USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=13 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 394 GLN : amide:sc= 0.953 K(o=2.6,f=-5.8!) USER MOD Set 1.2: A 431 LYS NZ :NH3+ 176:sc= 1.63 (180deg=0.553) USER MOD Set 2.1: A 402 ASN : amide:sc= 0.321 K(o=2.2,f=0.33) USER MOD Set 2.2: A 448 SER OG : rot 29:sc= 1.85 USER MOD Single : A 393 SER OG : rot 180:sc= 0 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= 0.448 K(o=0.45,f=-4.5!) USER MOD Single : A 415 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 419 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 420 MET CE :methyl -166:sc= -0.0612 (180deg=-0.446) USER MOD Single : A 422 MET CE :methyl 154:sc= 0 (180deg=-0.331) USER MOD Single : A 426 ASN : amide:sc= -0.0145 K(o=-0.015,f=-0.84) USER MOD Single : A 429 SER OG : rot 32:sc= 0.565 USER MOD Single : A 442 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 443 CYS SG : rot -90:sc= 0.0231 USER MOD Single : A 449 TYR OH : rot -160:sc= 0.954 USER MOD Single : A 451 ASN : amide:sc= -0.154 X(o=-0.15,f=-0.15) USER MOD Single : A 454 SER OG : rot 180:sc= 0 USER MOD Single : A 456 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 460 GLN : amide:sc= 0.383 X(o=0.38,f=0) USER MOD Single : A 461 SER OG : rot 90:sc= 0.883 USER MOD Single : A 462 MET CE :methyl 163:sc= -0.423 (180deg=-1.07) USER MOD Single : A 463 ASN : amide:sc= 0.759 K(o=0.76,f=-6.2!) USER MOD Single : A 466 GLN : amide:sc= 0.954 K(o=0.95,f=-6.2!) USER MOD Single : A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 GLN : amide:sc= 0.758 K(o=0.76,f=0) USER MOD Single : A 477 LYS NZ :NH3+ 168:sc= 0.937 (180deg=0.887) USER MOD ----------------------------------------------------------------- ATOM 182 N ALA A 391 -10.154 1.683 -2.153 1.00 0.00 N ATOM 183 CA ALA A 391 -9.991 0.414 -1.442 1.00 0.00 C ATOM 184 C ALA A 391 -10.263 -0.767 -2.389 1.00 0.00 C ATOM 185 O ALA A 391 -11.388 -0.954 -2.860 1.00 0.00 O ATOM 186 CB ALA A 391 -10.927 0.399 -0.226 1.00 0.00 C ATOM 0 HA ALA A 391 -8.965 0.312 -1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 391 -10.812 -0.543 0.310 1.00 0.00 H new ATOM 0 HB2 ALA A 391 -10.675 1.227 0.437 1.00 0.00 H new ATOM 0 HB3 ALA A 391 -11.959 0.503 -0.560 1.00 0.00 H new ATOM 192 N GLY A 392 -9.216 -1.543 -2.682 1.00 0.00 N ATOM 193 CA GLY A 392 -9.242 -2.669 -3.623 1.00 0.00 C ATOM 194 C GLY A 392 -8.964 -2.257 -5.071 1.00 0.00 C ATOM 195 O GLY A 392 -8.831 -3.125 -5.935 1.00 0.00 O ATOM 0 H GLY A 392 -8.299 -1.402 -2.259 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -8.502 -3.408 -3.315 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -10.217 -3.154 -3.572 1.00 0.00 H new ATOM 199 N SER A 393 -8.840 -0.959 -5.340 1.00 0.00 N ATOM 200 CA SER A 393 -8.455 -0.405 -6.642 1.00 0.00 C ATOM 201 C SER A 393 -6.934 -0.515 -6.872 1.00 0.00 C ATOM 202 O SER A 393 -6.152 -0.653 -5.926 1.00 0.00 O ATOM 203 CB SER A 393 -8.915 1.061 -6.740 1.00 0.00 C ATOM 204 OG SER A 393 -10.318 1.209 -6.540 1.00 0.00 O ATOM 0 H SER A 393 -9.009 -0.239 -4.638 1.00 0.00 H new ATOM 0 HA SER A 393 -8.946 -0.986 -7.422 1.00 0.00 H new ATOM 0 HB2 SER A 393 -8.381 1.656 -5.999 1.00 0.00 H new ATOM 0 HB3 SER A 393 -8.647 1.457 -7.720 1.00 0.00 H new ATOM 0 HG SER A 393 -10.560 2.156 -6.610 1.00 0.00 H new ATOM 210 N GLN A 394 -6.502 -0.470 -8.137 1.00 0.00 N ATOM 211 CA GLN A 394 -5.101 -0.658 -8.545 1.00 0.00 C ATOM 212 C GLN A 394 -4.629 0.439 -9.520 1.00 0.00 C ATOM 213 O GLN A 394 -3.734 0.222 -10.340 1.00 0.00 O ATOM 214 CB GLN A 394 -4.893 -2.095 -9.071 1.00 0.00 C ATOM 215 CG GLN A 394 -4.937 -3.126 -7.930 1.00 0.00 C ATOM 216 CD GLN A 394 -4.720 -4.562 -8.410 1.00 0.00 C ATOM 217 OE1 GLN A 394 -5.596 -5.411 -8.299 1.00 0.00 O ATOM 218 NE2 GLN A 394 -3.559 -4.905 -8.929 1.00 0.00 N ATOM 0 H GLN A 394 -7.128 -0.298 -8.924 1.00 0.00 H new ATOM 0 HA GLN A 394 -4.459 -0.544 -7.672 1.00 0.00 H new ATOM 0 HB2 GLN A 394 -5.664 -2.330 -9.805 1.00 0.00 H new ATOM 0 HB3 GLN A 394 -3.934 -2.160 -9.585 1.00 0.00 H new ATOM 0 HG2 GLN A 394 -4.174 -2.876 -7.193 1.00 0.00 H new ATOM 0 HG3 GLN A 394 -5.901 -3.060 -7.425 1.00 0.00 H new ATOM 0 HE21 GLN A 394 -2.819 -4.210 -9.028 1.00 0.00 H new ATOM 0 HE22 GLN A 394 -3.400 -5.866 -9.232 1.00 0.00 H new ATOM 227 N LYS A 395 -5.223 1.635 -9.437 1.00 0.00 N ATOM 228 CA LYS A 395 -4.690 2.827 -10.106 1.00 0.00 C ATOM 229 C LYS A 395 -3.410 3.315 -9.399 1.00 0.00 C ATOM 230 O LYS A 395 -3.088 2.892 -8.284 1.00 0.00 O ATOM 231 CB LYS A 395 -5.729 3.961 -10.086 1.00 0.00 C ATOM 232 CG LYS A 395 -6.896 3.785 -11.064 1.00 0.00 C ATOM 233 CD LYS A 395 -7.873 4.971 -10.971 1.00 0.00 C ATOM 234 CE LYS A 395 -7.172 6.326 -11.186 1.00 0.00 C ATOM 235 NZ LYS A 395 -8.141 7.455 -11.184 1.00 0.00 N ATOM 0 H LYS A 395 -6.079 1.803 -8.909 1.00 0.00 H new ATOM 0 HA LYS A 395 -4.458 2.559 -11.137 1.00 0.00 H new ATOM 0 HB2 LYS A 395 -6.130 4.048 -9.076 1.00 0.00 H new ATOM 0 HB3 LYS A 395 -5.224 4.901 -10.311 1.00 0.00 H new ATOM 0 HG2 LYS A 395 -6.514 3.702 -12.081 1.00 0.00 H new ATOM 0 HG3 LYS A 395 -7.423 2.856 -10.845 1.00 0.00 H new ATOM 0 HD2 LYS A 395 -8.660 4.850 -11.716 1.00 0.00 H new ATOM 0 HD3 LYS A 395 -8.355 4.965 -9.994 1.00 0.00 H new ATOM 0 HE2 LYS A 395 -6.432 6.481 -10.401 1.00 0.00 H new ATOM 0 HE3 LYS A 395 -6.634 6.311 -12.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 -7.632 8.350 -11.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 -8.833 7.320 -11.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 -8.637 7.485 -10.270 1.00 0.00 H new ATOM 249 N GLU A 396 -2.717 4.278 -10.008 1.00 0.00 N ATOM 250 CA GLU A 396 -1.624 4.998 -9.369 1.00 0.00 C ATOM 251 C GLU A 396 -1.393 6.390 -9.969 1.00 0.00 C ATOM 252 O GLU A 396 -1.763 6.667 -11.114 1.00 0.00 O ATOM 253 CB GLU A 396 -0.342 4.148 -9.374 1.00 0.00 C ATOM 254 CG GLU A 396 0.149 3.775 -10.778 1.00 0.00 C ATOM 255 CD GLU A 396 1.470 3.012 -10.701 1.00 0.00 C ATOM 256 OE1 GLU A 396 1.468 1.792 -10.423 1.00 0.00 O ATOM 257 OE2 GLU A 396 2.529 3.631 -10.956 1.00 0.00 O ATOM 0 H GLU A 396 -2.902 4.579 -10.965 1.00 0.00 H new ATOM 0 HA GLU A 396 -1.915 5.171 -8.333 1.00 0.00 H new ATOM 0 HB2 GLU A 396 0.447 4.694 -8.857 1.00 0.00 H new ATOM 0 HB3 GLU A 396 -0.521 3.234 -8.807 1.00 0.00 H new ATOM 0 HG2 GLU A 396 -0.601 3.164 -11.281 1.00 0.00 H new ATOM 0 HG3 GLU A 396 0.278 4.677 -11.375 1.00 0.00 H new ATOM 264 N GLY A 397 -0.790 7.262 -9.159 1.00 0.00 N ATOM 265 CA GLY A 397 -0.507 8.663 -9.466 1.00 0.00 C ATOM 266 C GLY A 397 0.834 8.892 -10.186 1.00 0.00 C ATOM 267 O GLY A 397 1.369 7.963 -10.809 1.00 0.00 O ATOM 0 H GLY A 397 -0.471 6.997 -8.227 1.00 0.00 H new ATOM 0 HA2 GLY A 397 -1.312 9.057 -10.086 1.00 0.00 H new ATOM 0 HA3 GLY A 397 -0.511 9.235 -8.538 1.00 0.00 H new ATOM 271 N PRO A 398 1.393 10.120 -10.121 1.00 0.00 N ATOM 272 CA PRO A 398 2.661 10.467 -10.766 1.00 0.00 C ATOM 273 C PRO A 398 3.845 9.741 -10.113 1.00 0.00 C ATOM 274 O PRO A 398 3.720 9.178 -9.027 1.00 0.00 O ATOM 275 CB PRO A 398 2.768 11.992 -10.650 1.00 0.00 C ATOM 276 CG PRO A 398 1.981 12.312 -9.381 1.00 0.00 C ATOM 277 CD PRO A 398 0.862 11.271 -9.396 1.00 0.00 C ATOM 0 HA PRO A 398 2.688 10.152 -11.809 1.00 0.00 H new ATOM 0 HB2 PRO A 398 3.806 12.316 -10.571 1.00 0.00 H new ATOM 0 HB3 PRO A 398 2.344 12.491 -11.521 1.00 0.00 H new ATOM 0 HG2 PRO A 398 2.601 12.224 -8.489 1.00 0.00 H new ATOM 0 HG3 PRO A 398 1.587 13.328 -9.397 1.00 0.00 H new ATOM 0 HD2 PRO A 398 0.573 10.994 -8.382 1.00 0.00 H new ATOM 0 HD3 PRO A 398 -0.029 11.663 -9.886 1.00 0.00 H new ATOM 285 N GLU A 399 5.006 9.737 -10.774 1.00 0.00 N ATOM 286 CA GLU A 399 6.210 9.068 -10.266 1.00 0.00 C ATOM 287 C GLU A 399 6.655 9.666 -8.918 1.00 0.00 C ATOM 288 O GLU A 399 6.843 10.880 -8.786 1.00 0.00 O ATOM 289 CB GLU A 399 7.333 9.146 -11.314 1.00 0.00 C ATOM 290 CG GLU A 399 8.559 8.308 -10.924 1.00 0.00 C ATOM 291 CD GLU A 399 9.677 8.442 -11.969 1.00 0.00 C ATOM 292 OE1 GLU A 399 10.423 9.449 -11.938 1.00 0.00 O ATOM 293 OE2 GLU A 399 9.826 7.535 -12.821 1.00 0.00 O ATOM 0 H GLU A 399 5.139 10.196 -11.675 1.00 0.00 H new ATOM 0 HA GLU A 399 5.977 8.018 -10.087 1.00 0.00 H new ATOM 0 HB2 GLU A 399 6.953 8.802 -12.276 1.00 0.00 H new ATOM 0 HB3 GLU A 399 7.634 10.186 -11.443 1.00 0.00 H new ATOM 0 HG2 GLU A 399 8.928 8.629 -9.950 1.00 0.00 H new ATOM 0 HG3 GLU A 399 8.272 7.261 -10.827 1.00 0.00 H new ATOM 300 N GLY A 400 6.806 8.800 -7.909 1.00 0.00 N ATOM 301 CA GLY A 400 7.122 9.175 -6.523 1.00 0.00 C ATOM 302 C GLY A 400 5.889 9.297 -5.622 1.00 0.00 