 9.428 1.00 0.00 C ATOM 0 H LEU A 472 5.164 -0.962 11.635 1.00 0.00 H new ATOM 0 HA LEU A 472 5.109 -2.534 9.264 1.00 0.00 H new ATOM 0 HB2 LEU A 472 4.512 0.409 9.833 1.00 0.00 H new ATOM 0 HB3 LEU A 472 4.129 -0.400 8.327 1.00 0.00 H new ATOM 0 HG LEU A 472 2.941 -1.019 11.050 1.00 0.00 H new ATOM 0 HD11 LEU A 472 0.838 -0.164 9.990 1.00 0.00 H new ATOM 0 HD12 LEU A 472 2.110 1.081 10.008 1.00 0.00 H new ATOM 0 HD13 LEU A 472 1.749 0.199 8.505 1.00 0.00 H new ATOM 0 HD21 LEU A 472 1.416 -2.553 9.847 1.00 0.00 H new ATOM 0 HD22 LEU A 472 2.320 -2.262 8.341 1.00 0.00 H new ATOM 0 HD23 LEU A 472 3.113 -3.072 9.713 1.00 0.00 H new ATOM 1435 N LYS A 473 6.711 -1.382 7.603 1.00 0.00 N ATOM 1436 CA LYS A 473 7.705 -0.834 6.666 1.00 0.00 C ATOM 1437 C LYS A 473 6.984 -0.245 5.440 1.00 0.00 C ATOM 1438 O LYS A 473 6.008 -0.826 4.972 1.00 0.00 O ATOM 1439 CB LYS A 473 8.705 -1.946 6.291 1.00 0.00 C ATOM 1440 CG LYS A 473 9.830 -1.466 5.355 1.00 0.00 C ATOM 1441 CD LYS A 473 10.791 -2.590 4.939 1.00 0.00 C ATOM 1442 CE LYS A 473 10.114 -3.615 4.013 1.00 0.00 C ATOM 1443 NZ LYS A 473 11.085 -4.620 3.501 1.00 0.00 N ATOM 0 H LYS A 473 6.066 -2.035 7.159 1.00 0.00 H new ATOM 0 HA LYS A 473 8.270 -0.023 7.126 1.00 0.00 H new ATOM 0 HB2 LYS A 473 9.147 -2.349 7.202 1.00 0.00 H new ATOM 0 HB3 LYS A 473 8.166 -2.762 5.810 1.00 0.00 H new ATOM 0 HG2 LYS A 473 9.387 -1.026 4.461 1.00 0.00 H new ATOM 0 HG3 LYS A 473 10.396 -0.678 5.852 1.00 0.00 H new ATOM 0 HD2 LYS A 473 11.655 -2.159 4.433 1.00 0.00 H new ATOM 0 HD3 LYS A 473 11.163 -3.097 5.829 1.00 0.00 H new ATOM 0 HE2 LYS A 473 9.316 -4.123 4.554 1.00 0.00 H new ATOM 0 HE3 LYS A 473 9.650 -3.097 3.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 10.592 -5.294 2.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 11.833 -4.137 2.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 11.509 -5.132 4.301 1.00 0.00 H new ATOM 1457 N VAL A 474 7.439 0.892 4.912 1.00 0.00 N ATOM 1458 CA VAL A 474 6.841 1.571 3.752 1.00 0.00 C ATOM 1459 C VAL A 474 7.957 2.105 2.849 1.00 0.00 C ATOM 1460 O VAL A 474 8.917 2.688 3.351 1.00 0.00 O ATOM 1461 CB VAL A 474 5.907 2.733 4.176 1.00 0.00 C ATOM 1462 CG1 VAL A 474 5.169 3.296 2.955 1.00 0.00 C ATOM 1463 CG2 VAL A 474 4.874 2.304 5.231 1.00 0.00 C ATOM 0 H VAL A 474 8.253 1.381 5.285 1.00 0.00 H new ATOM 0 HA VAL A 474 6.233 0.844 3.213 1.00 0.00 H new ATOM 0 HB VAL A 474 6.544 3.498 4.620 1.00 0.00 H new ATOM 0 HG11 VAL A 474 4.517 4.111 3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 474 5.894 3.669 2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 474 4.571 2.509 2.496 1.00 0.00 H new ATOM 0 HG21 VAL A 474 4.246 3.156 5.492 1.00 0.00 H new ATOM 0 HG22 VAL A 474 4.252 1.505 4.828 1.00 0.00 H new ATOM 0 HG23 VAL A 474 5.391 1.947 6.122 1.00 0.00 H new ATOM 1473 N GLN A 475 7.826 1.930 1.531 1.00 0.00 N ATOM 1474 CA GLN A 475 8.797 2.404 0.538 1.00 0.00 C ATOM 1475 C GLN A 475 8.135 2.726 -0.809 1.00 0.00 C ATOM 1476 O GLN A 475 7.026 2.275 -1.099 1.00 0.00 O ATOM 1477 CB GLN A 475 9.925 1.360 0.350 1.00 0.00 C ATOM 