USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 573 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 407 HIS :FLIP no HD1:sc= -0.0187 F(o=-1.4,f=-0.019) USER MOD Set 1.2: A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 451 ASN : amide:sc= -0.494 K(o=0.5,f=-7.2!) USER MOD Set 2.2: A 454 SER OG : rot 87:sc= 0.994 USER MOD Single : A 395 LYS NZ :NH3+ -127:sc= -0.543 (180deg=-2!) USER MOD Single : A 402 ASN :FLIP amide:sc= -2.4 F(o=-3.7!,f=-2.4) USER MOD Single : A 406 TYR OH : rot 180:sc= 0 USER MOD Single : A 410 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 415 GLN : amide:sc= -1.28 K(o=-1.3,f=-2.1) USER MOD Single : A 419 GLN : amide:sc=-0.00336 K(o=-0.0034,f=-0.89) USER MOD Single : A 420 MET CE :methyl -173:sc= -0.117 (180deg=-0.172) USER MOD Single : A 422 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 426 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 429 SER OG : rot 172:sc= 1 USER MOD Single : A 431 LYS NZ :NH3+ -155:sc= -0.152 (180deg=-0.756) USER MOD Single : A 443 CYS SG : rot 53:sc= -0.173 USER MOD Single : A 448 SER OG : rot 101:sc= 0.684 USER MOD Single : A 449 TYR OH : rot -104:sc= 0.721 USER MOD Single : A 456 GLN : amide:sc= -0.447 X(o=-0.45,f=-0.45) USER MOD Single : A 460 GLN : amide:sc= -1.88 K(o=-1.9,f=-3.6!) USER MOD Single : A 461 SER OG : rot 180:sc= 0 USER MOD Single : A 462 MET CE :methyl 146:sc= -0.142 (180deg=-1.56!) USER MOD Single : A 463 ASN : amide:sc= -0.189 K(o=-0.19,f=-3.2!) USER MOD Single : A 466 GLN : amide:sc= 0.388 K(o=0.39,f=-5!) USER MOD Single : A 469 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 470 LYS NZ :NH3+ -128:sc= -0.0213 (180deg=-0.364) USER MOD Single : A 475 GLN : amide:sc= -0.0406 X(o=-0.041,f=-0.04) USER MOD Single : A 477 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 225 N LYS A 395 9.152 5.030 3.983 1.00 0.00 N ATOM 226 CA LYS A 395 8.873 6.420 3.640 1.00 0.00 C ATOM 227 C LYS A 395 7.416 6.597 3.230 1.00 0.00 C ATOM 228 O LYS A 395 6.687 5.620 3.061 1.00 0.00 O ATOM 229 CB LYS A 395 9.793 6.882 2.507 1.00 0.00 C ATOM 230 CG LYS A 395 9.296 6.495 1.125 1.00 0.00 C ATOM 231 CD LYS A 395 10.084 7.199 0.032 1.00 0.00 C ATOM 232 CE LYS A 395 11.580 6.976 0.193 1.00 0.00 C ATOM 233 NZ LYS A 395 12.200 7.993 1.086 1.00 0.00 N ATOM 0 HA LYS A 395 9.060 7.031 4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 395 9.899 7.966 2.556 1.00 0.00 H new ATOM 0 HB3 LYS A 395 10.785 6.457 2.659 1.00 0.00 H new ATOM 0 HG2 LYS A 395 9.378 5.416 0.997 1.00 0.00 H new ATOM 0 HG3 LYS A 395 8.240 6.747 1.033 1.00 0.00 H new ATOM 0 HD2 LYS A 395 9.763 6.833 -0.943 1.00 0.00 H new ATOM 0 HD3 LYS A 395 9.869 8.267 0.058 1.00 0.00 H new ATOM 0 HE2 LYS A 395 11.757 5.980 0.599 1.00 0.00 H new ATOM 0 HE3 LYS A 395 12.060 7.011 -0.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 13.006 8.436 0.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 11.497 8.721 1.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 12.531 7.534 1.958 1.00 0.00 H new ATOM 247 N GLU A 396 6.999 7.849 3.071 1.00 0.00 N ATOM 248 CA GLU A 396 5.628 8.153 2.679 1.00 0.00 C ATOM 249 C GLU A 396 5.594 9.257 1.626 1.00 0.00 C ATOM 250 O GLU A 396 6.633 9.778 1.224 1.00 0.00 O ATOM 251 CB GLU A 396 4.806 8.572 3.900 1.00 0.00 C ATOM 252 CG GLU A 396 5.447 9.685 4.712 1.00 0.00 C ATOM 253 CD GLU A 396 4.435 10.481 5.512 1.00 0.00 C ATOM 254 OE1 GLU A 396 3.319 10.706 5.000 1.00 0.00 O ATOM 255 OE2 GLU A 396 4.759 10.880 6.650 1.00 0.00 O ATOM 0 H GLU A 396 7.591 8.669 3.208 1.00 0.00 H new ATOM 0 HA GLU A 396 5.193 7.251 2.248 1.00 0.00 H new ATOM 0 HB2 GLU A 396 3.819 8.897 3.569 1.00 0.00 H new ATOM 0 HB3 GLU A 396 4.657 7.704 4.543 1.00 0.00 H new ATOM 0 HG2 GLU A 396 6.184 9.256 5.390 1.00 0.00 H new ATOM 0 HG3 GLU A 396 5.983 10.356 4.041 1.00 0.00 H new ATOM 262 N GLY A 397 4.390 9.607 1.183 1.00 0.00 N ATOM 263 CA GLY A 397 4.242 10.646 0.181 1.00 0.00 C ATOM 264 C GLY A 397 3.974 12.008 0.791 1.00 0.00 C ATOM 265 O GLY A 397 4.338 12.281 1.936 1.00 0.00 O ATOM 0 H GLY A 397 3.515 9.190 1.500 1.00 0.00 H new ATOM 0 HA2 GLY A 397 5.147 10.694 -0.424 1.00 0.00 H new ATOM 0 HA3 GLY A 397 3.424 10.385 -0.490 1.00 0.00 H new ATOM 269 N PRO A 398 3.325 12.890 0.018 1.00 0.00 N ATOM 270 CA PRO A 398 2.996 14.246 0.468 1.00 0.00 C ATOM 271 C PRO A 398 1.897 14.254 1.525 1.00 0.00 C ATOM 272 O PRO A 398 1.042 13.369 1.552 1.00 0.00 O ATOM 273 CB PRO A 398 2.515 14.938 -0.809 1.00 0.00 C ATOM 274 CG PRO A 398 1.996 13.833 -1.666 1.00 