C ATOM 303 O GLY A 400 6.036 9.441 -4.411 1.00 0.00 O ATOM 0 H GLY A 400 6.710 7.793 -8.036 1.00 0.00 H new ATOM 0 HA2 GLY A 400 7.798 8.432 -6.100 1.00 0.00 H new ATOM 0 HA3 GLY A 400 7.655 10.126 -6.526 1.00 0.00 H new ATOM 307 N ALA A 401 4.678 9.194 -6.185 1.00 0.00 N ATOM 308 CA ALA A 401 3.408 9.146 -5.455 1.00 0.00 C ATOM 309 C ALA A 401 2.896 7.707 -5.239 1.00 0.00 C ATOM 310 O ALA A 401 1.708 7.502 -4.996 1.00 0.00 O ATOM 311 CB ALA A 401 2.390 10.023 -6.197 1.00 0.00 C ATOM 0 H ALA A 401 4.553 9.140 -7.196 1.00 0.00 H new ATOM 0 HA ALA A 401 3.562 9.539 -4.450 1.00 0.00 H new ATOM 0 HB1 ALA A 401 1.437 10.000 -5.669 1.00 0.00 H new ATOM 0 HB2 ALA A 401 2.757 11.049 -6.240 1.00 0.00 H new ATOM 0 HB3 ALA A 401 2.253 9.644 -7.210 1.00 0.00 H new ATOM 317 N ASN A 402 3.767 6.703 -5.367 1.00 0.00 N ATOM 318 CA ASN A 402 3.421 5.276 -5.438 1.00 0.00 C ATOM 319 C ASN A 402 4.229 4.491 -4.388 1.00 0.00 C ATOM 320 O ASN A 402 5.463 4.508 -4.412 1.00 0.00 O ATOM 321 CB ASN A 402 3.639 4.739 -6.877 1.00 0.00 C ATOM 322 CG ASN A 402 3.954 5.813 -7.921 1.00 0.00 C ATOM 323 OD1 ASN A 402 5.106 6.158 -8.161 1.00 0.00 O ATOM 324 ND2 ASN A 402 2.944 6.411 -8.522 1.00 0.00 N ATOM 0 H ASN A 402 4.772 6.865 -5.427 1.00 0.00 H new ATOM 0 HA ASN A 402 2.364 5.141 -5.206 1.00 0.00 H new ATOM 0 HB2 ASN A 402 4.456 4.017 -6.861 1.00 0.00 H new ATOM 0 HB3 ASN A 402 2.744 4.201 -7.189 1.00 0.00 H new ATOM 0 HD21 ASN A 402 3.120 7.163 -9.189 1.00 0.00 H new ATOM 0 HD22 ASN A 402 1.987 6.122 -8.320 1.00 0.00 H new ATOM 331 N LEU A 403 3.530 3.826 -3.461 1.00 0.00 N ATOM 332 CA LEU A 403 4.073 3.210 -2.245 1.00 0.00 C ATOM 333 C LEU A 403 3.717 1.724 -2.144 1.00 0.00 C ATOM 334 O LEU A 403 2.550 1.352 -2.277 1.00 0.00 O ATOM 335 CB LEU A 403 3.482 3.898 -0.993 1.00 0.00 C ATOM 336 CG LEU A 403 3.524 5.433 -0.924 1.00 0.00 C ATOM 337 CD1 LEU A 403 2.981 5.885 0.436 1.00 0.00 C ATOM 338 CD2 LEU A 403 4.945 5.961 -1.118 1.00 0.00 C ATOM 0 H LEU A 403 2.522 3.697 -3.542 1.00 0.00 H new ATOM 0 HA LEU A 403 5.156 3.326 -2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 403 2.441 3.588 -0.902 1.00 0.00 H new ATOM 0 HB3 LEU A 403 4.007 3.510 -0.120 1.00 0.00 H new ATOM 0 HG LEU A 403 2.908 5.836 -1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 403 3.007 6.973 0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 403 1.954 5.540 0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 403 3.596 5.464 1.231 1.00 0.00 H new ATOM 0 HD21 LEU A 403 4.939 7.050 -1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 403 5.591 5.562 -0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 403 5.319 5.648 -2.093 1.00 0.00 H new ATOM 350 N PHE A 404 4.707 0.898 -1.811 1.00 0.00 N ATOM 351 CA PHE A 404 4.536 -0.499 -1.421 1.00 0.00 C ATOM 352 C PHE A 404 4.727 -0.612 0.095 1.00 0.00 C ATOM 353 O PHE A 404 5.642 -0.015 0.669 1.00 0.00 O ATOM 354 CB PHE A 404 5.504 -1.391 -2.206 1.00 0.00 C ATOM 355 CG PHE A 404 5.081 -1.592 -3.647 1.00 0.00 C ATOM 356 CD1 PHE A 404 5.450 -0.661 -4.636 1.00 0.00 C ATOM 357 CD2 PHE A 404 4.271 -2.693 -3.990 1.00 0.00 C ATOM 358 CE1 PHE A 404 5.011 -0.834 -5.962 1.00 0.00 C ATOM 359 CE2 PHE A 404 3.840 -2.867 -5.317 1.00 0.00 C ATOM 360 CZ PHE A 404 4.211 -1.937 -6.304 1.00 0.00 C ATOM 0 H PHE A 404 5.683 1.194 -1.805 1.00 0.00 H new ATOM 0 HA PHE A 404 3.531 -0.845 -1.663 1.00 0.00 H new ATOM 0 HB2 PHE A 404 6.499 -0.947 -2.183 1.00 0.00 H new ATOM 0 HB3 PHE A 404 5.576 -2.361 -1.715 1.00 0.00 H new ATOM 0 HD1 PHE A 404 6.069 0.185 -4.378 1.00 0.00 H new ATOM 0 HD2 PHE A 404 3.981 -3.405 -3.232 1.00 0.00 H new ATOM 0 HE1 PHE A 404 5.290 -0.116 -6.719 1.00 0.00 H new ATOM 0 HE2 PHE A 404 3.224 -3.715 -5.578 1.00 0.00 H new ATOM 0 HZ PHE A 404 3.881 -2.070 -7.324 1.00 0.00 H new ATOM 370 N ILE A 405 3.822 -1.343 0.744 1.00 0.00 N ATOM 371 CA ILE A 405 3.662 -1.420 2.203 1.00 0.00 C ATOM 372 C ILE A 405 3.907 -2.867 2.644 1.00 0.00 C ATOM 373 O ILE A 405 3.408 -3.790 2.005 1.00 0.00 O ATOM 374 CB ILE A 405 2.225 -0.992 2.611 1.00 0.00 C ATOM 375 CG1 ILE A 405 1.626 0.224 1.860 1.00 0.00 C ATOM 376 CG2 ILE A 405 2.149 -0.770 4.132 1.00 0.00 C ATOM 377 CD1 ILE A 405 2.432 1.521 1.871 1.00 0.00 C ATOM 0 H ILE A 405 3.148 -1.926 0.248 1.00 0.00 H new ATOM 0 HA ILE A 405 4.375 -0.750 2.684 1.00 0.00 H new ATOM 0 HB ILE A 405 1.599 -1.829 2.302 1.00 0.00 H new ATOM 0 HG12 ILE A 405 1.468 -0.066 0.821 1.00 0.00 H new ATOM 0 HG13 ILE A 405 0.645 0.433 2.286 1.00 0.00 H new ATOM 0 HG21 ILE A 405 1.137 -0.470 4.406 1.00 0.00 H new ATOM 0 HG22 ILE A 405 2.406 -1.695 4.648 1.00 0.00 H new ATOM 0 HG23 ILE A 405 2.850 0.013 4.421 1.00 0.00 H new ATOM 0 HD11 ILE A 405 1.897 2.287 1.309 1.00 0.00 H new ATOM 0 HD12 ILE A 405 2.570 1.855 2.899 1.00 0.00 H new ATOM 0 HD13 ILE A 405 3.406 1.348 1.412 1.00 0.00 H new ATOM 389 N TYR A 406 4.628 -3.080 3.741 1.00 0.00 N ATOM 390 CA TYR A 406 5.016 -4.408 4.237 1.00 0.00 C ATOM 391 C TYR A 406 4.855 -4.537 5.762 1.00 0.00 C ATOM 392 O TYR A 406 4.774 -3.539 6.485 1.00 0.00 O ATOM 393 CB TYR A 406 6.468 -4.713 3.827 1.00 0.00 C ATOM 394 CG TYR A 406 6.830 -4.442 2.377 1.00 0.00 C ATOM 395 CD1 TYR A 406 6.628 -5.433 1.398 1.00 0.00 C ATOM 396 CD2 TYR A 406 7.394 -3.203 2.015 1.00 0.00 C ATOM 397 CE1 TYR A 406 6.992 -5.191 0.058 1.00 0.00 C ATOM 398 CE2 TYR A 406 7.755 -2.951 0.677 1.00 0.00 C ATOM 399 CZ TYR A 406 7.563 -3.949 -0.304 1.00 0.00 C ATOM 400 OH TYR A 406 7.939 -3.714 -1.593 1.00 0.00 O ATOM 0 H TYR A 406 4.970 -2.319 4.328 1.00 0.00 H new ATOM 0 HA TYR A 406 4.343 -5.136 3.784 1.00 0.00 H new ATOM 0 HB2 TYR A 406 7.133 -4.126 4.461 1.00 0.00 H new ATOM 0 HB3 TYR A 406 6.670 -5.763 4.039 1.00 0.00 H new ATOM 0 HD1 TYR A 406 6.193 -6.382 1.675 1.00 0.00 H new ATOM 0 HD2 TYR A 406 7.550 -2.443 2.766 1.00 0.00 H new ATOM 0 HE1 TYR A 406 6.835 -5.953 -0.691 1.00 0.00 H new ATOM 0 HE2 TYR A 406 8.178 -1.996 0.402 1.00 0.00 H new ATOM 0 HH TYR A 406 8.311 -2.810 -1.666 1.00 0.00 H new ATOM 410 N HIS A 407 4.814 -5.782 6.249 1.00 0.00 N ATOM 411 CA HIS A 407 4.666 -6.159 7.665 1.00 0.00 C ATOM 412 C HIS A 407 3.325 -5.692 8.282 1.00 0.00 C ATOM 413 O HIS A 407 3.256 -5.331 9.458 1.00 0.00 O ATOM 414 CB HIS A 407 5.911 -5.732 8.464 1.00 0.00 C ATOM 415 CG HIS A 407 7.192 -6.319 7.936 1.00 0.00 C ATOM 416 ND1 HIS A 407 7.675 -7.599 8.218 1.00 0.00 N ATOM 417 CD2 HIS A 407 8.048 -5.701 7.072 1.00 0.00 C ATOM 418 CE1 HIS A 407 8.813 -7.715 7.514 1.00 0.00 C ATOM 419 NE2 HIS A 407 9.062 -6.596 6.813 1.00 0.00 N ATOM 0 H HIS A 407 4.886 -6.596 5.639 1.00 0.00 H new ATOM 0 HA HIS A 407 4.610 -7.246 7.722 1.00 0.00 H new ATOM 0 HB2 HIS A 407 5.986 -4.645 8.451 1.00 0.00 H new ATOM 0 HB3 HIS A 407 5.785 -6.031 9.505 1.00 0.00 H new ATOM 0 HD2 HIS A 407 7.950 -4.704 6.669 1.00 0.00 H new ATOM 0 HE1 HIS A 407 9.444 -8.591 7.512 1.00 0.00 H new ATOM 0 HE2 HIS A 407 9.860 -6.438 6.198 1.00 0.00 H new ATOM 427 N LEU A 408 2.253 -5.688 7.479 1.00 0.00 N ATOM 428 CA LEU A 408 0.887 -5.326 7.889 1.00 0.00 C ATOM 429 C LEU A 408 0.276 -6.377 8.840 1.00 0.00 C ATOM 430 O LEU A 408 0.718 -7.534 8.849 1.00 0.00 O ATOM 431 CB LEU A 408 0.008 -5.144 6.630 1.00 0.00 C ATOM 432 CG LEU A 408 0.261 -3.831 5.860 1.00 0.00 C ATOM 433 CD1 LEU A 408 -0.298 -3.938 4.435 1.00 0.00 C ATOM 434 CD2 LEU A 408 -0.412 -2.643 6.565 1.00 0.00 C ATOM 0 H LEU A 408 2.313 -5.945 6.494 1.00 0.00 H new ATOM 0 HA LEU A 408 0.929 -4.388 8.442 1.00 0.00 H new ATOM 0 HB2 LEU A 408 0.180 -5.984 5.957 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -1.041 -5.181 6.925 1.00 0.00 H new ATOM 0 HG LEU A 408 1.338 -3.667 5.828 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -0.114 -3.006 3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 408 0.193 -4.759 3.912 1.00 0.00 H new ATOM 0 HD13 LEU A 408 -1.371 -4.126 4.478 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -0.219 -1.729 6.003 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -1.487 -2.814 6.621 1.00 0.00 H new ATOM 0 HD23 LEU A 408 -0.008 -2.541 7.572 1.00 0.00 H new ATOM 446 N PRO A 409 -0.746 -6.014 9.640 1.00 0.00 N ATOM 447 CA PRO A 409 -1.534 -6.977 10.403 1.00 0.00 C ATOM 448 C PRO A 409 -2.200 -8.007 9.480 1.00 0.00 C ATOM 449 O PRO A 409 -2.683 -7.671 8.401 1.00 0.00 O ATOM 450 CB PRO A 409 -2.573 -6.154 11.176 1.00 0.00 C ATOM 451 CG PRO A 409 -1.942 -4.768 11.260 1.00 0.00 C ATOM 452 CD PRO A 409 -1.182 -4.657 9.942 1.00 0.00 C ATOM 0 HA PRO A 409 -0.907 -7.553 11.084 1.00 0.00 H new ATOM 0 HB2 PRO A 409 -3.531 -6.128 10.656 1.00 0.00 H new ATOM 