1478 CG GLN A 475 11.229 1.702 1.093 1.00 0.00 C ATOM 1479 CD GLN A 475 11.937 2.968 0.589 1.00 0.00 C ATOM 1480 OE1 GLN A 475 11.441 3.727 -0.238 1.00 0.00 O ATOM 1481 NE2 GLN A 475 13.130 3.253 1.069 1.00 0.00 N ATOM 0 H GLN A 475 7.029 1.447 1.116 1.00 0.00 H new ATOM 0 HA GLN A 475 9.226 3.331 0.917 1.00 0.00 H new ATOM 0 HB2 GLN A 475 9.568 0.389 0.694 1.00 0.00 H new ATOM 0 HB3 GLN A 475 10.141 1.262 -0.714 1.00 0.00 H new ATOM 0 HG2 GLN A 475 11.007 1.823 2.153 1.00 0.00 H new ATOM 0 HG3 GLN A 475 11.914 0.859 1.005 1.00 0.00 H new ATOM 0 HE21 GLN A 475 13.563 2.637 1.757 1.00 0.00 H new ATOM 0 HE22 GLN A 475 13.621 4.089 0.752 1.00 0.00 H new ATOM 1490 N LEU A 476 8.841 3.499 -1.641 1.00 0.00 N ATOM 1491 CA LEU A 476 8.454 3.807 -3.022 1.00 0.00 C ATOM 1492 C LEU A 476 8.435 2.567 -3.934 1.00 0.00 C ATOM 1493 O LEU A 476 9.153 1.588 -3.722 1.00 0.00 O ATOM 1494 CB LEU A 476 9.433 4.842 -3.617 1.00 0.00 C ATOM 1495 CG LEU A 476 9.409 6.254 -3.004 1.00 0.00 C ATOM 1496 CD1 LEU A 476 10.432 7.121 -3.749 1.00 0.00 C ATOM 1497 CD2 LEU A 476 8.026 6.903 -3.121 1.00 0.00 C ATOM 0 H LEU A 476 9.719 3.939 -1.366 1.00 0.00 H new ATOM 0 HA LEU A 476 7.439 4.202 -2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 476 10.444 4.447 -3.521 1.00 0.00 H new ATOM 0 HB3 LEU A 476 9.226 4.931 -4.683 1.00 0.00 H new ATOM 0 HG LEU A 476 9.652 6.175 -1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 476 10.431 8.127 -3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 476 11.425 6.685 -3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 476 10.168 7.168 -4.806 1.00 0.00 H new ATOM 0 HD21 LEU A 476 8.052 7.898 -2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 476 7.749 6.982 -4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 476 7.291 6.291 -2.598 1.00 0.00 H new ATOM 1509 N LYS A 477 7.666 2.662 -5.024 1.00 0.00 N ATOM 1510 CA LYS A 477 7.667 1.694 -6.133 1.00 0.00 C ATOM 1511 C LYS A 477 9.006 1.658 -6.908 1.00 0.00 C ATOM 1512 O LYS A 477 9.396 0.600 -7.413 1.00 0.00 O ATOM 1513 CB LYS A 477 6.464 2.029 -7.040 1.00 0.00 C ATOM 1514 CG LYS A 477 6.370 1.131 -8.285 1.00 0.00 C ATOM 1515 CD LYS A 477 5.014 1.277 -8.989 1.00 0.00 C ATOM 1516 CE LYS A 477 4.991 0.399 -10.247 1.00 0.00 C ATOM 1517 NZ LYS A 477 3.662 0.420 -10.905 1.00 0.00 N ATOM 0 H LYS A 477 7.010 3.430 -5.166 1.00 0.00 H new ATOM 0 HA LYS A 477 7.566 0.684 -5.736 1.00 0.00 H new ATOM 0 HB2 LYS A 477 5.545 1.934 -6.462 1.00 0.00 H new ATOM 0 HB3 LYS A 477 6.535 3.070 -7.356 1.00 0.00 H new ATOM 0 HG2 LYS A 477 7.170 1.387 -8.980 1.00 0.00 H new ATOM 0 HG3 LYS A 477 6.520 0.091 -7.996 1.00 0.00 H new ATOM 0 HD2 LYS A 477 4.209 0.985 -8.314 1.00 0.00 H new ATOM 0 HD3 LYS A 477 4.842 2.319 -9.257 1.00 0.00 H new ATOM 0 HE2 LYS A 477 5.750 0.747 -10.948 1.00 0.00 H new ATOM 0 HE3 LYS A 477 5.249 -0.626 -9.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 3.731 -0.027 -11.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 2.978 -0.103 -10.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 3.344 1.404 -11.013 1.00 0.00 H new