0.00 C ATOM 275 CD PRO A 398 2.862 12.633 -1.356 1.00 0.00 C ATOM 0 HA PRO A 398 3.848 14.737 0.939 1.00 0.00 H new ATOM 0 HB2 PRO A 398 1.737 15.671 -0.593 1.00 0.00 H new ATOM 0 HB3 PRO A 398 3.328 15.472 -1.301 1.00 0.00 H new ATOM 0 HG2 PRO A 398 0.948 13.627 -1.447 1.00 0.00 H new ATOM 0 HG3 PRO A 398 2.055 14.096 -2.722 1.00 0.00 H new ATOM 0 HD2 PRO A 398 2.298 11.703 -1.422 1.00 0.00 H new ATOM 0 HD3 PRO A 398 3.697 12.550 -2.052 1.00 0.00 H new ATOM 283 N GLU A 399 1.925 15.260 2.394 1.00 0.00 N ATOM 284 CA GLU A 399 0.930 15.383 3.452 1.00 0.00 C ATOM 285 C GLU A 399 -0.481 15.244 2.891 1.00 0.00 C ATOM 286 O GLU A 399 -1.056 16.205 2.380 1.00 0.00 O ATOM 287 CB GLU A 399 1.076 16.727 4.168 1.00 0.00 C ATOM 288 CG GLU A 399 0.250 16.834 5.438 1.00 0.00 C ATOM 289 CD GLU A 399 0.453 15.653 6.367 1.00 0.00 C ATOM 290 OE1 GLU A 399 1.619 15.258 6.578 1.00 0.00 O ATOM 291 OE2 GLU A 399 -0.553 15.123 6.884 1.00 0.00 O ATOM 0 H GLU A 399 2.626 16.001 2.386 1.00 0.00 H new ATOM 0 HA GLU A 399 1.099 14.579 4.168 1.00 0.00 H new ATOM 0 HB2 GLU A 399 2.126 16.886 4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 399 0.784 17.526 3.486 1.00 0.00 H new ATOM 0 HG2 GLU A 399 0.513 17.753 5.962 1.00 0.00 H new ATOM 0 HG3 GLU A 399 -0.805 16.908 5.175 1.00 0.00 H new ATOM 298 N GLY A 400 -1.036 14.040 2.990 1.00 0.00 N ATOM 299 CA GLY A 400 -2.376 13.796 2.488 1.00 0.00 C ATOM 300 C GLY A 400 -2.480 12.491 1.724 1.00 0.00 C ATOM 301 O GLY A 400 -3.559 11.907 1.623 1.00 0.00 O ATOM 0 H GLY A 400 -0.581 13.229 3.409 1.00 0.00 H new ATOM 0 HA2 GLY A 400 -3.076 13.781 3.323 1.00 0.00 H new ATOM 0 HA3 GLY A 400 -2.672 14.619 1.838 1.00 0.00 H new ATOM 305 N ALA A 401 -1.356 12.032 1.183 1.00 0.00 N ATOM 306 CA ALA A 401 -1.326 10.788 0.424 1.00 0.00 C ATOM 307 C ALA A 401 -0.839 9.630 1.289 1.00 0.00 C ATOM 308 O ALA A 401 0.221 9.708 1.909 1.00 0.00 O ATOM 309 CB ALA A 401 -0.441 10.941 -0.804 1.00 0.00 C ATOM 0 H ALA A 401 -0.454 12.503 1.256 1.00 0.00 H new ATOM 0 HA ALA A 401 -2.342 10.563 0.100 1.00 0.00 H new ATOM 0 HB1 ALA A 401 -0.428 10.005 -1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 401 -0.833 11.736 -1.439 1.00 0.00 H new ATOM 0 HB3 ALA A 401 0.573 11.193 -0.493 1.00 0.00 H new ATOM 315 N ASN A 402 -1.622 8.557 1.328 1.00 0.00 N ATOM 316 CA ASN A 402 -1.271 7.382 2.118 1.00 0.00 C ATOM 317 C ASN A 402 -2.009 6.147 1.613 1.00 0.00 C ATOM 318 O ASN A 402 -3.009 6.254 0.903 1.00 0.00 O ATOM 319 CB ASN A 402 -1.597 7.618 3.594 1.00 0.00 C ATOM 320 CG ASN A 402 -0.554 8.473 4.288 1.00 0.00 C ATOM 321 OD1 ASN A 402 -0.703 9.788 4.186 1.00 0.00 O flip ATOM 322 ND2 ASN A 402 0.376 7.955 4.908 1.00 0.00 N flip ATOM 0 H ASN A 402 -2.504 8.477 0.822 1.00 0.00 H new ATOM 0 HA ASN A 402 -0.200 7.211 2.013 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -2.571 8.101 3.675 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -1.674 6.658 4.104 1.00 0.00 H new ATOM 0 HD21 ASN A 402 0.451 6.939 4.960 1.00 0.00 H new ATOM 0 HD22 ASN A 402 1.071 8.542 5.369 1.00 0.00 H new ATOM 329 N LEU A 403 -1.511 4.973 1.987 1.00 0.00 N ATOM 330 CA LEU A 403 -2.124 3.715 1.574 1.00 0.00 C ATOM 331 C LEU A 403 -1.714 2.578 2.504 1.00 0.00 C ATOM 332 O LEU A 403 -0.568 2.127 2.484 1.00 0.00 O ATOM 333 CB LEU A 403 -1.727 3.380 0.135 1.00 0.00 C ATOM 334 CG LEU A 403 -2.376 4.231 -0.956 1.00 0.00 C ATOM 335 CD1 LEU A 403 -1.914 3.780 -2.332 1.00 0.00 C ATOM 336 CD2 LEU A 403 -3.893 4.165 -0.853 1.00 0.00 C ATOM 0 H LEU A 403 -0.685 4.866 2.575 1.00 0.00 H new ATOM 0 HA LEU A 403 -3.206 3.832 1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 403 -0.645 3.475 0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 403 -1.971 2.335 -0.054 1.00 0.00 H new ATOM 0 HG LEU A 403 -2.066 5.266 -0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 403 -2.387 4.398 -3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 403 -0.831 3.881 -2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 403 -2.192 2.737 -2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 403 -4.338 4.777 -1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 403 -4.221 3.132 -0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 403 -4.208 4.539 0.121 1.00 0.00 H new ATOM 348 N PHE A 404 -2.657 2.117 3.317 1.00 0.00 N ATOM 349 CA PHE A 404 -2.395 1.030 4.255 1.00 0.00 C ATOM 350 C PHE A 404 -3.185 -0.219 3.876 1.00 0.00 C ATOM 351 O PHE A 404 -4.413 -0.238 3.959 1.00 0.00 O ATOM 352 CB PHE A 404 -2.751 1.461 5.679 1.00 0.00 C ATOM 353 CG