0 HB3 PRO A 409 -2.759 -6.571 12.166 1.00 0.00 H new ATOM 0 HG2 PRO A 409 -2.696 -3.987 11.358 1.00 0.00 H new ATOM 0 HG3 PRO A 409 -1.276 -4.679 12.119 1.00 0.00 H new ATOM 0 HD2 PRO A 409 -1.820 -4.263 9.151 1.00 0.00 H new ATOM 0 HD3 PRO A 409 -0.332 -3.981 10.033 1.00 0.00 H new ATOM 460 N GLN A 410 -2.271 -9.262 9.926 1.00 0.00 N ATOM 461 CA GLN A 410 -2.975 -10.354 9.235 1.00 0.00 C ATOM 462 C GLN A 410 -4.509 -10.190 9.221 1.00 0.00 C ATOM 463 O GLN A 410 -5.218 -10.936 8.544 1.00 0.00 O ATOM 464 CB GLN A 410 -2.570 -11.699 9.856 1.00 0.00 C ATOM 465 CG GLN A 410 -2.953 -11.887 11.340 1.00 0.00 C ATOM 466 CD GLN A 410 -1.955 -11.308 12.354 1.00 0.00 C ATOM 467 OE1 GLN A 410 -0.995 -10.615 12.029 1.00 0.00 O ATOM 468 NE2 GLN A 410 -2.142 -11.558 13.632 1.00 0.00 N ATOM 0 H GLN A 410 -1.832 -9.559 10.797 1.00 0.00 H new ATOM 0 HA GLN A 410 -2.670 -10.321 8.189 1.00 0.00 H new ATOM 0 HB2 GLN A 410 -3.028 -12.500 9.276 1.00 0.00 H new ATOM 0 HB3 GLN A 410 -1.490 -11.814 9.760 1.00 0.00 H new ATOM 0 HG2 GLN A 410 -3.926 -11.425 11.508 1.00 0.00 H new ATOM 0 HG3 GLN A 410 -3.068 -12.953 11.536 1.00 0.00 H new ATOM 0 HE21 GLN A 410 -2.932 -12.131 13.929 1.00 0.00 H new ATOM 0 HE22 GLN A 410 -1.497 -11.179 14.325 1.00 0.00 H new ATOM 477 N GLU A 411 -5.017 -9.215 9.977 1.00 0.00 N ATOM 478 CA GLU A 411 -6.433 -8.836 10.053 1.00 0.00 C ATOM 479 C GLU A 411 -6.803 -7.617 9.179 1.00 0.00 C ATOM 480 O GLU A 411 -7.985 -7.309 9.007 1.00 0.00 O ATOM 481 CB GLU A 411 -6.813 -8.591 11.520 1.00 0.00 C ATOM 482 CG GLU A 411 -6.117 -7.388 12.177 1.00 0.00 C ATOM 483 CD GLU A 411 -6.569 -7.234 13.637 1.00 0.00 C ATOM 484 OE1 GLU A 411 -5.932 -7.833 14.536 1.00 0.00 O ATOM 485 OE2 GLU A 411 -7.562 -6.515 13.896 1.00 0.00 O ATOM 0 H GLU A 411 -4.428 -8.641 10.581 1.00 0.00 H new ATOM 0 HA GLU A 411 -7.008 -9.667 9.646 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -7.892 -8.446 11.581 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -6.578 -9.487 12.095 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -5.036 -7.520 12.137 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -6.348 -6.479 11.621 1.00 0.00 H new ATOM 492 N PHE A 412 -5.800 -6.914 8.640 1.00 0.00 N ATOM 493 CA PHE A 412 -5.962 -5.679 7.859 1.00 0.00 C ATOM 494 C PHE A 412 -6.478 -5.956 6.438 1.00 0.00 C ATOM 495 O PHE A 412 -5.938 -6.810 5.727 1.00 0.00 O ATOM 496 CB PHE A 412 -4.624 -4.906 7.814 1.00 0.00 C ATOM 497 CG PHE A 412 -4.670 -3.510 8.404 1.00 0.00 C ATOM 498 CD1 PHE A 412 -5.014 -3.334 9.759 1.00 0.00 C ATOM 499 CD2 PHE A 412 -4.330 -2.391 7.619 1.00 0.00 C ATOM 500 CE1 PHE A 412 -5.017 -2.048 10.325 1.00 0.00 C ATOM 501 CE2 PHE A 412 -4.329 -1.106 8.189 1.00 0.00 C ATOM 502 CZ PHE A 412 -4.674 -0.934 9.540 1.00 0.00 C ATOM 0 H PHE A 412 -4.824 -7.196 8.737 1.00 0.00 H new ATOM 0 HA PHE A 412 -6.715 -5.067 8.356 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -3.869 -5.485 8.347 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -4.297 -4.835 6.776 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -5.276 -4.190 10.364 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -4.070 -2.520 6.579 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -5.283 -1.916 11.363 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -4.063 -0.250 7.587 1.00 0.00 H new ATOM 0 HZ PHE A 412 -4.676 0.054 9.975 1.00 0.00 H new ATOM 512 N GLY A 413 -7.498 -5.201 6.015 1.00 0.00 N ATOM 513 CA GLY A 413 -8.029 -5.183 4.647 1.00 0.00 C ATOM 514 C GLY A 413 -7.786 -3.859 3.922 1.00 0.00 C ATOM 515 O GLY A 413 -7.094 -2.964 4.407 1.00 0.00 O ATOM 0 H GLY A 413 -7.994 -4.563 6.638 1.00 0.00 H new ATOM 0 HA2 GLY A 413 -7.572 -5.991 4.076 1.00 0.00 H new ATOM 0 HA3 GLY A 413 -9.100 -5.381 4.678 1.00 0.00 H new ATOM 519 N ASP A 414 -8.381 -3.736 2.735 1.00 0.00 N ATOM 520 CA ASP A 414 -8.148 -2.616 1.812 1.00 0.00 C ATOM 521 C ASP A 414 -8.682 -1.276 2.339 1.00 0.00 C ATOM 522 O ASP A 414 -8.073 -0.232 2.110 1.00 0.00 O ATOM 523 CB ASP A 414 -8.806 -2.924 0.460 1.00 0.00 C ATOM 524 CG ASP A 414 -8.415 -4.288 -0.123 1.00 0.00 C ATOM 525 OD1 ASP A 414 -7.199 -4.573 -0.193 1.00 0.00 O ATOM 526 OD2 ASP A 414 -9.324 -5.062 -0.499 1.00 0.00 O ATOM 0 H ASP A 414 -9.049 -4.420 2.379 1.00 0.00 H new ATOM 0 HA ASP A 414 -7.068 -2.512 1.708 1.00 0.00 H new ATOM 0 HB2 ASP A 414 -9.889 -2.886 0.577 1.00 0.00 H new ATOM 0 HB3 ASP A 414 -8.535 -2.144 -0.252 1.00 0.00 H new ATOM 531 N GLN A 415 -9.803 -1.308 3.069 1.00 0.00 N ATOM 532 CA GLN A 415 -10.408 -0.119 3.677 1.00 0.00 C ATOM 533 C GLN A 415 -9.667 0.308 4.950 1.00 0.00 C ATOM 534 O GLN A 415 -9.577 1.503 5.229 1.00 0.00 O ATOM 535 CB GLN A 415 -11.895 -0.371 3.975 1.00 0.00 C ATOM 536 CG GLN A 415 -12.725 -0.498 2.688 1.00 0.00 C ATOM 537 CD GLN A 415 -14.198 -0.780 2.975 1.00 0.00 C ATOM 538 OE1 GLN A 415 -14.923 0.028 3.542 1.00 0.00 O ATOM 539 NE2 GLN A 415 -14.705 -1.934 2.591 1.00 0.00 N ATOM 0 H GLN A 415 -10.319 -2.168 3.255 1.00 0.00 H new ATOM 0 HA GLN A 415 -10.324 0.699 2.962 1.00 0.00 H new ATOM 0 HB2 GLN A 415 -11.998 -1.282 4.564 1.00 0.00 H new ATOM 0 HB3 GLN A 415 -12.287 0.446 4.581 1.00 0.00 H new ATOM 0 HG2 GLN A 415 -12.639 0.422 2.110 1.00 0.00 H new ATOM 0 HG3 GLN A 415 -12.317 -1.300 2.073 1.00 0.00 H new ATOM 0 HE21 GLN A 415 -14.115 -2.618 2.117 1.00 0.00 H new ATOM 0 HE22 GLN A 415 -15.688 -2.143 2.767 1.00 0.00 H new ATOM 548 N ASP A 416 -9.079 -0.639 5.691 1.00 0.00 N ATOM 549 CA ASP A 416 -8.231 -0.340 6.848 1.00 0.00 C ATOM 550 C ASP A 416 -6.941 0.361 6.399 1.00 0.00 C ATOM 551 O ASP A 416 -6.551 1.374 6.982 1.00 0.00 O ATOM 552 CB ASP A 416 -7.896 -1.621 7.626 1.00 0.00 C ATOM 553 CG ASP A 416 -9.140 -2.392 8.083 1.00 0.00 C ATOM 554 OD1 ASP A 416 -9.826 -1.931 9.027 1.00 0.00 O ATOM 555 OD2 ASP A 416 -9.407 -3.471 7.503 1.00 0.00 O ATOM 0 H ASP A 416 -9.179 -1.637 5.503 1.00 0.00 H new ATOM 0 HA ASP A 416 -8.782 0.328 7.509 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -7.284 -2.270 6.999 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -7.296 -1.362 8.498 1.00 0.00 H new ATOM 560 N LEU A 417 -6.321 -0.129 5.316 1.00 0.00 N ATOM 561 CA LEU A 417 -5.148 0.497 4.712 1.00 0.00 C ATOM 562 C LEU A 417 -5.481 1.875 4.126 1.00 0.00 C ATOM 563 O LEU A 417 -4.736 2.823 4.364 1.00 0.00 O ATOM 564 CB LEU A 417 -4.542 -0.456 3.664 1.00 0.00 C ATOM 565 CG LEU A 417 -3.156 -0.001 3.160 1.00 0.00 C ATOM 566 CD1 LEU A 417 -2.109 -0.049 4.282 1.00 0.00 C ATOM 567 CD2 LEU A 417 -2.700 -0.902 2.005 1.00 0.00 C ATOM 0 H LEU A 417 -6.625 -0.976 4.836 1.00 0.00 H new ATOM 0 HA LEU A 417 -4.401 0.675 5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 417 -4.455 -1.453 4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 417 -5.223 -0.534 2.816 1.00 0.00 H new ATOM 0 HG LEU A 417 -3.248 1.029 2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 417 -1.144 0.277 3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 417 -2.415 0.611 5.094 1.00 0.00 H new ATOM 0 HD13 LEU A 417 -2.023 -1.069 4.656 1.00 0.00 H new ATOM 0 HD21 LEU A 417 -1.721 -0.576 1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 417 -2.636 -1.933 2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 417 -3.419 -0.838 1.188 1.00 0.00 H new ATOM 579 N LEU A 418 -6.615 2.015 3.426 1.00 0.00 N ATOM 580 CA LEU A 418 -7.089 3.298 2.897 1.00 0.00 C ATOM 581 C LEU A 418 -7.261 4.332 4.017 1.00 0.00 C ATOM 582 O LEU A 418 -6.694 5.421 3.939 1.00 0.00 O ATOM 583 CB LEU A 418 -8.405 3.072 2.121 1.00 0.00 C ATOM 584 CG LEU A 418 -9.064 4.361 1.589 1.00 0.00 C ATOM 585 CD1 LEU A 418 -8.160 5.125 0.614 1.00 0.00 C ATOM 586 CD2 LEU A 418 -10.394 4.032 0.902 1.00 0.00 C ATOM 0 H LEU A 418 -7.233 1.233 3.210 1.00 0.00 H new ATOM 0 HA LEU A 418 -6.343 3.702 2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 418 -8.207 2.407 1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 418 -9.113 2.560 2.773 1.00 0.00 H new ATOM 0 HG LEU A 418 -9.238 5.005 2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 418 -8.673 6.023 0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 418 -7.235 5.405 1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 418 -7.928 4.490 -0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 418 -10.849 4.950 0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 418 -10.215 3.353 0.068 1.00 0.00 H new ATOM 0 HD23 LEU A 418 -11.066 3.558 1.618 1.00 0.00 H new ATOM 598 N GLN A 419 -8.025 4.005 5.062 1.00 0.00 N ATOM 599 CA GLN A 419 -8.367 4.965 6.114 1.00 0.00 C ATOM 600 C GLN A 419 -7.188 5.266 7.057 1.00 0.00 C ATOM 601 O GLN A 419 -7.165 6.337 7.665 1.00 0.00 O ATOM 602 CB GLN A 419 -9.610 4.486 6.879 1.00 0.00 C ATOM 603 CG GLN A 419 -10.866 4.531 5.987 1.00 0.00 C ATOM 604 CD GLN A 419 -12.160 4.124 6.697 1.00 0.00 C ATOM 605 OE1 GLN A 419 -12.192 3.670 7.836 1.00 0.00 O ATOM 606 NE2 GLN A 419 -13.296 4.290 6.047 1.00 0.00 N ATOM 0 H GLN A 419 -8.421 3.076 5.202 1.00 0.00 H new ATOM 0 HA GLN A 419 -8.601 5.914 5.632 1.00 0.00 H new ATOM 0 HB2 GLN A 419 -9.451 3.468 7.236 1.00 0.00 H new ATOM 0 HB3 GLN A 419 -9.763 5.112 7.758 1.00 0.00 H new ATOM 0 HG2 GLN A 419 -10.983 5.542 5.596 1.00 0.00 H new ATOM 0 HG3 GLN A 419 -10.713 3.873 5.131 1.00 0.00 H new ATOM 0 HE21 GLN A 419 -13.291 4.666 5.099 1.00 0.00 H new ATOM 0 HE22 GLN A 419 -14.179 4.042 6.493 1.00 0.00 H new ATOM 615 N MET A 420 -6.175 4.392 7.131 1.00 0.00 N ATOM 616 CA MET A 420 -4.915 4.673 7.836 1.00 0.00 C ATOM 617 C MET A 420 -3.978 5.606 7.046 1.00 0.00 C ATOM 618 O MET A 420 -3.151 6.286 7.653 1.00 0.00 O ATOM 619 CB MET A 420 -4.230 3.346 8.208 1.00 0.00 C ATOM 620 CG MET A 420 -3.038 3.567 9.146 1.00 0.00 C ATOM 621 SD MET A 420 -2.474 2.097 10.038 1.00 0.00 S ATOM 622 CE MET A 420 -1.564 1.270 8.713 1.00 0.00 C ATOM 0 H MET A 420 -6.206 3.467 6.702 1.00 0.00 H new ATOM 0 HA MET A 420 -5.154 5.218 8.749 1.00 0.00 H new ATOM 0 HB2 MET A 420 -4.952 2.685 8.687 1.00 0.00 H new ATOM 0 HB3 MET A 420 -3.892 2.844 7.301 1.00 0.00 H new ATOM 0 HG2 MET A 420 -2.205 3.960 8.562 1.00 0.00 H new ATOM 0 HG3 MET A 420 -3.306 4.333 9.874 1.00 0.00 H new ATOM 0 HE1 MET A 420 -1.358 0.239 9.002 1.00 0.00 H new ATOM 0 HE2 MET A 420 -2.161 1.279 7.801 1.00 0.00 H new ATOM 0 HE3 MET A 420 -0.624 1.792 8.536 1.00 0.00 H new ATOM 632 N PHE A 421 -4.131 5.686 5.717 1.00 0.00 N ATOM 633 CA PHE A 421 -3.298 6.498 4.818 1.00 0.00 C ATOM 634 C PHE A 421 -3.975 7.808 4.356 1.00 0.00 C ATOM 635 O PHE A 421 -3.281 8.745 3.957 1.00 0.00 O ATOM 636 CB PHE A 421 -2.799 5.613 3.660 1.00 0.00 C ATOM 637 CG PHE A 421 -1.567 4.773 3.992 1.00 0.00 C ATOM 638 CD1 PHE A 421 -1.625 3.739 4.949 1.00 0.00 C ATOM 639 CD2 PHE A 421 -0.339 5.036 3.348 1.00 0.00 C ATOM 640 CE1 PHE A 421 -0.481 2.976 5.246 1.00 0.00 C ATOM 641 CE2 PHE A 421 0.806 4.277 3.649 1.00 0.00 C ATOM 642 CZ PHE A 421 0.736 3.244 4.598 1.00 0.00 C ATOM 0 H PHE A 421 -4.860 5.172 5.222 1.00 0.00 H new ATOM 0 HA PHE A 421 -2.432 6.853 5.377 1.00 0.00 H new ATOM 0 HB2 PHE A 421 -3.606 4.947 3.354 1.00 0.00 H new ATOM 0 HB3 PHE A 421 -2.570 6.249 2.805 1.00 0.00 H new ATOM 0 HD1 PHE A 421 -2.555 3.531 5.458 1.00 0.00 H new ATOM 0 HD2 PHE A 421 -0.278 5.828 2.617 1.00 0.00 H new ATOM 0 HE1 PHE A 421 -0.539 2.181 5.975 1.00 0.00 H new ATOM 0 HE2 PHE A 421 1.740 4.489 3.150 1.00 0.00 H new ATOM 0 HZ PHE A 421 1.614 2.659 4.828 1.00 0.00 H new ATOM 652 N MET A 422 -5.299 7.944 4.505 1.00 0.00 N ATOM 653 CA MET A 422 -6.047 9.198 4.329 1.00 0.00 C ATOM 654 C MET A 422 -5.456 10.445 5.039 1.00 0.00 C ATOM 655 O MET A 422 -5.523 11.519 4.432 1.00 0.00 O ATOM 656 CB MET A 422 -7.488 8.981 4.818 1.00 0.00 C ATOM 657 CG MET A 422 -8.415 8.393 3.757 1.00 0.00 C ATOM 658 SD MET A 422 -10.075 8.096 4.418 1.00 0.00 S ATOM 659 CE MET A 422 -10.938 7.640 2.899 1.00 0.00 C ATOM 0 H MET A 422 -5.899 7.160 4.760 1.00 0.00 H new ATOM 0 HA MET A 422 -5.990 9.424 3.264 1.00 0.00 H new ATOM 0 HB2 MET A 422 -7.473 8.317 5.682 1.00 0.00 H new ATOM 0 HB3 MET A 422 -7.895 9.934 5.155 1.00 0.00 H new ATOM 0 HG2 MET A 422 -8.477 9.074 2.908 1.00 0.00 H new ATOM 0 HG3 MET A 422 -7.997 7.457 3.385 1.00 0.00 H new ATOM 0 HE1 MET A 422 -11.789 7.003 3.141 1.00 0.00 H new ATOM 0 HE2 MET A 422 -11.291 8.541 2.396 1.00 0.00 H new ATOM 0 HE3 MET A 422 -10.256 7.101 2.241 1.00 0.00 H new ATOM 669 N PRO A 423 -4.886 10.368 6.267 1.00 0.00 N ATOM 670 CA PRO A 423 -4.368 11.536 6.985 1.00 0.00 C ATOM 671 C PRO A 423 -3.211 12.276 6.298 1.00 0.00 C ATOM 672 O PRO A 423 -2.948 13.428 6.646 1.00 0.00 O ATOM 673 CB PRO A 423 -3.923 11.022 8.361 1.00 0.00 C ATOM 674 CG PRO A 423 -4.803 9.797 8.579 1.00 0.00 C ATOM 675 CD PRO A 423 -4.896 9.224 7.170 1.00 0.00 C ATOM 0 HA PRO A 423 -5.161 12.283 7.032 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -2.864 10.764 8.371 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -4.076 11.770 9.139 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -4.355 9.091 9.278 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -5.782 10.063 8.978 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -4.058 8.558 6.964 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -5.807 8.638 7.047 1.00 0.00 H new ATOM 683 N PHE A 424 -2.527 11.646 5.334 1.00 0.00 N ATOM 684 CA PHE A 424 -1.334 12.199 4.677 1.00 0.00 C ATOM 685 C PHE A 424 -1.639 12.874 3.328 1.00 0.00 C ATOM 686 O PHE A 424 -0.786 13.577 2.783 1.00 0.00 O ATOM 687 CB PHE A 424 -0.283 11.086 4.548 1.00 0.00 C ATOM 688 CG PHE A 424 -0.128 10.251 5.807 1.00 0.00 C ATOM 689 CD1 PHE A 424 0.242 10.862 7.020 1.00 0.00 C ATOM 690 CD2 PHE A 424 -0.449 8.882 5.789 1.00 0.00 C ATOM 691 CE1 PHE A 424 0.284 10.108 8.207 1.00 0.00 C ATOM 692 CE2 PHE A 424 -0.383 8.123 6.970 1.00 0.00 C ATOM 693 CZ PHE A 424 -0.021 8.736 8.181 1.00 0.00 C ATOM 0 H PHE A 424 -2.790 10.725 4.983 1.00 0.00 H new ATOM 0 HA PHE A 424 -0.939 13.002 5.300 1.00 0.00 H new ATOM 0 HB2 PHE A 424 -0.557 10.433 3.720 1.00 0.00 H new ATOM 0 HB3 PHE A 424 0.679 11.533 4.297 1.00 0.00 H new ATOM 0 HD1 PHE A 424 0.494 11.912 7.039 1.00 0.00 H new ATOM 0 HD2 PHE A 424 -0.748 8.412 4.864 1.00 0.00 H new ATOM 0 HE1 PHE A 424 0.551 10.584 9.139 1.00 0.00 H new ATOM 0 HE2 PHE A 424 -0.611 7.068 6.946 1.00 0.00 H new ATOM 0 HZ PHE A 424 0.023 8.155 9.090 1.00 0.00 H new ATOM 703 N GLY A 425 -2.866 12.708 2.818 1.00 0.00 N ATOM 704 CA GLY A 425 -3.401 13.410 1.643 1.00 0.00 C ATOM 705 C GLY A 425 -4.369 12.583 0.796 1.00 0.00 C ATOM 706 O GLY A 425 -4.900 11.562 1.235 1.00 0.00 O ATOM 0 H GLY A 425 -3.538 12.058 3.226 1.00 0.00 H new ATOM 0 HA2 GLY A 425 -3.911 14.314 1.977 1.00 0.00 H new ATOM 0 HA3 GLY A 425 -2.569 13.727 1.015 1.00 0.00 H new ATOM 710 N ASN A 426 -4.618 13.047 -0.431 1.00 0.00 N ATOM 711 CA ASN A 426 -5.595 12.453 -1.349 1.00 0.00 C ATOM 712 C ASN A 426 -5.101 11.108 -1.923 1.00 0.00 C ATOM 713 O ASN A 426 -4.294 11.082 -2.857 1.00 0.00 O ATOM 714 CB ASN A 426 -5.920 13.480 -2.451 1.00 0.00 C ATOM 715 CG ASN A 426 -7.002 13.011 -3.424 1.00 0.00 C ATOM 716 OD1 ASN A 426 -7.709 12.037 -3.196 1.00 0.00 O ATOM 717 ND2 ASN A 426 -7.168 13.703 -4.537 1.00 0.00 N ATOM 0 H ASN A 426 -4.139 13.859 -0.821 1.00 0.00 H new ATOM 0 HA ASN A 426 -6.510 12.217 -0.805 1.00 0.00 H new ATOM 0 HB2 ASN A 426 -6.241 14.411 -1.985 1.00 0.00 H new ATOM 0 HB3 ASN A 426 -5.011 13.700 -3.010 1.00 0.00 H new ATOM 0 HD21 ASN A 426 -7.885 13.426 -5.207 1.00 0.00 H new ATOM 0 HD22 ASN A 426 -6.579 14.514 -4.726 1.00 0.00 H new ATOM 724 N VAL A 427 -5.591 9.994 -1.368 1.00 0.00 N ATOM 725 CA VAL A 427 -5.281 8.623 -1.814 1.00 0.00 C ATOM 726 C VAL A 427 -6.069 8.299 -3.096 1.00 0.00 C ATOM 727 O VAL A 427 -7.291 8.432 -3.136 1.00 0.00 O ATOM 728 CB VAL A 427 -5.575 7.577 -0.707 1.00 0.00 C ATOM 729 CG1 VAL A 427 -5.320 6.142 -1.196 1.00 0.00 C ATOM 730 CG2 VAL A 427 -4.710 7.808 0.545 1.00 0.00 C ATOM 0 H VAL A 427 -6.232 10.017 -0.575 1.00 0.00 H new ATOM 0 HA VAL A 427 -4.214 8.570 -2.029 1.00 0.00 H new ATOM 0 HB VAL A 427 -6.628 7.702 -0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 427 -5.537 5.439 -0.392 1.00 0.00 H new ATOM 0 HG12 VAL A 427 -5.965 5.928 -2.049 1.00 0.00 H new ATOM 0 HG13 VAL A 427 -4.277 6.040 -1.495 1.00 0.00 H new ATOM 0 HG21 VAL A 427 -4.947 7.054 1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 427 -3.656 7.735 0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 427 -4.913 8.799 0.950 1.00 0.00 H new ATOM 740 N VAL A 428 -5.350 7.852 -4.126 1.00 0.00 N ATOM 741 CA VAL A 428 -5.870 7.423 -5.440 1.00 0.00 C ATOM 742 C VAL A 428 -6.271 5.938 -5.423 1.00 0.00 C ATOM 743 O VAL A 428 -7.262 5.561 -6.044 1.00 0.00 O ATOM 744 CB VAL A 428 -4.813 7.696 -6.545 1.00 0.00 C ATOM 745 CG1 VAL A 428 -5.115 7.020 -7.894 1.00 0.00 C ATOM 746 CG2 VAL A 428 -4.676 9.210 -6.782 1.00 0.00 C ATOM 0 H VAL A 428 -4.335 7.772 -4.071 1.00 0.00 H new ATOM 0 HA VAL A 428 -6.766 8.003 -5.660 1.00 0.00 H new ATOM 0 HB VAL A 428 -3.886 7.262 -6.169 1.00 0.00 H new ATOM 0 HG11 VAL A 428 -4.327 7.263 -8.607 1.00 0.00 H new ATOM 0 HG12 VAL A 428 -5.160 5.940 -7.757 1.00 0.00 H new ATOM 0 HG13 VAL A 428 -6.072 