PHE A 404 -1.772 2.430 6.276 1.00 0.00 C ATOM 354 CD1 PHE A 404 -1.648 3.713 5.764 1.00 0.00 C ATOM 355 CD2 PHE A 404 -0.977 2.061 7.348 1.00 0.00 C ATOM 356 CE1 PHE A 404 -0.747 4.606 6.311 1.00 0.00 C ATOM 357 CE2 PHE A 404 -0.074 2.950 7.899 1.00 0.00 C ATOM 358 CZ PHE A 404 0.040 4.225 7.380 1.00 0.00 C ATOM 0 H PHE A 404 -3.610 2.478 3.346 1.00 0.00 H new ATOM 0 HA PHE A 404 -1.332 0.792 4.210 1.00 0.00 H new ATOM 0 HB2 PHE A 404 -3.742 1.915 5.675 1.00 0.00 H new ATOM 0 HB3 PHE A 404 -2.807 0.577 6.314 1.00 0.00 H new ATOM 0 HD1 PHE A 404 -2.262 4.017 4.929 1.00 0.00 H new ATOM 0 HD2 PHE A 404 -1.064 1.066 7.759 1.00 0.00 H new ATOM 0 HE1 PHE A 404 -0.658 5.602 5.903 1.00 0.00 H new ATOM 0 HE2 PHE A 404 0.541 2.649 8.734 1.00 0.00 H new ATOM 0 HZ PHE A 404 0.743 4.923 7.810 1.00 0.00 H new ATOM 368 N ILE A 405 -2.472 -1.259 3.458 1.00 0.00 N ATOM 369 CA ILE A 405 -3.106 -2.512 3.066 1.00 0.00 C ATOM 370 C ILE A 405 -3.226 -3.461 4.253 1.00 0.00 C ATOM 371 O ILE A 405 -2.295 -3.602 5.047 1.00 0.00 O ATOM 372 CB ILE A 405 -2.322 -3.211 1.941 1.00 0.00 C ATOM 373 CG1 ILE A 405 -2.141 -2.265 0.751 1.00 0.00 C ATOM 374 CG2 ILE A 405 -3.037 -4.483 1.509 1.00 0.00 C ATOM 375 CD1 ILE A 405 -1.129 -1.169 1.000 1.00 0.00 C ATOM 0 H ILE A 405 -1.455 -1.259 3.382 1.00 0.00 H new ATOM 0 HA ILE A 405 -4.102 -2.262 2.702 1.00 0.00 H new ATOM 0 HB ILE A 405 -1.336 -3.481 2.319 1.00 0.00 H new ATOM 0 HG12 ILE A 405 -1.831 -2.844 -0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 405 -3.102 -1.813 0.507 1.00 0.00 H new ATOM 0 HG21 ILE A 405 -2.471 -4.966 0.713 1.00 0.00 H new ATOM 0 HG22 ILE A 405 -3.119 -5.161 2.359 1.00 0.00 H new ATOM 0 HG23 ILE A 405 -4.034 -4.234 1.146 1.00 0.00 H new ATOM 0 HD11 ILE A 405 -1.052 -0.537 0.115 1.00 0.00 H new ATOM 0 HD12 ILE A 405 -1.448 -0.566 1.850 1.00 0.00 H new ATOM 0 HD13 ILE A 405 -0.157 -1.613 1.214 1.00 0.00 H new ATOM 387 N TYR A 406 -4.378 -4.113 4.368 1.00 0.00 N ATOM 388 CA TYR A 406 -4.621 -5.050 5.459 1.00 0.00 C ATOM 389 C TYR A 406 -5.139 -6.383 4.927 1.00 0.00 C ATOM 390 O TYR A 406 -5.483 -6.504 3.750 1.00 0.00 O ATOM 391 CB TYR A 406 -5.622 -4.460 6.453 1.00 0.00 C ATOM 392 CG TYR A 406 -5.156 -3.170 7.090 1.00 0.00 C ATOM 393 CD1 TYR A 406 -4.248 -3.182 8.143 1.00 0.00 C ATOM 394 CD2 TYR A 406 -5.621 -1.942 6.641 1.00 0.00 C ATOM 395 CE1 TYR A 406 -3.819 -2.007 8.729 1.00 0.00 C ATOM 396 CE2 TYR A 406 -5.196 -0.762 7.219 1.00 0.00 C ATOM 397 CZ TYR A 406 -4.296 -0.799 8.263 1.00 0.00 C ATOM 398 OH TYR A 406 -3.871 0.374 8.843 1.00 0.00 O ATOM 0 H TYR A 406 -5.158 -4.010 3.719 1.00 0.00 H new ATOM 0 HA TYR A 406 -3.675 -5.227 5.970 1.00 0.00 H new ATOM 0 HB2 TYR A 406 -6.567 -4.281 5.941 1.00 0.00 H new ATOM 0 HB3 TYR A 406 -5.817 -5.192 7.236 1.00 0.00 H new ATOM 0 HD1 TYR A 406 -3.872 -4.126 8.509 1.00 0.00 H new ATOM 0 HD2 TYR A 406 -6.328 -1.909 5.825 1.00 0.00 H new ATOM 0 HE1 TYR A 406 -3.114 -2.034 9.547 1.00 0.00 H new ATOM 0 HE2 TYR A 406 -5.567 0.185 6.855 1.00 0.00 H new ATOM 0 HH TYR A 406 -4.301 1.134 8.397 1.00 0.00 H new ATOM 408 N HIS A 407 -5.195 -7.380 5.803 1.00 0.00 N ATOM 409 CA HIS A 407 -5.673 -8.705 5.423 1.00 0.00 C ATOM 410 C HIS A 407 -4.904 -9.235 4.217 1.00 0.00 C ATOM 411 O HIS A 407 -5.499 -9.659 3.226 1.00 0.00 O ATOM 412 CB HIS A 407 -7.169 -8.660 5.109 1.00 0.00 C ATOM 413 CG HIS A 407 -7.996 -8.080 6.215 1.00 0.00 C ATOM 414 ND1 HIS A 407 -8.053 -6.824 6.714 1.00 0.00 N flip ATOM 415 CD2 HIS A 407 -8.899 -8.823 6.947 1.00 0.00 C flip ATOM 416 CE1 HIS A 407 -8.979 -6.829 7.727 1.00 0.00 C flip ATOM 417 NE2 HIS A 407 -9.476 -8.047 7.846 1.00 0.00 N flip ATOM 0 H HIS A 407 -4.916 -7.296 6.780 1.00 0.00 H new ATOM 0 HA HIS A 407 -5.506 -9.379 6.263 1.00 0.00 H new ATOM 0 HB2 HIS A 407 -7.324 -8.073 4.204 1.00 0.00 H new ATOM 0 HB3 HIS A 407 -7.518 -9.671 4.897 1.00 0.00 H new ATOM 0 HD2 HIS A 407 -9.102 -9.874 6.807 1.00 0.00 H new ATOM 0 HE1 HIS A 407 -9.256 -5.976 8.329 1.00 0.00 H new ATOM 0 HE2 HIS A 407 -10.185 -8.339 8.518 1.00 0.00 H new ATOM 425 N LEU A 408 -3.579 -9.209 4.309 1.00 0.00 N ATOM 426 CA LEU A 408 -2.727 -9.687 3.225 1.00 0.00 C ATOM 427 C LEU A 408 -2.344 -11.148 3.437 1.00 0.00 C ATOM 428 O LEU A 408 -1.961 -11.562 4.531 1.00 0.00 O ATOM 429 CB LEU A 408 -1.466 -8.827 3.124 1.00 0.00 C ATOM 430 CG LEU A 408 -1.625 -7.486 2.407 1.00 0.00 C ATOM 431 CD1 LEU A 408 -0.457 -6.566 2.732 1.00 0.00 C ATOM 432 CD2 LEU A 408 -1.739 -7.694 0.905 1.00 0.00 C ATOM 0 H LEU A 408 -3.071 -8.862 5.123 1.00 0.00 