7.378 -8.274 1.00 0.00 H new ATOM 0 HG21 VAL A 428 -3.933 9.391 -7.558 1.00 0.00 H new ATOM 0 HG22 VAL A 428 -5.637 9.617 -7.097 1.00 0.00 H new ATOM 0 HG23 VAL A 428 -4.362 9.696 -5.858 1.00 0.00 H new ATOM 756 N SER A 429 -5.536 5.098 -4.690 1.00 0.00 N ATOM 757 CA SER A 429 -5.777 3.654 -4.537 1.00 0.00 C ATOM 758 C SER A 429 -5.042 3.111 -3.306 1.00 0.00 C ATOM 759 O SER A 429 -3.992 3.639 -2.935 1.00 0.00 O ATOM 760 CB SER A 429 -5.318 2.892 -5.790 1.00 0.00 C ATOM 761 OG SER A 429 -6.316 2.915 -6.799 1.00 0.00 O ATOM 0 H SER A 429 -4.722 5.415 -4.163 1.00 0.00 H new ATOM 0 HA SER A 429 -6.849 3.505 -4.405 1.00 0.00 H new ATOM 0 HB2 SER A 429 -4.399 3.337 -6.173 1.00 0.00 H new ATOM 0 HB3 SER A 429 -5.087 1.860 -5.527 1.00 0.00 H new ATOM 0 HG SER A 429 -6.820 3.753 -6.741 1.00 0.00 H new ATOM 767 N ALA A 430 -5.584 2.052 -2.696 1.00 0.00 N ATOM 768 CA ALA A 430 -5.026 1.342 -1.544 1.00 0.00 C ATOM 769 C ALA A 430 -5.521 -0.114 -1.534 1.00 0.00 C ATOM 770 O ALA A 430 -6.713 -0.374 -1.703 1.00 0.00 O ATOM 771 CB ALA A 430 -5.425 2.071 -0.255 1.00 0.00 C ATOM 0 H ALA A 430 -6.467 1.648 -3.009 1.00 0.00 H new ATOM 0 HA ALA A 430 -3.938 1.327 -1.612 1.00 0.00 H new ATOM 0 HB1 ALA A 430 -5.010 1.544 0.604 1.00 0.00 H new ATOM 0 HB2 ALA A 430 -5.037 3.089 -0.278 1.00 0.00 H new ATOM 0 HB3 ALA A 430 -6.512 2.099 -0.174 1.00 0.00 H new ATOM 777 N LYS A 431 -4.616 -1.074 -1.333 1.00 0.00 N ATOM 778 CA LYS A 431 -4.925 -2.504 -1.432 1.00 0.00 C ATOM 779 C LYS A 431 -3.984 -3.379 -0.587 1.00 0.00 C ATOM 780 O LYS A 431 -2.805 -3.063 -0.440 1.00 0.00 O ATOM 781 CB LYS A 431 -4.898 -2.910 -2.916 1.00 0.00 C ATOM 782 CG LYS A 431 -5.519 -4.298 -3.141 1.00 0.00 C ATOM 783 CD LYS A 431 -5.864 -4.500 -4.612 1.00 0.00 C ATOM 784 CE LYS A 431 -6.734 -5.752 -4.801 1.00 0.00 C ATOM 785 NZ LYS A 431 -7.407 -5.760 -6.127 1.00 0.00 N ATOM 0 H LYS A 431 -3.643 -0.881 -1.096 1.00 0.00 H new ATOM 0 HA LYS A 431 -5.920 -2.673 -1.020 1.00 0.00 H new ATOM 0 HB2 LYS A 431 -5.440 -2.170 -3.505 1.00 0.00 H new ATOM 0 HB3 LYS A 431 -3.868 -2.910 -3.274 1.00 0.00 H new ATOM 0 HG2 LYS A 431 -4.823 -5.071 -2.816 1.00 0.00 H new ATOM 0 HG3 LYS A 431 -6.418 -4.403 -2.533 1.00 0.00 H new ATOM 0 HD2 LYS A 431 -6.392 -3.624 -4.990 1.00 0.00 H new ATOM 0 HD3 LYS A 431 -4.948 -4.597 -5.195 1.00 0.00 H new ATOM 0 HE2 LYS A 431 -6.115 -6.644 -4.702 1.00 0.00 H new ATOM 0 HE3 LYS A 431 -7.485 -5.796 -4.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 -7.930 -6.651 -6.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 -8.068 -4.959 -6.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 -6.694 -5.675 -6.879 1.00 0.00 H new ATOM 799 N VAL A 432 -4.496 -4.497 -0.080 1.00 0.00 N ATOM 800 CA VAL A 432 -3.766 -5.548 0.647 1.00 0.00 C ATOM 801 C VAL A 432 -3.919 -6.850 -0.141 1.00 0.00 C ATOM 802 O VAL A 432 -5.031 -7.216 -0.526 1.00 0.00 O ATOM 803 CB VAL A 432 -4.298 -5.744 2.090 1.00 0.00 C ATOM 804 CG1 VAL A 432 -3.434 -6.769 2.849 1.00 0.00 C ATOM 805 CG2 VAL A 432 -4.314 -4.435 2.895 1.00 0.00 C ATOM 0 H VAL A 432 -5.489 -4.712 -0.167 1.00 0.00 H new ATOM 0 HA VAL A 432 -2.720 -5.254 0.734 1.00 0.00 H new ATOM 0 HB VAL A 432 -5.323 -6.103 1.992 1.00 0.00 H new ATOM 0 HG11 VAL A 432 -3.822 -6.894 3.860 1.00 0.00 H new ATOM 0 HG12 VAL A 432 -3.463 -7.726 2.328 1.00 0.00 H new ATOM 0 HG13 VAL A 432 -2.405 -6.413 2.897 1.00 0.00 H new ATOM 0 HG21 VAL A 432 -4.695 -4.629 3.898 1.00 0.00 H new ATOM 0 HG22 VAL A 432 -3.302 -4.037 2.962 1.00 0.00 H new ATOM 0 HG23 VAL A 432 -4.957 -3.709 2.397 1.00 0.00 H new ATOM 815 N PHE A 433 -2.807 -7.537 -0.402 1.00 0.00 N ATOM 816 CA PHE A 433 -2.787 -8.746 -1.228 1.00 0.00 C ATOM 817 C PHE A 433 -3.161 -9.993 -0.411 1.00 0.00 C ATOM 818 O PHE A 433 -2.829 -10.104 0.769 1.00 0.00 O ATOM 819 CB PHE A 433 -1.428 -8.843 -1.935 1.00 0.00 C ATOM 820 CG PHE A 433 -1.179 -7.668 -2.867 1.00 0.00 C ATOM 821 CD1 PHE A 433 -1.852 -7.590 -4.102 1.00 0.00 C ATOM 822 CD2 PHE A 433 -0.327 -6.616 -2.477 1.00 0.00 C ATOM 823 CE1 PHE A 433 -1.675 -6.472 -4.938 1.00 0.00 C ATOM 824 CE2 PHE A 433 -0.140 -5.504 -3.317 1.00 0.00 C ATOM 825 CZ PHE A 433 -0.816 -5.429 -4.546 1.00 0.00 C ATOM 0 H PHE A 433 -1.890 -7.270 -0.045 1.00 0.00 H new ATOM 0 HA PHE A 433 -3.553 -8.686 -2.002 1.00 0.00 H new ATOM 0 HB2 PHE A 433 -0.635 -8.887 -1.189 1.00 0.00 H new ATOM 0 HB3 PHE A 433 -1.382 -9.772 -2.504 1.00 0.00 H new ATOM 0 HD1 PHE A 433 -2.507 -8.392 -4.409 1.00 0.00 H new ATOM 0 HD2 PHE A 433 0.185 -6.664 -1.527 1.00 0.00 H new ATOM 0 HE1 PHE A 433 -2.199 -6.415 -5.881 1.00 0.00 H new ATOM 0 HE2 PHE A 433 0.524 -4.707 -3.017 1.00 0.00 H new ATOM 0 HZ PHE A 433 -0.677 -4.572 -5.189 1.00 0.00 H new ATOM 963 N LYS A 442 -1.436 -11.407 2.945 1.00 0.00 N ATOM 964 CA LYS A 442 -0.002 -11.724 2.861 1.00 0.00 C ATOM 965 C LYS A 442 0.891 -10.826 3.749 1.00 0.00 C ATOM 966 O LYS A 442 2.119 -10.910 3.675 1.00 0.00 O ATOM 967 CB LYS A 442 0.431 -11.663 1.383 1.00 0.00 C ATOM 968 CG LYS A 442 -0.285 -12.687 0.486 1.00 0.00 C ATOM 969 CD LYS A 442 0.273 -12.622 -0.944 1.00 0.00 C ATOM 970 CE LYS A 442 -0.416 -13.662 -1.834 1.00 0.00 C ATOM 971 NZ LYS A 442 0.128 -13.654 -3.218 1.00 0.00 N ATOM 0 HA LYS A 442 0.138 -12.730 3.256 1.00 0.00 H new ATOM 0 HB2 LYS A 442 0.240 -10.661 0.999 1.00 0.00 H new ATOM 0 HB3 LYS A 442 1.507 -11.829 1.322 1.00 0.00 H new ATOM 0 HG2 LYS A 442 -0.153 -13.691 0.890 1.00 0.00 H new ATOM 0 HG3 LYS A 442 -1.356 -12.486 0.476 1.00 0.00 H new ATOM 0 HD2 LYS A 442 0.121 -11.624 -1.355 1.00 0.00 H new ATOM 0 HD3 LYS A 442 1.348 -12.801 -0.930 1.00 0.00 H new ATOM 0 HE2 LYS A 442 -0.289 -14.653 -1.399 1.00 0.00 H new ATOM 0 HE3 LYS A 442 -1.487 -13.462 -1.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 442 -0.364 -14.371 -3.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 442 -0.016 -12.715 -3.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 442 1.145 -13.870 -3.192 1.00 0.00 H new ATOM 985 N CYS A 443 0.284 -9.927 4.537 1.00 0.00 N ATOM 986 CA CYS A 443 0.937 -8.878 5.340 1.00 0.00 C ATOM 987 C CYS A 443 1.704 -7.841 4.487 1.00 0.00 C ATOM 988 O CYS A 443 2.579 -7.149 5.007 1.00 0.00 O ATOM 989 CB CYS A 443 1.799 -9.501 6.457 1.00 0.00 C ATOM 990 SG CYS A 443 0.767 -10.526 7.548 1.00 0.00 S ATOM 0 H CYS A 443 -0.731 -9.910 4.638 1.00 0.00 H new ATOM 0 HA CYS A 443 0.146 -8.303 5.821 1.00 0.00 H new ATOM 0 HB2 CYS A 443 2.592 -10.107 6.019 1.00 0.00 H new ATOM 0 HB3 CYS A 443 2.282 -8.714 7.036 1.00 0.00 H new ATOM 0 HG CYS A 443 0.309 -9.797 8.522 1.00 0.00 H new ATOM 996 N PHE A 444 1.365 -7.694 3.201 1.00 0.00 N ATOM 997 CA PHE A 444 1.892 -6.642 2.327 1.00 0.00 C ATOM 998 C PHE A 444 0.813 -6.101 1.376 1.00 0.00 C ATOM 999 O PHE A 444 -0.188 -6.764 1.094 1.00 0.00 O ATOM 1000 CB PHE A 444 3.178 -7.105 1.615 1.00 0.00 C ATOM 1001 CG PHE A 444 3.016 -8.115 0.494 1.00 0.00 C ATOM 1002 CD1 PHE A 444 2.674 -7.681 -0.801 1.00 0.00 C ATOM 1003 CD2 PHE A 444 3.281 -9.479 0.721 1.00 0.00 C ATOM 1004 CE1 PHE A 444 2.565 -8.605 -1.855 1.00 0.00 C ATOM 1005 CE2 PHE A 444 3.193 -10.400 -0.338 1.00 0.00 C ATOM 1006 CZ PHE A 444 2.825 -9.967 -1.624 1.00 0.00 C ATOM 0 H PHE A 444 0.705 -8.314 2.731 1.00 0.00 H new ATOM 0 HA PHE A 444 2.182 -5.792 2.945 1.00 0.00 H new ATOM 0 HB2 PHE A 444 3.677 -6.225 1.209 1.00 0.00 H new ATOM 0 HB3 PHE A 444 3.845 -7.533 2.363 1.00 0.00 H new ATOM 0 HD1 PHE A 444 2.494 -6.632 -0.986 1.00 0.00 H new ATOM 0 HD2 PHE A 444 3.552 -9.818 1.710 1.00 0.00 H new ATOM 0 HE1 PHE A 444 2.282 -8.269 -2.841 1.00 0.00 H new ATOM 0 HE2 PHE A 444 3.409 -11.444 -0.163 1.00 0.00 H new ATOM 0 HZ PHE A 444 2.742 -10.679 -2.432 1.00 0.00 H new ATOM 1016 N GLY A 445 1.014 -4.862 0.927 1.00 0.00 N ATOM 1017 CA GLY A 445 0.045 -4.050 0.194 1.00 0.00 C ATOM 1018 C GLY A 445 0.677 -2.944 -0.652 1.00 0.00 C ATOM 1019 O GLY A 445 1.897 -2.855 -0.794 1.00 0.00 O ATOM 0 H GLY A 445 1.899 -4.375 1.072 1.00 0.00 H new ATOM 0 HA2 GLY A 445 -0.542 -4.700 -0.455 1.00 0.00 H new ATOM 0 HA3 GLY A 445 -0.648 -3.599 0.904 1.00 0.00 H new ATOM 1023 N PHE A 446 -0.177 -2.087 -1.206 1.00 0.00 N ATOM 1024 CA PHE A 446 0.176 -0.959 -2.067 1.00 0.00 C ATOM 1025 C PHE A 446 -0.759 0.229 -1.797 1.00 0.00 C ATOM 1026 O PHE A 446 -1.932 0.029 -1.487 1.00 0.00 O ATOM 1027 CB PHE A 446 0.103 -1.413 -3.536 1.00 0.00 C ATOM 1028 CG PHE A 446 0.307 -0.295 -4.543 1.00 0.00 C ATOM 1029 CD1 PHE A 446 1.609 0.111 -4.895 1.00 0.00 C ATOM 1030 CD2 PHE A 446 -0.803 0.372 -5.097 1.00 0.00 C ATOM 1031 CE1 PHE A 446 1.802 1.178 -5.790 1.00 0.00 C ATOM 