H new ATOM 0 HA LEU A 408 -3.288 -9.609 2.294 1.00 0.00 H new ATOM 0 HB2 LEU A 408 -1.099 -8.636 4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -0.698 -9.403 2.609 1.00 0.00 H new ATOM 0 HG LEU A 408 -2.543 -7.014 2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -0.587 -5.616 2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 408 -0.421 -6.390 3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 408 0.474 -7.032 2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -1.852 -6.729 0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -0.839 -8.187 0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 408 -2.608 -8.316 0.689 1.00 0.00 H new ATOM 444 N PRO A 409 -2.448 -11.948 2.366 1.00 0.00 N ATOM 445 CA PRO A 409 -2.114 -13.376 2.409 1.00 0.00 C ATOM 446 C PRO A 409 -0.758 -13.634 3.057 1.00 0.00 C ATOM 447 O PRO A 409 -0.106 -12.710 3.543 1.00 0.00 O ATOM 448 CB PRO A 409 -2.087 -13.778 0.932 1.00 0.00 C ATOM 449 CG PRO A 409 -3.007 -12.817 0.261 1.00 0.00 C ATOM 450 CD PRO A 409 -2.897 -11.522 1.030 1.00 0.00 C ATOM 0 HA PRO A 409 -2.827 -13.944 3.006 1.00 0.00 H new ATOM 0 HB2 PRO A 409 -1.079 -13.713 0.522 1.00 0.00 H new ATOM 0 HB3 PRO A 409 -2.421 -14.807 0.795 1.00 0.00 H new ATOM 0 HG2 PRO A 409 -2.728 -12.675 -0.783 1.00 0.00 H new ATOM 0 HG3 PRO A 409 -4.032 -13.189 0.269 1.00 0.00 H new ATOM 0 HD2 PRO A 409 -2.184 -10.840 0.566 1.00 0.00 H new ATOM 0 HD3 PRO A 409 -3.853 -11.001 1.076 1.00 0.00 H new ATOM 458 N GLN A 410 -0.340 -14.896 3.060 1.00 0.00 N ATOM 459 CA GLN A 410 0.939 -15.275 3.648 1.00 0.00 C ATOM 460 C GLN A 410 2.061 -15.181 2.620 1.00 0.00 C ATOM 461 O GLN A 410 3.159 -14.717 2.926 1.00 0.00 O ATOM 462 CB GLN A 410 0.865 -16.696 4.210 1.00 0.00 C ATOM 463 CG GLN A 410 0.014 -16.810 5.465 1.00 0.00 C ATOM 464 CD GLN A 410 -0.099 -18.236 5.966 1.00 0.00 C ATOM 465 OE1 GLN A 410 0.558 -18.621 6.934 1.00 0.00 O ATOM 466 NE2 GLN A 410 -0.936 -19.030 5.308 1.00 0.00 N ATOM 0 H GLN A 410 -0.868 -15.673 2.662 1.00 0.00 H new ATOM 0 HA GLN A 410 1.156 -14.581 4.460 1.00 0.00 H new ATOM 0 HB2 GLN A 410 0.461 -17.360 3.446 1.00 0.00 H new ATOM 0 HB3 GLN A 410 1.874 -17.043 4.432 1.00 0.00 H new ATOM 0 HG2 GLN A 410 0.444 -16.187 6.249 1.00 0.00 H new ATOM 0 HG3 GLN A 410 -0.983 -16.421 5.260 1.00 0.00 H new ATOM 0 HE21 GLN A 410 -1.461 -18.669 4.511 1.00 0.00 H new ATOM 0 HE22 GLN A 410 -1.054 -20.000 5.600 1.00 0.00 H new ATOM 475 N GLU A 411 1.777 -15.626 1.399 1.00 0.00 N ATOM 476 CA GLU A 411 2.765 -15.592 0.326 1.00 0.00 C ATOM 477 C GLU A 411 3.175 -14.157 0.009 1.00 0.00 C ATOM 478 O GLU A 411 4.339 -13.882 -0.284 1.00 0.00 O ATOM 479 CB GLU A 411 2.207 -16.264 -0.931 1.00 0.00 C ATOM 480 CG GLU A 411 0.921 -15.634 -1.438 1.00 0.00 C ATOM 481 CD GLU A 411 0.079 -16.599 -2.250 1.00 0.00 C ATOM 482 OE1 GLU A 411 -0.446 -17.567 -1.661 1.00 0.00 O ATOM 483 OE2 GLU A 411 -0.055 -16.386 -3.474 1.00 0.00 O ATOM 0 H GLU A 411 0.873 -16.013 1.129 1.00 0.00 H new ATOM 0 HA GLU A 411 3.647 -16.138 0.661 1.00 0.00 H new ATOM 0 HB2 GLU A 411 2.958 -16.221 -1.720 1.00 0.00 H new ATOM 0 HB3 GLU A 411 2.027 -17.318 -0.720 1.00 0.00 H new ATOM 0 HG2 GLU A 411 0.338 -15.274 -0.590 1.00 0.00 H new ATOM 0 HG3 GLU A 411 1.163 -14.765 -2.050 1.00 0.00 H new ATOM 490 N PHE A 412 2.210 -13.245 0.069 1.00 0.00 N ATOM 491 CA PHE A 412 2.469 -11.838 -0.213 1.00 0.00 C ATOM 492 C PHE A 412 3.589 -11.303 0.676 1.00 0.00 C ATOM 493 O PHE A 412 3.463 -11.268 1.899 1.00 0.00 O ATOM 494 CB PHE A 412 1.198 -11.011 -0.005 1.00 0.00 C ATOM 495 CG PHE A 412 0.350 -10.895 -1.238 1.00 0.00 C ATOM 496 CD1 PHE A 412 -0.293 -12.006 -1.759 1.00 0.00 C ATOM 497 CD2 PHE A 412 0.196 -9.675 -1.877 1.00 0.00 C ATOM 498 CE1 PHE A 412 -1.075 -11.903 -2.895 1.00 0.00 C ATOM 499 CE2 PHE A 412 -0.585 -9.566 -3.012 1.00 0.00 C ATOM 500 CZ PHE A 412 -1.220 -10.681 -3.523 1.00 0.00 C ATOM 0 H PHE A 412 1.242 -13.455 0.310 1.00 0.00 H new ATOM 0 HA PHE A 412 2.782 -11.753 -1.254 1.00 0.00 H new ATOM 0 HB2 PHE A 412 0.607 -11.462 0.792 1.00 0.00 H new ATOM 0 HB3 PHE A 412 1.475 -10.012 0.331 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -0.182 -12.964 -1.272 1.00 0.00 H new ATOM 0 HD2 PHE A 412 0.692 -8.800 -1.484 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -1.572 -12.777 -3.291 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -0.699 -8.609 -3.499 1.00 0.00 H new ATOM 0 HZ PHE A 412 -1.828 -10.598 -4.411 1.00 0.00 H new ATOM 510 N GLY A 413 4.686 -10.886 0.049 1.00 0.00 N ATOM 511 CA GLY A 413 5.812 -10.358 0.797 1.00 0.00 C ATOM 512 C GLY A 413 5.894 -8.846 0.734 1.00 0.00 C ATOM 513 O GLY A 413 4.877 -8.159 0.825 1.00 0.00 O ATOM 0 H GLY A 413 4.814 -10.905 -0.963 1.00 0.00 H new ATOM 0 HA2 GLY A 413 5.731 -10.671 1.838 1.00 0.00 H new ATOM 0 HA3 GLY A 413 6.736 -10.785 0.406 1.00 0.00 H new ATOM 517 N ASP A 414 7.107 -8.327 0.577 1.00 0.00 N ATOM 518 CA ASP A 414 7.317 -6.886 0.502 1.00 0.00 C ATOM 519 C ASP A 414 7.233 -6.399 -0.941 1.00 0.00 C ATOM 520 O ASP A 414 6.609 -5.378 -1.225 1.00 0.00 O ATOM 521 CB ASP A 414 8.675 -6.516 1.100 1.00 0.00 C ATOM 522 CG ASP A 414 8.821 -6.978 2.536 1.00 0.00 C ATOM 523 OD1 ASP A 414 9.279 -8.120 2.749 1.00 0.00 O ATOM 524 OD2 ASP A 414 8.477 -6.198 3.449 1.00 0.00 O ATOM 0 H ASP A 414 7.959 -8.882 0.499 1.00 0.00 H new ATOM 0 HA ASP A 414 6.530 -6.398 1.077 1.00 0.00 H new ATOM 0 HB2 ASP A 414 9.467 -6.959 0.497 1.00 0.00 H new ATOM 0 HB3 ASP A 414 8.806 -5.435 1.054 1.00 0.00 H new ATOM 529 N GLN A 415 7.866 -7.137 -1.847 1.00 0.00 N ATOM 530 CA GLN A 415 7.864 -6.779 -3.261 1.00 0.00 C ATOM 531 C GLN A 415 6.481 -6.983 -3.872 1.00 0.00 C ATOM 532 O GLN A 415 5.890 -6.052 -4.419 1.00 0.00 O ATOM 533 CB GLN A 415 8.899 -7.611 -4.021 1.00 0.00 C ATOM 534 CG GLN A 415 10.321 -7.421 -3.517 1.00 0.00 C ATOM 535 CD GLN A 415 10.623 -8.265 -2.294 1.00 0.00 C ATOM 536 OE1 GLN A 415 10.187 -9.411 -2.193 1.00 0.00 O ATOM 537 NE2 GLN A 415 11.374 -7.699 -1.356 1.00 0.00 N ATOM 0 H GLN A 415 8.387 -7.986 -1.628 1.00 0.00 H new ATOM 0 HA GLN A 415 8.125 -5.724 -3.344 1.00 0.00 H new ATOM 0 HB2 GLN A 415 8.633 -8.665 -3.944 1.00 0.00 H new ATOM 0 HB3 GLN A 415 8.859 -7.348 -5.078 1.00 0.00 H new ATOM 0 HG2 GLN A 415 11.022 -7.676 -4.312 1.00 0.00 H new ATOM 0 HG3 GLN A 415 10.480 -6.370 -3.277 1.00 0.00 H new ATOM 0 HE21 GLN A 415 11.714 -6.746 -1.482 1.00 0.00 H new ATOM 0 HE22 GLN A 415 11.611 -8.218 -0.510 1.00 0.00 H new ATOM 546 N ASP A 416 5.972 -8.206 -3.774 1.00 0.00 N ATOM 547 CA ASP A 416 4.658 -8.532 -4.318 1.00 0.00 C ATOM 548 C ASP A 416 3.687 -7.372 -4.123 1.00 0.00 C ATOM 549 O ASP A 416 3.108 -6.866 -5.085 1.00 0.00 O ATOM 550 CB ASP A 416 4.106 -9.792 -3.651 1.00 0.00 C ATOM 551 CG ASP A 416 5.098 -10.941 -3.672 1.00 0.00 C ATOM 552 OD1 ASP A 416 5.581 -11.284 -4.769 1.00 0.00 O ATOM 553 OD2 ASP A 416 5.387 -11.494 -2.591 1.00 0.00 O ATOM 0 H ASP A 416 6.448 -8.987 -3.324 1.00 0.00 H new ATOM 0 HA ASP A 416 4.769 -8.714 -5.387 1.00 0.00 H new ATOM 0 HB2 ASP A 416 3.838 -9.566 -2.619 1.00 0.00 H new ATOM 0 HB3 ASP A 416 3.191 -10.097 -4.158 1.00 0.00 H new ATOM 558 N LEU A 417 3.512 -6.956 -2.874 1.00 0.00 N ATOM 559 CA LEU A 417 2.610 -5.855 -2.553 1.00 0.00 C ATOM 560 C LEU A 417 2.925 -4.627 -3.402 1.00 0.00 C ATOM 561 O LEU A 417 2.021 -3.938 -3.874 1.00 0.00 O ATOM 562 CB LEU A 417 2.712 -5.503 -1.068 1.00 0.00 C ATOM 563 CG LEU A 417 1.831 -4.348 -0.590 1.00 0.00 C ATOM 564 CD1 LEU A 417 0.360 -4.705 -0.734 1.00 0.00 C ATOM 565 CD2 LEU A 417 2.157 -3.990 0.852 1.00 0.00 C ATOM 0 H LEU A 417 3.983 -7.364 -2.066 1.00 0.00 H new ATOM 0 HA LEU A 417 1.592 -6.175 -2.775 1.00 0.00 H new ATOM 0 HB2 LEU A 417 2.460 -6.390 -0.487 1.00 0.00 H new ATOM 0 HB3 LEU A 417 3.750 -5.259 -0.844 1.00 0.00 H new ATOM 0 HG LEU A 417 2.035 -3.478 -1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 417 -0.252 -3.872 -0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 417 0.136 -4.911 -1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 417 0.140 -5.589 -0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 417 1.521 -3.166 1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 417 1.982 -4.856 1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 417 3.203 -3.691 0.925 1.00 0.00 H new ATOM 577 N LEU A 418 4.212 -4.361 -3.593 1.00 0.00 N ATOM 578 CA LEU A 418 4.648 -3.218 -4.387 1.00 0.00 C ATOM 579 C LEU A 418 4.331 -3.429 -5.864 1.00 0.00 C ATOM 580 O LEU A 418 3.940 -2.495 -6.564 1.00 0.00 O ATOM 581 CB LEU A 418 6.148 -2.985 -4.203 1.00 0.00 C ATOM 582 CG LEU A 418 6.809 -2.041 -5.209 1.00 0.00 C ATOM 583 CD1 LEU A 418 6.310 -0.618 -5.012 1.00 0.00 C ATOM 584 CD2 LEU A 418 8.324 -2.100 -5.079 1.00 0.00 C ATOM 0 H LEU A 418 4.972 -4.922 -3.209 1.00 0.00 H new ATOM 0 HA LEU A 418 4.106 -2.338 -4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 418 6.314 -2.590 -3.201 1.00 0.00 H new ATOM 0 HB3 LEU A 418 6.654 -3.949 -4.253 1.00 0.00 H new ATOM 0 HG LEU A 418 6.538 -2.363 -6.214 1.00 0.00 H new ATOM 0 HD11 LEU A 418 6.791 0.040 -5.736 