1032 CE2 PHE A 446 -0.609 1.439 -5.994 1.00 0.00 C ATOM 1033 CZ PHE A 446 0.693 1.842 -6.340 1.00 0.00 C ATOM 0 H PHE A 446 -1.184 -2.163 -1.060 1.00 0.00 H new ATOM 0 HA PHE A 446 1.192 -0.628 -1.852 1.00 0.00 H new ATOM 0 HB2 PHE A 446 0.857 -2.181 -3.705 1.00 0.00 H new ATOM 0 HB3 PHE A 446 -0.868 -1.875 -3.714 1.00 0.00 H new ATOM 0 HD1 PHE A 446 2.463 -0.400 -4.475 1.00 0.00 H new ATOM 0 HD2 PHE A 446 -1.804 0.064 -4.833 1.00 0.00 H new ATOM 0 HE1 PHE A 446 2.802 1.487 -6.055 1.00 0.00 H new ATOM 0 HE2 PHE A 446 -1.462 1.949 -6.417 1.00 0.00 H new ATOM 0 HZ PHE A 446 0.840 2.661 -7.028 1.00 0.00 H new ATOM 1043 N VAL A 447 -0.249 1.456 -1.933 1.00 0.00 N ATOM 1044 CA VAL A 447 -0.997 2.721 -1.797 1.00 0.00 C ATOM 1045 C VAL A 447 -0.450 3.735 -2.809 1.00 0.00 C ATOM 1046 O VAL A 447 0.748 3.750 -3.071 1.00 0.00 O ATOM 1047 CB VAL A 447 -0.918 3.303 -0.359 1.00 0.00 C ATOM 1048 CG1 VAL A 447 -1.719 4.611 -0.209 1.00 0.00 C ATOM 1049 CG2 VAL A 447 -1.441 2.321 0.704 1.00 0.00 C ATOM 0 H VAL A 447 0.736 1.608 -2.150 1.00 0.00 H new ATOM 0 HA VAL A 447 -2.049 2.515 -1.997 1.00 0.00 H new ATOM 0 HB VAL A 447 0.143 3.494 -0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 447 -1.631 4.976 0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 447 -1.325 5.360 -0.897 1.00 0.00 H new ATOM 0 HG13 VAL A 447 -2.768 4.424 -0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 447 -1.363 2.778 1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 447 -2.484 2.081 0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 447 -0.847 1.407 0.679 1.00 0.00 H new ATOM 1059 N SER A 448 -1.290 4.605 -3.368 1.00 0.00 N ATOM 1060 CA SER A 448 -0.840 5.710 -4.234 1.00 0.00 C ATOM 1061 C SER A 448 -1.665 6.986 -4.035 1.00 0.00 C ATOM 1062 O SER A 448 -2.842 6.924 -3.679 1.00 0.00 O ATOM 1063 CB SER A 448 -0.860 5.274 -5.708 1.00 0.00 C ATOM 1064 OG SER A 448 -0.077 6.112 -6.549 1.00 0.00 O ATOM 0 H SER A 448 -2.301 4.570 -3.238 1.00 0.00 H new ATOM 0 HA SER A 448 0.183 5.950 -3.945 1.00 0.00 H new ATOM 0 HB2 SER A 448 -0.493 4.250 -5.783 1.00 0.00 H new ATOM 0 HB3 SER A 448 -1.890 5.271 -6.066 1.00 0.00 H new ATOM 0 HG SER A 448 0.664 6.493 -6.033 1.00 0.00 H new ATOM 1070 N TYR A 449 -1.055 8.148 -4.279 1.00 0.00 N ATOM 1071 CA TYR A 449 -1.608 9.483 -4.024 1.00 0.00 C ATOM 1072 C TYR A 449 -1.703 10.351 -5.287 1.00 0.00 C ATOM 1073 O TYR A 449 -1.051 10.095 -6.299 1.00 0.00 O ATOM 1074 CB TYR A 449 -0.729 10.209 -2.995 1.00 0.00 C ATOM 1075 CG TYR A 449 -0.823 9.671 -1.587 1.00 0.00 C ATOM 1076 CD1 TYR A 449 -0.071 8.544 -1.202 1.00 0.00 C ATOM 1077 CD2 TYR A 449 -1.681 10.299 -0.663 1.00 0.00 C ATOM 1078 CE1 TYR A 449 -0.158 8.062 0.114 1.00 0.00 C ATOM 1079 CE2 TYR A 449 -1.779 9.815 0.652 1.00 0.00 C ATOM 1080 CZ TYR A 449 -1.012 8.696 1.040 1.00 0.00 C ATOM 1081 OH TYR A 449 -1.109 8.211 2.300 1.00 0.00 O ATOM 0 H TYR A 449 -0.117 8.187 -4.679 1.00 0.00 H new ATOM 0 HA TYR A 449 -2.622 9.337 -3.651 1.00 0.00 H new ATOM 0 HB2 TYR A 449 0.309 10.153 -3.321 1.00 0.00 H new ATOM 0 HB3 TYR A 449 -1.003 11.264 -2.984 1.00 0.00 H new ATOM 0 HD1 TYR A 449 0.571 8.052 -1.917 1.00 0.00 H new ATOM 0 HD2 TYR A 449 -2.265 11.155 -0.967 1.00 0.00 H new ATOM 0 HE1 TYR A 449 0.428 7.207 0.417 1.00 0.00 H new ATOM 0 HE2 TYR A 449 -2.437 10.296 1.361 1.00 0.00 H new ATOM 0 HH TYR A 449 -1.939 8.531 2.711 1.00 0.00 H new ATOM 1091 N ASP A 450 -2.475 11.435 -5.196 1.00 0.00 N ATOM 1092 CA ASP A 450 -2.578 12.468 -6.234 1.00 0.00 C ATOM 1093 C ASP A 450 -1.280 13.290 -6.404 1.00 0.00 C ATOM 1094 O ASP A 450 -1.078 13.900 -7.455 1.00 0.00 O ATOM 1095 CB ASP A 450 -3.773 13.366 -5.883 1.00 0.00 C ATOM 1096 CG ASP A 450 -4.107 14.395 -6.977 1.00 0.00 C ATOM 1097 OD1 ASP A 450 -4.421 13.980 -8.119 1.00 0.00 O ATOM 1098 OD2 ASP A 450 -4.110 15.611 -6.671 1.00 0.00 O ATOM 0 H ASP A 450 -3.060 11.626 -4.382 1.00 0.00 H new ATOM 0 HA ASP A 450 -2.732 11.985 -7.199 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -4.648 12.741 -5.704 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -3.561 13.892 -4.952 1.00 0.00 H new ATOM 1103 N ASN A 451 -0.380 13.274 -5.407 1.00 0.00 N ATOM 1104 CA ASN A 451 0.891 14.013 -5.403 1.00 0.00 C ATOM 1105 C ASN A 451 2.020 13.234 -4.680 1.00 0.00 C ATOM 1106 O ASN A 451 1.738 12.519 -3.712 1.00 0.00 O ATOM 1107 CB ASN A 451 0.715 15.385 -4.722 1.00 0.00 C ATOM 1108 CG ASN A 451 -0.410 16.232 -5.313 1.00 0.00 C ATOM 1109 OD1 ASN A 451 -0.255 16.866 -6.351 1.00 0.00 O ATOM 1110 ND2 ASN A 451 -1.556 16.282 -4.657 1.00 0.00 N ATOM 0 H ASN A 451 -0.522 12.730 -4.556 1.00 0.00 H new ATOM 0 HA ASN A 451 1.180 14.146 -6.446 1.00 0.00 H new ATOM 0 HB2 ASN A 451 0.520 15.230 -3.661 1.00 0.00 H new ATOM 0 HB3 ASN A 451 1.651 15.939 -4.797 1.00 0.00 H new ATOM 0 HD21 ASN A 451 -2.323 16.852 -5.013 1.00 0.00 H new ATOM 0 HD22 ASN A 451 -1.674 15.750 -3.795 1.00 0.00 H new ATOM 1117 N PRO A 452 3.304 13.416 -5.073 1.00 0.00 N ATOM 1118 CA PRO A 452 4.456 12.781 -4.420 1.00 0.00 C ATOM 1119 C PRO A 452 4.674 13.233 -2.970 1.00 0.00 C ATOM 1120 O PRO A 452 5.184 12.470 -2.159 1.00 0.00 O ATOM 1121 CB PRO A 452 5.687 13.153 -5.259 1.00 0.00 C ATOM 1122 CG PRO A 452 5.125 13.670 -6.578 1.00 0.00 C ATOM 1123 CD PRO A 452 3.755 14.219 -6.201 1.00 0.00 C ATOM 0 HA PRO A 452 4.279 11.707 -4.369 1.00 0.00 H new ATOM 0 HB2 PRO A 452 6.288 13.914 -4.761 1.00 0.00 H new ATOM 0 HB3 PRO A 452 6.333 12.289 -5.417 1.00 0.00 H new ATOM 0 HG2 PRO A 452 5.761 14.444 -7.008 1.00 0.00 H new ATOM 0 HG3 PRO A 452 5.047 12.874 -7.319 1.00 0.00 H new ATOM 0 HD2 PRO A 452 3.817 15.273 -5.931 1.00 0.00 H new ATOM 0 HD3 PRO A 452 3.060 14.144 -7.037 1.00 0.00 H new ATOM 1131 N VAL A 453 4.285 14.464 -2.632 1.00 0.00 N ATOM 1132 CA VAL A 453 4.499 15.055 -1.295 1.00 0.00 C ATOM 1133 C VAL A 453 3.546 14.435 -0.265 1.00 0.00 C ATOM 1134 O VAL A 453 3.962 14.125 0.849 1.00 0.00 O ATOM 1135 CB VAL A 453 4.366 16.598 -1.331 1.00 0.00 C ATOM 1136 CG1 VAL A 453 4.607 17.236 0.049 1.00 0.00 C ATOM 1137 CG2 VAL A 453 5.361 17.210 -2.337 1.00 0.00 C ATOM 0 H VAL A 453 3.807 15.091 -3.280 1.00 0.00 H new ATOM 0 HA VAL A 453 5.519 14.825 -0.987 1.00 0.00 H new ATOM 0 HB VAL A 453 3.342 16.811 -1.639 1.00 0.00 H new ATOM 0 HG11 VAL A 453 4.503 18.318 -0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 453 3.877 16.851 0.761 1.00 0.00 H new ATOM 0 HG13 VAL A 453 5.612 16.992 0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 453 5.249 18.294 -2.345 1.00 0.00 H new ATOM 0 HG22 VAL A 453 6.379 16.952 -2.045 1.00 0.00 H new ATOM 0 HG23 VAL A 453 5.159 16.817 -3.333 1.00 0.00 H new ATOM 1147 N SER A 454 2.296 14.161 -0.654 1.00 0.00 N ATOM 1148 CA SER A 454 1.325 13.414 0.162 1.00 0.00 C ATOM 1149 C SER A 454 1.799 11.977 0.436 1.00 0.00 C ATOM 1150 O SER A 454 1.612 11.439 1.528 1.00 0.00 O ATOM 1151 CB SER A 454 -0.023 13.358 -0.573 1.00 0.00 C ATOM 1152 OG SER A 454 -0.442 14.633 -1.052 1.00 0.00 O ATOM 0 H SER A 454 1.923 14.455 -1.557 1.00 0.00 H new ATOM 0 HA SER A 454 1.224 13.931 1.116 1.00 0.00 H new ATOM 0 HB2 SER A 454 0.054 12.667 -1.412 1.00 0.00 H new ATOM 0 HB3 SER A 454 -0.783 12.960 0.100 1.00 0.00 H new ATOM 0 HG SER A 454 -1.302 14.543 -1.513 1.00 0.00 H new ATOM 1158 N ALA A 455 2.480 11.376 -0.546 1.00 0.00 N ATOM 1159 CA ALA A 455 3.067 10.046 -0.451 1.00 0.00 C ATOM 1160 C ALA A 455 4.308 10.027 0.459 1.00 0.00 C ATOM 1161 O ALA A 455 4.387 9.206 1.368 1.00 0.00 O ATOM 1162 CB ALA A 455 3.364 9.595 -1.883 1.00 0.00 C ATOM 0 H ALA A 455 2.639 11.818 -1.451 1.00 0.00 H new ATOM 0 HA ALA A 455 2.377 9.347 0.022 1.00 0.00 H new ATOM 0 HB1 ALA A 455 3.807 8.599 -1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 455 2.437 9.570 -2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 455 4.059 10.294 -2.348 1.00 0.00 H new ATOM 1168 N GLN A 456 5.242 10.966 0.282 1.00 0.00 N ATOM 1169 CA GLN A 456 6.432 11.113 1.132 1.00 0.00 C ATOM 1170 C GLN A 456 6.065 11.383 2.599 1.00 0.00 C ATOM 1171 O GLN A 456 6.729 10.872 3.504 1.00 0.00 O ATOM 1172 CB GLN A 456 7.313 12.251 0.584 1.00 0.00 C ATOM 1173 CG GLN A 456 8.095 11.869 -0.687 1.00 0.00 C ATOM 1174 CD GLN A 456 9.321 10.984 -0.432 1.00 0.00 C ATOM 1175 OE1 GLN A 456 9.546 10.448 0.645 1.00 0.00 O ATOM 1176 NE2 GLN A 456 10.175 10.803 -1.418 1.00 0.00 N ATOM 0 H GLN A 456 5.194 11.657 -0.467 1.00 0.00 H new ATOM 0 HA GLN A 456 6.982 10.172 1.108 1.00 0.00 H new ATOM 0 HB2 GLN A 456 6.684 13.114 0.367 1.00 0.00 H new ATOM 0 HB3 GLN A 456 8.019 12.557 1.356 1.00 0.00 H new ATOM 0 HG2 GLN A 