1.00 0.00 H new ATOM 0 HD12 LEU A 418 5.230 -0.588 -5.156 1.00 0.00 H new ATOM 0 HD13 LEU A 418 6.551 -0.284 -4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 418 8.778 -1.422 -5.802 1.00 0.00 H new ATOM 0 HD22 LEU A 418 8.615 -1.803 -4.071 1.00 0.00 H new ATOM 0 HD23 LEU A 418 8.666 -3.117 -5.270 1.00 0.00 H new ATOM 596 N GLN A 419 4.502 -4.662 -6.330 1.00 0.00 N ATOM 597 CA GLN A 419 4.233 -4.995 -7.724 1.00 0.00 C ATOM 598 C GLN A 419 2.733 -5.030 -7.996 1.00 0.00 C ATOM 599 O GLN A 419 2.299 -4.972 -9.146 1.00 0.00 O ATOM 600 CB GLN A 419 4.858 -6.346 -8.077 1.00 0.00 C ATOM 601 CG GLN A 419 6.378 -6.324 -8.106 1.00 0.00 C ATOM 602 CD GLN A 419 6.978 -7.700 -8.316 1.00 0.00 C ATOM 603 OE1 GLN A 419 6.414 -8.708 -7.888 1.00 0.00 O ATOM 604 NE2 GLN A 419 8.128 -7.751 -8.977 1.00 0.00 N ATOM 0 H GLN A 419 4.825 -5.446 -5.763 1.00 0.00 H new ATOM 0 HA GLN A 419 4.679 -4.221 -8.349 1.00 0.00 H new ATOM 0 HB2 GLN A 419 4.527 -7.090 -7.353 1.00 0.00 H new ATOM 0 HB3 GLN A 419 4.489 -6.664 -9.052 1.00 0.00 H new ATOM 0 HG2 GLN A 419 6.713 -5.660 -8.903 1.00 0.00 H new ATOM 0 HG3 GLN A 419 6.749 -5.909 -7.169 1.00 0.00 H new ATOM 0 HE21 GLN A 419 8.561 -6.891 -9.314 1.00 0.00 H new ATOM 0 HE22 GLN A 419 8.579 -8.650 -9.148 1.00 0.00 H new ATOM 613 N MET A 420 1.945 -5.124 -6.930 1.00 0.00 N ATOM 614 CA MET A 420 0.492 -5.166 -7.054 1.00 0.00 C ATOM 615 C MET A 420 -0.095 -3.757 -7.038 1.00 0.00 C ATOM 616 O MET A 420 -1.266 -3.559 -7.360 1.00 0.00 O ATOM 617 CB MET A 420 -0.114 -5.997 -5.923 1.00 0.00 C ATOM 618 CG MET A 420 -1.635 -6.021 -5.935 1.00 0.00 C ATOM 619 SD MET A 420 -2.309 -7.553 -5.264 1.00 0.00 S ATOM 620 CE MET A 420 -2.762 -7.030 -3.612 1.00 0.00 C ATOM 0 H MET A 420 2.288 -5.173 -5.971 1.00 0.00 H new ATOM 0 HA MET A 420 0.246 -5.632 -8.008 1.00 0.00 H new ATOM 0 HB2 MET A 420 0.258 -7.019 -5.994 1.00 0.00 H new ATOM 0 HB3 MET A 420 0.228 -5.599 -4.967 1.00 0.00 H new ATOM 0 HG2 MET A 420 -2.013 -5.178 -5.356 1.00 0.00 H new ATOM 0 HG3 MET A 420 -1.989 -5.890 -6.958 1.00 0.00 H new ATOM 0 HE1 MET A 420 -3.079 -7.896 -3.030 1.00 0.00 H new ATOM 0 HE2 MET A 420 -1.903 -6.563 -3.130 1.00 0.00 H new ATOM 0 HE3 MET A 420 -3.580 -6.312 -3.669 1.00 0.00 H new ATOM 630 N PHE A 421 0.727 -2.783 -6.661 1.00 0.00 N ATOM 631 CA PHE A 421 0.288 -1.394 -6.601 1.00 0.00 C ATOM 632 C PHE A 421 0.980 -0.558 -7.675 1.00 0.00 C ATOM 633 O PHE A 421 0.745 0.644 -7.788 1.00 0.00 O ATOM 634 CB PHE A 421 0.574 -0.805 -5.218 1.00 0.00 C ATOM 635 CG PHE A 421 -0.446 -1.186 -4.183 1.00 0.00 C ATOM 636 CD1 PHE A 421 -0.762 -2.517 -3.960 1.00 0.00 C ATOM 637 CD2 PHE A 421 -1.088 -0.214 -3.432 1.00 0.00 C ATOM 638 CE1 PHE A 421 -1.700 -2.871 -3.008 1.00 0.00 C ATOM 639 CE2 PHE A 421 -2.026 -0.563 -2.479 1.00 0.00 C ATOM 640 CZ PHE A 421 -2.332 -1.892 -2.267 1.00 0.00 C ATOM 0 H PHE A 421 1.700 -2.930 -6.393 1.00 0.00 H new ATOM 0 HA PHE A 421 -0.786 -1.371 -6.783 1.00 0.00 H new ATOM 0 HB2 PHE A 421 1.558 -1.137 -4.887 1.00 0.00 H new ATOM 0 HB3 PHE A 421 0.613 0.282 -5.295 1.00 0.00 H new ATOM 0 HD1 PHE A 421 -0.270 -3.286 -4.536 1.00 0.00 H new ATOM 0 HD2 PHE A 421 -0.853 0.828 -3.593 1.00 0.00 H new ATOM 0 HE1 PHE A 421 -1.938 -3.912 -2.844 1.00 0.00 H new ATOM 0 HE2 PHE A 421 -2.519 0.204 -1.900 1.00 0.00 H new ATOM 0 HZ PHE A 421 -3.065 -2.166 -1.522 1.00 0.00 H new ATOM 650 N MET A 422 1.836 -1.205 -8.459 1.00 0.00 N ATOM 651 CA MET A 422 2.563 -0.522 -9.524 1.00 0.00 C ATOM 652 C MET A 422 1.630 -0.166 -10.676 1.00 0.00 C ATOM 653 O MET A 422 1.646 0.950 -11.197 1.00 0.00 O ATOM 654 CB MET A 422 3.708 -1.400 -10.032 1.00 0.00 C ATOM 655 CG MET A 422 5.034 -1.129 -9.341 1.00 0.00 C ATOM 656 SD MET A 422 6.450 -1.670 -10.317 1.00 0.00 S ATOM 657 CE MET A 422 7.493 -2.372 -9.042 1.00 0.00 C ATOM 0 H MET A 422 2.043 -2.200 -8.377 1.00 0.00 H new ATOM 0 HA MET A 422 2.976 0.401 -9.116 1.00 0.00 H new ATOM 0 HB2 MET A 422 3.442 -2.448 -9.891 1.00 0.00 H new ATOM 0 HB3 MET A 422 3.827 -1.243 -11.104 1.00 0.00 H new ATOM 0 HG2 MET A 422 5.123 -0.061 -9.140 1.00 0.00 H new ATOM 0 HG3 MET A 422 5.047 -1.637 -8.377 1.00 0.00 H new ATOM 0 HE1 MET A 422 8.411 -2.751 -9.491 1.00 0.00 H new ATOM 0 HE2 MET A 422 7.738 -1.604 -8.308 1.00 0.00 H new ATOM 0 HE3 MET A 422 6.966 -3.189 -8.550 1.00 0.00 H new ATOM 667 N PRO A 423 0.795 -1.132 -11.085 1.00 0.00 N ATOM 668 CA PRO A 423 -0.161 -0.943 -12.180 1.00 0.00 C ATOM 669 C PRO A 423 -0.956 0.350 -12.038 1.00 0.00 C ATOM 670 O PRO A 423 -1.257 1.018 -13.029 1.00 0.00 