456 7.423 11.350 -1.371 1.00 0.00 H new ATOM 0 HG3 GLN A 456 8.418 12.781 -1.189 1.00 0.00 H new ATOM 0 HE21 GLN A 456 10.008 11.240 -2.324 1.00 0.00 H new ATOM 0 HE22 GLN A 456 11.004 10.226 -1.275 1.00 0.00 H new ATOM 1185 N ALA A 457 4.986 12.132 2.855 1.00 0.00 N ATOM 1186 CA ALA A 457 4.449 12.344 4.199 1.00 0.00 C ATOM 1187 C ALA A 457 3.917 11.048 4.837 1.00 0.00 C ATOM 1188 O ALA A 457 4.012 10.888 6.056 1.00 0.00 O ATOM 1189 CB ALA A 457 3.359 13.418 4.119 1.00 0.00 C ATOM 0 H ALA A 457 4.458 12.612 2.126 1.00 0.00 H new ATOM 0 HA ALA A 457 5.256 12.679 4.850 1.00 0.00 H new ATOM 0 HB1 ALA A 457 2.945 13.591 5.112 1.00 0.00 H new ATOM 0 HB2 ALA A 457 3.789 14.345 3.738 1.00 0.00 H new ATOM 0 HB3 ALA A 457 2.567 13.083 3.449 1.00 0.00 H new ATOM 1195 N ALA A 458 3.423 10.099 4.032 1.00 0.00 N ATOM 1196 CA ALA A 458 2.994 8.789 4.508 1.00 0.00 C ATOM 1197 C ALA A 458 4.197 7.895 4.830 1.00 0.00 C ATOM 1198 O ALA A 458 4.214 7.288 5.896 1.00 0.00 O ATOM 1199 CB ALA A 458 2.057 8.153 3.478 1.00 0.00 C ATOM 0 H ALA A 458 3.311 10.225 3.026 1.00 0.00 H new ATOM 0 HA ALA A 458 2.442 8.908 5.441 1.00 0.00 H new ATOM 0 HB1 ALA A 458 1.736 7.174 3.834 1.00 0.00 H new ATOM 0 HB2 ALA A 458 1.185 8.791 3.337 1.00 0.00 H new ATOM 0 HB3 ALA A 458 2.582 8.040 2.529 1.00 0.00 H new ATOM 1205 N ILE A 459 5.244 7.870 3.990 1.00 0.00 N ATOM 1206 CA ILE A 459 6.478 7.099 4.277 1.00 0.00 C ATOM 1207 C ILE A 459 7.090 7.548 5.610 1.00 0.00 C ATOM 1208 O ILE A 459 7.396 6.715 6.461 1.00 0.00 O ATOM 1209 CB ILE A 459 7.532 7.197 3.143 1.00 0.00 C ATOM 1210 CG1 ILE A 459 6.925 6.876 1.762 1.00 0.00 C ATOM 1211 CG2 ILE A 459 8.709 6.235 3.427 1.00 0.00 C ATOM 1212 CD1 ILE A 459 7.920 7.022 0.608 1.00 0.00 C ATOM 0 H ILE A 459 5.267 8.374 3.103 1.00 0.00 H new ATOM 0 HA ILE A 459 6.183 6.052 4.343 1.00 0.00 H new ATOM 0 HB ILE A 459 7.891 8.226 3.121 1.00 0.00 H new ATOM 0 HG12 ILE A 459 6.539 5.857 1.772 1.00 0.00 H new ATOM 0 HG13 ILE A 459 6.076 7.536 1.585 1.00 0.00 H new ATOM 0 HG21 ILE A 459 9.443 6.312 2.625 1.00 0.00 H new ATOM 0 HG22 ILE A 459 9.177 6.503 4.374 1.00 0.00 H new ATOM 0 HG23 ILE A 459 8.337 5.212 3.482 1.00 0.00 H new ATOM 0 HD11 ILE A 459 7.424 6.781 -0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 459 8.287 8.048 0.572 1.00 0.00 H new ATOM 0 HD13 ILE A 459 8.758 6.342 0.762 1.00 0.00 H new ATOM 1224 N GLN A 460 7.199 8.862 5.821 1.00 0.00 N ATOM 1225 CA GLN A 460 7.778 9.448 7.036 1.00 0.00 C ATOM 1226 C GLN A 460 6.904 9.250 8.291 1.00 0.00 C ATOM 1227 O GLN A 460 7.401 9.399 9.407 1.00 0.00 O ATOM 1228 CB GLN A 460 8.043 10.942 6.789 1.00 0.00 C ATOM 1229 CG GLN A 460 9.189 11.177 5.790 1.00 0.00 C ATOM 1230 CD GLN A 460 9.264 12.643 5.362 1.00 0.00 C ATOM 1231 OE1 GLN A 460 10.044 13.439 5.874 1.00 0.00 O ATOM 1232 NE2 GLN A 460 8.447 13.053 4.415 1.00 0.00 N ATOM 0 H GLN A 460 6.884 9.559 5.146 1.00 0.00 H new ATOM 0 HA GLN A 460 8.711 8.923 7.242 1.00 0.00 H new ATOM 0 HB2 GLN A 460 7.134 11.412 6.413 1.00 0.00 H new ATOM 0 HB3 GLN A 460 8.284 11.427 7.735 1.00 0.00 H new ATOM 0 HG2 GLN A 460 10.135 10.880 6.243 1.00 0.00 H new ATOM 0 HG3 GLN A 460 9.044 10.547 4.912 1.00 0.00 H new ATOM 0 HE21 GLN A 460 7.795 12.397 3.984 1.00 0.00 H new ATOM 0 HE22 GLN A 460 8.465 14.027 4.112 1.00 0.00 H new ATOM 1241 N SER A 461 5.626 8.889 8.138 1.00 0.00 N ATOM 1242 CA SER A 461 4.695 8.647 9.254 1.00 0.00 C ATOM 1243 C SER A 461 4.409 7.157 9.522 1.00 0.00 C ATOM 1244 O SER A 461 4.021 6.797 10.636 1.00 0.00 O ATOM 1245 CB SER A 461 3.369 9.365 8.982 1.00 0.00 C ATOM 1246 OG SER A 461 3.543 10.769 8.851 1.00 0.00 O ATOM 0 H SER A 461 5.199 8.754 7.222 1.00 0.00 H new ATOM 0 HA SER A 461 5.186 9.038 10.145 1.00 0.00 H new ATOM 0 HB2 SER A 461 2.922 8.968 8.071 1.00 0.00 H new ATOM 0 HB3 SER A 461 2.672 9.160 9.795 1.00 0.00 H new ATOM 0 HG SER A 461 3.722 10.990 7.913 1.00 0.00 H new ATOM 1252 N MET A 462 4.596 6.289 8.520 1.00 0.00 N ATOM 1253 CA MET A 462 4.196 4.873 8.547 1.00 0.00 C ATOM 1254 C MET A 462 5.381 3.899 8.531 1.00 0.00 C ATOM 1255 O MET A 462 5.236 2.772 8.999 1.00 0.00 O ATOM 1256 CB MET A 462 3.261 4.573 7.363 1.00 0.00 C ATOM 1257 CG MET A 462 1.954 5.381 7.348 1.00 0.00 C ATOM 1258 SD MET A 462 0.500 4.612 8.117 1.00 0.00 S ATOM 1259 CE MET A 462 0.970 4.569 9.860 1.00 0.00 C ATOM 0 H MET A 462 5.042 6.558 7.643 1.00 0.00 H new ATOM 0 HA MET A 462 3.679 4.716 9.494 1.00 0.00 H new ATOM 0 HB2 MET A 462 3.800 4.765 6.436 1.00 0.00 H new ATOM 0 HB3 MET A 462 3.014 3.511 7.374 1.00 0.00 H new ATOM 0 HG2 MET A 462 2.138 6.332 7.848 1.00 0.00 H new ATOM 0 HG3 MET A 462 1.708 5.608 6.311 1.00 0.00 H new ATOM 0 HE1 MET A 462 0.082 4.411 10.472 1.00 0.00 H new ATOM 0 HE2 MET A 462 1.675 3.755 10.027 1.00 0.00 H new ATOM 0 HE3 MET A 462 1.437 5.515 10.134 1.00 0.00 H new ATOM 1269 N ASN A 463 6.562 4.293 8.048 1.00 0.00 N ATOM 1270 CA ASN A 463 7.738 3.420 8.053 1.00 0.00 C ATOM 1271 C ASN A 463 8.275 3.236 9.489 1.00 0.00 C ATOM 1272 O ASN A 463 8.736 4.192 10.119 1.00 0.00 O ATOM 1273 CB ASN A 463 8.795 3.977 7.087 1.00 0.00 C ATOM 1274 CG ASN A 463 9.898 2.962 6.827 1.00 0.00 C ATOM 1275 OD1 ASN A 463 9.640 1.878 6.319 1.00 0.00 O ATOM 1276 ND2 ASN A 463 11.136 3.265 7.168 1.00 0.00 N ATOM 0 H ASN A 463 6.729 5.216 7.647 1.00 0.00 H new ATOM 0 HA ASN A 463 7.462 2.426 7.700 1.00 0.00 H new ATOM 0 HB2 ASN A 463 8.321 4.251 6.145 1.00 0.00 H new ATOM 0 HB3 ASN A 463 9.227 4.887 7.503 1.00 0.00 H new ATOM 0 HD21 ASN A 463 11.888 2.594 7.009 1.00 0.00 H new ATOM 0 HD22 ASN A 463 11.342 4.170 7.591 1.00 0.00 H new ATOM 1283 N GLY A 464 8.182 2.010 10.017 1.00 0.00 N ATOM 1284 CA GLY A 464 8.514 1.648 11.406 1.00 0.00 C ATOM 1285 C GLY A 464 7.365 1.832 12.407 1.00 0.00 C ATOM 1286 O GLY A 464 7.574 1.617 13.601 1.00 0.00 O ATOM 0 H GLY A 464 7.862 1.210 9.471 1.00 0.00 H new ATOM 0 HA2 GLY A 464 8.835 0.607 11.429 1.00 0.00 H new ATOM 0 HA3 GLY A 464 9.362 2.250 11.732 1.00 0.00 H new ATOM 1290 N PHE A 465 6.163 2.211 11.951 1.00 0.00 N ATOM 1291 CA PHE A 465 4.978 2.422 12.794 1.00 0.00 C ATOM 1292 C PHE A 465 4.545 1.118 13.478 1.00 0.00 C ATOM 1293 O PHE A 465 4.347 0.105 12.804 1.00 0.00 O ATOM 1294 CB PHE A 465 3.855 2.981 11.911 1.00 0.00 C ATOM 1295 CG PHE A 465 2.524 3.216 12.602 1.00 0.00 C ATOM 1296 CD1 PHE A 465 2.302 4.421 13.297 1.00 0.00 C ATOM 1297 CD2 PHE A 465 1.485 2.268 12.501 1.00 0.00 C ATOM 1298 CE1 PHE A 465 1.048 4.680 13.880 1.00 0.00 C ATOM 1299 CE2 PHE A 465 0.231 2.531 13.081 1.00 0.00 C ATOM 1300 CZ PHE A 465 0.011 3.737 13.767 1.00 0.00 C ATOM 0 H PHE A 465 5.984 2.383 10.962 1.00 0.00 H new ATOM 0 HA PHE A 465 5.212 3.131 13.588 1.00 0.00 H new ATOM 0 HB2 PHE A 465 4.192 3.925 11.482 1.00 0.00 H new ATOM 0 HB3 PHE A 465 3.695 2.293 11.081 1.00 0.00 H new ATOM 0 HD1 PHE A 465 3.096 5.148 13.383 1.00 0.00 H new ATOM 0 HD2 PHE A 465 1.652 1.338 11.977 1.00 0.00 H new ATOM 0 HE1 PHE A 465 0.882 5.604 14.415 1.00 0.00 H new ATOM 0 HE2 PHE A 465 -0.564 1.805 12.999 1.00 0.00 H new ATOM 0 HZ PHE A 465 -0.954 3.940 14.207 1.00 0.00 H new ATOM 1310 N GLN A 466 4.402 1.135 14.806 1.00 0.00 N ATOM 1311 CA GLN A 466 4.028 -0.046 15.585 1.00 0.00 C ATOM 1312 C GLN A 466 2.504 -0.218 15.619 1.00 0.00 C ATOM 1313 O GLN A 466 1.760 0.724 15.898 1.00 0.00 O ATOM 1314 CB GLN A 466 4.655 0.030 16.987 1.00 0.00 C ATOM 1315 CG GLN A 466 4.541 -1.315 17.732 1.00 0.00 C ATOM 1316 CD GLN A 466 5.377 -1.366 19.013 1.00 0.00 C ATOM 1317 OE1 GLN A 466 6.547 -0.998 19.038 1.00 0.00 O ATOM 1318 NE2 GLN A 466 4.834 -1.848 20.112 1.00 0.00 N ATOM 0 H GLN A 466 4.543 1.972 15.372 1.00 0.00 H new ATOM 0 HA GLN A 466 4.424 -0.940 15.103 1.00 0.00 H new ATOM 0 HB2 GLN A 466 5.704 0.312 16.902 1.00 0.00 H new ATOM 0 HB3 GLN A 466 4.161 0.810 17.566 1.00 0.00 H new ATOM 0 HG2 GLN A 466 3.496 -1.498 17.980 1.00 0.00 H new ATOM 0 HG3 GLN A 466 4.856 -2.119 17.067 1.00 0.00 H new ATOM 0 HE21 GLN A 466 3.862 -2.158 20.107 1.00 0.00 H new ATOM 0 HE22 GLN A 466 5.385 -1.911 20.968 1.00 0.00 H new ATOM 1327 N ILE A 467 2.040 -1.434 15.324 1.00 0.00 N ATOM 1328 CA ILE A 467 0.631 -1.775 15.099 1.00 0.00 C ATOM 1329 C ILE A 467 0.371 -3.225 15.533 1.00 0.00 C ATOM 1330 O ILE A 467 1.105 -4.136 15.146 1.00 0.00 O ATOM 1331 CB ILE A 467 0.273 -1.478 13.620 1.00 0.00 C ATOM 1332 CG1 ILE A 467 -1.253 -1.532 13.408 1.00 0.00 C ATOM 1333 CG2 ILE A 467 1.035 -2.371 12.619 1.00 0.00 C ATOM 1334 CD1 ILE A 467 -1.704 -1.090 12.009 1.00 0.00 C ATOM 0 H ILE A 467 2.658 -2.240 15.231 1.00 0.00 H new ATOM 0 HA ILE A 467 -0.030 -1.161 15.710 1.00 0.00 H new ATOM 0 HB ILE A 467 0.607 -0.462 13.409 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -1.598 -2.551 13.585 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -1.736 -0.898 14.152 1.00 0.00 H new ATOM 0 HG21 ILE A 467 0.739 -2.113 11.602 1.00 0.00 H new ATOM 0 HG22 ILE A 467 2.107 -2.215 12.735 1.00 0.00 H new ATOM 0 HG23 ILE A 467 0.798 -3.417 12.811 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -2.790 -1.156 11.939 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -1.391 -0.061 11.834 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -1.252 -1.739 11.259 1.00 0.00 H new ATOM 1392 N ARG A 471 5.782 -4.066 13.564 1.00 0.00 N ATOM 1393 CA ARG A 471 6.109 -2.747 12.987 1.00 0.00 C ATOM 1394 C ARG A 471 6.089 -2.783 11.457 1.00 0.00 C ATOM 1395 O ARG A 471 6.665 -3.685 10.847 1.00 0.00 O ATOM 1396 CB ARG A 471 7.467 -2.222 13.495 1.00 0.00 C ATOM 1397 CG ARG A 471 7.437 -1.910 14.998 1.00 0.00 C ATOM 1398 CD ARG A 471 8.750 -1.300 15.497 1.00 0.00 C ATOM 1399 NE ARG A 471 8.643 -0.934 16.920 1.00 0.00 N ATOM 1400 CZ ARG A 471 9.553 -0.316 17.658 1.00 0.00 C ATOM 1401 NH1 ARG A 471 10.732 0.033 17.186 1.00 0.00 N ATOM 1402 NH2 ARG A 471 9.262 -0.042 18.909 1.00 0.00 N ATOM 0 HA ARG A 471 5.335 -2.056 13.322 1.00 0.00 H new ATOM 0 HB2 ARG A 471 8.240 -2.963 13.294 1.00 0.00 H new ATOM 0 HB3 ARG A 471 7.737 -1.322 12.943 1.00 0.00 H new ATOM 0 HG2 ARG A 471 6.618 -1.222 15.207 1.00 0.00 H new ATOM 0 HG3 ARG A 471 7.232 -2.826 15.552 1.00 0.00 H new ATOM 0 HD2 ARG A 471 9.564 -2.012 15.359 1.00 0.00 H new ATOM 0 HD3 ARG A 471 8.995 -0.417 14.906 1.00 0.00 H new ATOM 0 HE ARG A 471 7.772 -1.184 17.389 1.00 0.00 H new ATOM 0 HH11 ARG A 471 10.974 -0.171 16.216 1.00 0.00 H new ATOM 0 HH12 ARG A 471 11.403 0.508 17.790 1.00 0.00 H new ATOM 0 HH21 ARG A 471 8.353 -0.304 19.290 1.00 0.00 H new ATOM 0 HH22 ARG A 471 9.945 0.433 19.499 1.00 0.00 H new ATOM 1416 N LEU A 472 5.429 -1.792 10.852 1.00 0.00 N ATOM 1417 CA LEU A 472 5.305 -1.615 9.401 1.00 0.00 C ATOM 1418 C LEU A 472 6.637 -1.238 8.736 1.00 0.00 C ATOM 1419 O LEU A 472 7.556 -0.734 9.379 1.00 0.00 O ATOM 1420 CB LEU A 472 4.281 -0.497 9.110 1.00 0.00 C ATOM 1421 CG LEU A 472 2.845 -0.713 9.611 1.00 0.00 C ATOM 1422 CD1 LEU A 472 1.952 0.439 9.130 1.00 0.00 C ATOM 1423 CD2 LEU A 472 2.266 -2.043 9.121 1.00 0.00 C ATOM 0 H LEU A 472 4.948 -1.063 11.378 1.00 0.00 H new ATOM 0 HA LEU A 472 4.980 -2.570 8.988 1.00 0.00 H new ATOM 0 HB2 LEU A 472 4.656 0.428 9.549 1.00 0.00 H new ATOM 0 HB3 LEU A 472 4.243 -0.346 8.031 1.00 0.00 H new ATOM 0 HG LEU A 472 2.874 -0.739 10.700 1.00 0.00 H new ATOM 0 HD11 LEU A 472 0.934 0.283 9.487 1.00 0.00 H new ATOM 0 HD12 LEU A 472 2.333 1.382 9.521 1.00 0.00 H new ATOM 0 HD13 LEU A 472 1.954 0.470 8.040 1.00 0.00 H new ATOM 0 HD21 LEU A 472 1.249 -2.158 9.497 1.00 0.00 H new ATOM 0 HD22 LEU A 472 2.253 -2.055 8.031 1.00 0.00 H new ATOM 0 HD23 LEU A 472 2.883 -2.865 9.486 1.00 0.00 H new ATOM 1435 N LYS A 473 6.693 -1.395 7.415 1.00 0.00 N ATOM 1436 CA LYS A 473 7.754 -0.881 6.542 1.00 0.00 C ATOM 1437 C LYS A 473 7.115 -0.340 5.248 1.00 0.00 C ATOM 1438 O LYS A 473 6.143 -0.917 4.762 1.00 0.00 O ATOM 1439 CB LYS A 473 8.783 -1.996 6.285 1.00 0.00 C ATOM 1440 CG LYS A 473 10.051 -1.499 5.569 1.00 0.00 C ATOM 1441 CD LYS A 473 10.994 -2.647 5.171 1.00 0.00 C ATOM 1442 CE LYS A 473 11.497 -3.503 6.345 1.00 0.00 C ATOM 1443 NZ LYS A 473 12.398 -2.750 7.260 1.00 0.00 N ATOM 0 H LYS A 473 5.974 -1.903 6.900 1.00 0.00 H new ATOM 0 HA LYS A 473 8.289 -0.055 7.011 1.00 0.00 H new ATOM 0 HB2 LYS A 473 9.064 -2.448 7.236 1.00 0.00 H new ATOM 0 HB3 LYS A 473 8.318 -2.779 5.685 1.00 0.00 H new ATOM 0 HG2 LYS A 473 9.765 -0.942 4.676 1.00 0.00 H new ATOM 0 HG3 LYS A 473 10.583 -0.806 6.220 1.00 0.00 H new ATOM 0 HD2 LYS A 473 10.477 -3.294 4.463 1.00 0.00 H new ATOM 0 HD3 LYS A 473 11.855 -2.228 4.650 1.00 0.00 H new ATOM 0 HE2 LYS A 473 10.643 -3.877 6.909 1.00 0.00 H new ATOM 0 HE3 LYS A 473 12.026 -4.372 5.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 12.708 -3.373 8.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 13.229 -2.415 6.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 11.888 -1.935 7.656 1.00 0.00 H new ATOM 1457 N VAL A 474 7.624 0.761 4.696 1.00 0.00 N ATOM 1458 CA VAL A 474 7.060 1.434 3.511 1.00 0.00 C ATOM 1459 C VAL A 474 8.198 1.872 2.583 1.00 0.00 C ATOM 1460 O VAL A 474 9.228 2.349 3.056 1.00 0.00 O ATOM 1461 CB VAL A 474 6.194 2.656 3.907 1.00 0.00 C ATOM 1462 CG1 VAL A 474 5.508 3.248 2.669 1.00 0.00 C ATOM 1463 CG2 VAL A 474 5.112 2.292 4.935 1.00 0.00 C ATOM 0 H VAL A 474 8.456 1.224 5.062 1.00 0.00 H new ATOM 0 HA VAL A 474 6.413 0.727 2.992 1.00 0.00 H new ATOM 0 HB VAL A 474 6.869 3.385 4.355 1.00 0.00 H new ATOM 0 HG11 VAL A 474 4.903 4.106 2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 474 6.264 3.566 1.951 1.00 0.00 H new ATOM 0 HG13 VAL A 474 4.869 2.493 2.211 1.00 0.00 H new ATOM 0 HG21 VAL A 474 4.531 3.181 5.182 1.00 0.00 H new ATOM 0 HG22 VAL A 474 4.453 1.532 4.516 1.00 0.00 H new ATOM 0 HG23 VAL A 474 5.584 1.905 5.838 1.00 0.00 H new ATOM 1473 N GLN A 475 8.009 1.721 1.270 1.00 0.00 N ATOM 1474 CA GLN A 475 9.009 2.044 0.249 1.00 0.00 C ATOM 1475 C GLN A 475 8.341 2.597 -1.017 1.00 0.00 C ATOM 1476 O GLN A 475 7.235 2.194 -1.377 1.00 0.00 O ATOM 1477 CB GLN A 475 9.796 0.763 -0.083 1.00 0.00 C ATOM 1478 CG GLN A 475 11.082 0.990 -0.901 1.00 0.00 C ATOM 1479 CD GLN A 475 11.490 -0.265 -1.671 1.00 0.00 C ATOM 1480 OE1 GLN A 475 12.173 -1.151 -1.169 1.00 0.00 O ATOM 1481 NE2 GLN A 475 11.080 -0.391 -2.919 1.00 0.00 N ATOM 0 H GLN A 475 7.138 1.363 0.878 1.00 0.00 H new ATOM 0 HA GLN A 475 9.682 2.812 0.630 1.00 0.00 H new ATOM 0 HB2 GLN A 475 10.058 0.262 0.849 1.00 0.00 H new ATOM 0 HB3 GLN A 475 9.145 0.086 -0.636 1.00 0.00 H new ATOM 0 HG2 GLN A 475 10.928 1.812 -1.600 1.00 0.00 H new ATOM 0 HG3 GLN A 475 11.891 1.286 -0.233 1.00 0.00 H new ATOM 0 HE21 GLN A 475 10.511 0.341 -3.345 1.00 0.00 H new ATOM 0 HE22 GLN A 475 11.332 -1.220 -3.457 1.00 0.00 H new ATOM 1490 N LEU A 476 9.037 3.498 -1.718 1.00 0.00 N ATOM 1491 CA LEU A 476 8.664 3.943 -3.066 1.00 0.00 C ATOM 1492 C LEU A 476 8.709 2.796 -4.092 1.00 0.00 C ATOM 1493 O LEU A 476 9.474 1.835 -3.965 1.00 0.00 O ATOM 1494 CB LEU A 476 9.618 5.061 -3.537 1.00 0.00 C ATOM 1495 CG LEU A 476 9.464 6.430 -2.850 1.00 0.00 C ATOM 1496 CD1 LEU A 476 10.535 7.375 -3.406 1.00 0.00 C ATOM 1497 CD2 LEU A 476 8.082 7.046 -3.106 1.00 0.00 C ATOM 0 H LEU A 476 9.883 3.943 -1.363 1.00 0.00 H new ATOM 0 HA LEU A 476 7.640 4.311 -3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 476 10.643 4.719 -3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 476 9.478 5.200 -4.609 1.00 0.00 H new ATOM 0 HG LEU A 476 9.576 6.288 -1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 476 10.441 8.351 -2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 476 11.524 6.965 -3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 476 10.402 7.482 -4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 476 8.015 8.011 -2.604 1.00 0.00 H new ATOM 0 HD22 LEU A 476 7.938 7.184 -4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 476 7.310 6.381 -2.719 1.00 0.00 H new ATOM 1509 N LYS A 477 7.932 2.951 -5.165 1.00 0.00 N ATOM 1510 CA LYS A 477 7.994 2.103 -6.363 1.00 0.00 C ATOM 1511 C LYS A 477 9.350 2.264 -7.088 1.00 0.00 C ATOM 1512 O LYS A 477 9.859 3.380 -7.231 1.00 0.00 O ATOM 1513 CB LYS A 477 6.786 2.463 -7.248 1.00 0.00 C ATOM 1514 CG LYS A 477 6.711 1.662 -8.557 1.00 0.00 C ATOM 1515 CD LYS A 477 5.388 1.926 -9.290 1.00 0.00 C ATOM 1516 CE LYS A 477 5.333 1.106 -10.585 1.00 0.00 C ATOM 1517 NZ LYS A 477 4.068 1.335 -11.323 1.00 0.00 N ATOM 0 H LYS A 477 7.226 3.684 -5.230 1.00 0.00 H new ATOM 0 HA LYS A 477 7.936 1.047 -6.100 1.00 0.00 H new ATOM 0 HB2 LYS A 477 5.870 2.298 -6.680 1.00 0.00 H new ATOM 0 HB3 LYS A 477 6.827 3.526 -7.486 1.00 0.00 H new ATOM 0 HG2 LYS A 477 7.548 1.932 -9.201 1.00 0.00 H new ATOM 0 HG3 LYS A 477 6.805 0.598 -8.342 1.00 0.00 H new ATOM 0 HD2 LYS A 477 4.548 1.663 -8.647 1.00 0.00 H new ATOM 0 HD3 LYS A 477 5.295 2.988 -9.518 1.00 0.00 H new ATOM 0 HE2 LYS A 477 6.178 1.371 -11.220 1.00 0.00 H new ATOM 0 HE3 LYS A 477 5.431 0.046 -10.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 4.146 0.933 -12.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 3.283 0.877 -10.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 3.886 2.357 -11.391 1.00 0.00 H new