O ATOM 671 CB PRO A 423 -1.087 -2.156 -12.057 1.00 0.00 C ATOM 672 CG PRO A 423 -0.257 -3.199 -11.392 1.00 0.00 C ATOM 673 CD PRO A 423 0.720 -2.486 -10.509 1.00 0.00 C ATOM 0 HA PRO A 423 0.337 -0.866 -13.147 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -1.973 -1.920 -11.468 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -1.434 -2.490 -13.035 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -0.882 -3.875 -10.808 1.00 0.00 H new ATOM 0 HG3 PRO A 423 0.264 -3.806 -12.132 1.00 0.00 H new ATOM 0 HD2 PRO A 423 0.379 -2.462 -9.474 1.00 0.00 H new ATOM 0 HD3 PRO A 423 1.694 -2.976 -10.513 1.00 0.00 H new ATOM 681 N PHE A 424 -1.293 0.700 -10.802 1.00 0.00 N ATOM 682 CA PHE A 424 -2.054 1.913 -10.530 1.00 0.00 C ATOM 683 C PHE A 424 -1.210 3.156 -10.802 1.00 0.00 C ATOM 684 O PHE A 424 -1.717 4.173 -11.273 1.00 0.00 O ATOM 685 CB PHE A 424 -2.542 1.922 -9.080 1.00 0.00 C ATOM 686 CG PHE A 424 -3.521 0.825 -8.771 1.00 0.00 C ATOM 687 CD1 PHE A 424 -4.881 1.025 -8.942 1.00 0.00 C ATOM 688 CD2 PHE A 424 -3.080 -0.404 -8.309 1.00 0.00 C ATOM 689 CE1 PHE A 424 -5.785 0.018 -8.659 1.00 0.00 C ATOM 690 CE2 PHE A 424 -3.979 -1.416 -8.025 1.00 0.00 C ATOM 691 CZ PHE A 424 -5.333 -1.204 -8.199 1.00 0.00 C ATOM 0 H PHE A 424 -1.051 0.160 -9.971 1.00 0.00 H new ATOM 0 HA PHE A 424 -2.917 1.927 -11.196 1.00 0.00 H new ATOM 0 HB2 PHE A 424 -1.683 1.830 -8.415 1.00 0.00 H new ATOM 0 HB3 PHE A 424 -3.008 2.884 -8.868 1.00 0.00 H new ATOM 0 HD1 PHE A 424 -5.239 1.979 -9.301 1.00 0.00 H new ATOM 0 HD2 PHE A 424 -2.023 -0.574 -8.169 1.00 0.00 H new ATOM 0 HE1 PHE A 424 -6.843 0.186 -8.797 1.00 0.00 H new ATOM 0 HE2 PHE A 424 -3.623 -2.371 -7.668 1.00 0.00 H new ATOM 0 HZ PHE A 424 -6.037 -1.992 -7.976 1.00 0.00 H new ATOM 701 N GLY A 425 0.082 3.065 -10.500 1.00 0.00 N ATOM 702 CA GLY A 425 0.975 4.187 -10.716 1.00 0.00 C ATOM 703 C GLY A 425 2.352 3.955 -10.127 1.00 0.00 C ATOM 704 O GLY A 425 2.731 2.819 -9.850 1.00 0.00 O ATOM 0 H GLY A 425 0.525 2.234 -10.110 1.00 0.00 H new ATOM 0 HA2 GLY A 425 1.068 4.373 -11.786 1.00 0.00 H new ATOM 0 HA3 GLY A 425 0.540 5.083 -10.274 1.00 0.00 H new ATOM 708 N ASN A 426 3.104 5.035 -9.938 1.00 0.00 N ATOM 709 CA ASN A 426 4.448 4.942 -9.380 1.00 0.00 C ATOM 710 C ASN A 426 4.406 4.953 -7.855 1.00 0.00 C ATOM 711 O ASN A 426 4.189 5.993 -7.236 1.00 0.00 O ATOM 712 CB ASN A 426 5.312 6.100 -9.885 1.00 0.00 C ATOM 713 CG ASN A 426 5.121 6.361 -11.366 1.00 0.00 C ATOM 714 OD1 ASN A 426 4.998 5.429 -12.162 1.00 0.00 O ATOM 715 ND2 ASN A 426 5.096 7.633 -11.745 1.00 0.00 N ATOM 0 H ASN A 426 2.805 5.984 -10.163 1.00 0.00 H new ATOM 0 HA ASN A 426 4.886 3.999 -9.707 1.00 0.00 H new ATOM 0 HB2 ASN A 426 5.068 7.003 -9.325 1.00 0.00 H new ATOM 0 HB3 ASN A 426 6.361 5.878 -9.690 1.00 0.00 H new ATOM 0 HD21 ASN A 426 4.971 7.870 -12.729 1.00 0.00 H new ATOM 0 HD22 ASN A 426 5.202 8.374 -11.052 1.00 0.00 H new ATOM 722 N VAL A 427 4.616 3.785 -7.255 1.00 0.00 N ATOM 723 CA VAL A 427 4.605 3.658 -5.803 1.00 0.00 C ATOM 724 C VAL A 427 5.870 4.249 -5.190 1.00 0.00 C ATOM 725 O VAL A 427 6.982 3.938 -5.616 1.00 0.00 O ATOM 726 CB VAL A 427 4.476 2.186 -5.369 1.00 0.00 C ATOM 727 CG1 VAL A 427 4.513 2.071 -3.853 1.00 0.00 C ATOM 728 CG2 VAL A 427 3.200 1.575 -5.928 1.00 0.00 C ATOM 0 H VAL A 427 4.796 2.913 -7.753 1.00 0.00 H new ATOM 0 HA VAL A 427 3.738 4.212 -5.443 1.00 0.00 H new ATOM 0 HB VAL A 427 5.323 1.631 -5.772 1.00 0.00 H new ATOM 0 HG11 VAL A 427 4.421 1.024 -3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 427 5.458 2.468 -3.481 1.00 0.00 H new ATOM 0 HG13 VAL A 427 3.687 2.639 -3.425 1.00 0.00 H new ATOM 0 HG21 VAL A 427 3.126 0.535 -5.611 1.00 0.00 H new ATOM 0 HG22 VAL A 427 2.338 2.130 -5.557 1.00 0.00 H new ATOM 0 HG23 VAL A 427 3.221 1.622 -7.017 1.00 0.00 H new ATOM 738 N VAL A 428 5.691 5.102 -4.187 1.00 0.00 N ATOM 739 CA VAL A 428 6.818 5.736 -3.512 1.00 0.00 C ATOM 740 C VAL A 428 7.357 4.851 -2.394 1.00 0.00 C ATOM 741 O VAL A 428 8.566 4.651 -2.276 1.00 0.00 O ATOM 742 CB VAL A 428 6.423 7.104 -2.925 1.00 0.00 C ATOM 743 CG1 VAL A 428 7.548 7.660 -2.066 1.00 0.00 C ATOM 744 CG2 VAL A 428 6.059 8.075 -4.037 1.00 0.00 C ATOM 0 H VAL A 428 4.777 5.370 -3.824 1.00 0.00 H new ATOM 0 HA VAL A 428 7.595 5.882 -4.262 1.00 0.00 H new ATOM 0 HB VAL A 428 5.547 6.970 -2.291 1.00 0.00 H new ATOM 0 HG11 VAL A 428 7.252 8.627 -1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 428 7.756 6.971 -1.248 1.00 0.00 H new ATOM 0 HG13 VAL A 428 8.444 7.782 -2.674 1.00 0.00 H new ATOM 0 HG21 VAL A 428 5.782 9.036 -3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 428 6.915 8.208 -4.699 1.00 0.00 H new ATOM 0 HG23 VAL A 428 5.218 7.678 -4.606 1.00 0.00 H new ATOM 754 N SER A 429 6.453 4.323 -1.576 1.00 0.00 N ATOM 755 CA SER A 429 6.838 3.462 -0.464 1.00 0.00 C ATOM 756 C SER A 429 6.010 2.180 -0.458 1.00 0.00 C ATOM 757 O SER A 429 4.829 2.189 -0.804 1.00 0.00 O ATOM 758 CB SER A 429 6.663 4.200 0.865 1.00 0.00 C ATOM 759 OG SER A 429 6.751 3.306 1.961 1.00 0.00 O ATOM 0 H SER A 429 5.448 4.476 -1.662 1.00 0.00 H new ATOM 0 HA SER A 429 7.888 3.197 -0.589 1.00 0.00 H new ATOM 0 HB2 SER A 429 7.427 4.972 0.959 1.00 0.00 H new ATOM 0 HB3 SER A 429 5.697 4.704 0.880 1.00 0.00 H new ATOM 0 HG SER A 429 6.763 3.815 2.798 1.00 0.00 H new ATOM 765 N ALA A 430 6.640 1.078 -0.063 1.00 0.00 N ATOM 766 CA ALA A 430 5.964 -0.212 -0.010 1.00 0.00 C ATOM 767 C ALA A 430 6.717 -1.190 0.886 1.00 0.00 C ATOM 768 O ALA A 430 7.864 -1.542 0.613 1.00 0.00 O ATOM 769 CB ALA A 430 5.811 -0.786 -1.411 1.00 0.00 C ATOM 0 H ALA A 430 7.618 1.053 0.225 1.00 0.00 H new ATOM 0 HA ALA A 430 4.973 -0.058 0.417 1.00 0.00 H new ATOM 0 HB1 ALA A 430 5.304 -1.750 -1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 430 5.223 -0.101 -2.022 1.00 0.00 H new ATOM 0 HB3 ALA A 430 6.796 -0.919 -1.859 1.00 0.00 H new ATOM 775 N LYS A 431 6.063 -1.626 1.957 1.00 0.00 N ATOM 776 CA LYS A 431 6.669 -2.565 2.895 1.00 0.00 C ATOM 777 C LYS A 431 5.603 -3.253 3.740 1.00 0.00 C ATOM 778 O LYS A 431 4.538 -2.690 3.996 1.00 0.00 O ATOM 779 CB LYS A 431 7.666 -1.840 3.802 1.00 0.00 C ATOM 780 CG LYS A 431 8.131 -2.674 4.983 1.00 0.00 C ATOM 781 CD LYS A 431 7.201 -2.521 6.174 1.00 0.00 C ATOM 782 CE LYS A 431 7.630 -1.370 7.072 1.00 0.00 C ATOM 783 NZ LYS A 431 8.978 -1.598 7.661 1.00 0.00 N ATOM 0 H LYS A 431 5.113 -1.344 2.198 1.00 0.00 H new ATOM 0 HA LYS A 431 7.198 -3.325 2.320 1.00 0.00 H new ATOM 0 HB2 LYS A 431 8.534 -1.545 3.212 1.00 0.00 H new ATOM 0 HB3 LYS A 431 7.207 -0.924 4.173 1.00 0.00 H new ATOM 0 HG2 LYS A 431 8.181 -3.723 4.692 1.00 0.00 H new ATOM 0 HG3 LYS A 431 9.140 -2.374 5.267 1.00 0.00 H new ATOM 0 HD2 LYS A 431 6.183 -2.350 5.823 1.00 0.00 H new ATOM 0 HD3 LYS A 431 7.189 -3.447 6.749 1.00 0.00 H new ATOM 0 HE2 LYS A 431 7.637 -0.444 6.497 1.00 0.00 H new ATOM 0 HE3 LYS A 431 6.901 -1.243 7.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 9.065 -1.061 8.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 9.105 -2.612 7.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 9.708 -1.281 6.991 1.00 0.00 H new ATOM 797 N VAL A 432 5.897 -4.475 4.176 1.00 0.00 N ATOM 798 CA VAL A 432 4.965 -5.239 4.996 1.00 0.00 C ATOM 799 C VAL A 432 5.456 -5.342 6.435 1.00 0.00 C ATOM 800 O VAL A 432 6.642 -5.559 6.684 1.00 0.00 O ATOM 801 CB VAL A 432 4.756 -6.658 4.433 1.00 0.00 C ATOM 802 CG1 VAL A 432 3.886 -7.481 5.371 1.00 0.00 C ATOM 803 CG2 VAL A 432 4.144 -6.595 3.042 1.00 0.00 C ATOM 0 H VAL A 432 6.773 -4.956 3.974 1.00 0.00 H new ATOM 0 HA VAL A 432 4.015 -4.705 4.977 1.00 0.00 H new ATOM 0 HB VAL A 432 5.727 -7.146 4.355 1.00 0.00 H new ATOM 0 HG11 VAL A 432 3.749 -8.480 4.957 1.00 0.00 H new ATOM 0 HG12 VAL A 432 4.370 -7.555 6.345 1.00 0.00 H new ATOM 0 HG13 VAL A 432 2.915 -6.999 5.484 1.00 0.00 H new ATOM 0 HG21 VAL A 432 4.004 -7.606 2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 432 3.180 -6.089 3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 432 4.809 -6.045 2.376 1.00 0.00 H new ATOM 813 N PHE A 433 4.536 -5.184 7.381 1.00 0.00 N ATOM 814 CA PHE A 433 4.875 -5.259 8.798 1.00 0.00 C ATOM 815 C PHE A 433 4.999 -6.710 9.251 1.00 0.00 C ATOM 816 O PHE A 433 4.377 -7.606 8.679 1.00 0.00 O ATOM 817 CB PHE A 433 3.817 -4.538 9.635 1.00 0.00 C ATOM 818 CG PHE A 433 3.982 -3.046 9.655 1.00 0.00 C ATOM 819 CD1 PHE A 433 4.317 -2.357 8.502 1.00 0.00 C ATOM 820 CD2 PHE A 433 3.804 -2.331 10.829 1.00 0.00 C ATOM 821 CE1 PHE A 433 4.470 -0.983 8.515 1.00 0.00 C ATOM 822 CE2 PHE A 433 3.955 -0.958 10.851 1.00 0.00 C ATOM 823 CZ PHE A 433 4.289 -0.283 9.693 1.00 0.00 C ATOM 0 H PHE A 433 3.550 -5.003 7.192 1.00 0.00 H new ATOM 0 HA PHE A 433 5.838 -4.769 8.943 1.00 0.00 H new ATOM 0 HB2 PHE A 433 2.829 -4.781 9.244 1.00 0.00 H new ATOM 0 HB3 PHE A 433 3.857 -4.913 10.658 1.00 0.00 H new ATOM 0 HD1 PHE A 433 4.461 -2.900 7.580 1.00 0.00 H new ATOM 0 HD2 PHE A 433 3.544 -2.854 11.738 1.00 0.00 H new ATOM 0 HE1 PHE A 433 4.730 -0.458 7.608 1.00 0.00 H new ATOM 0 HE2 PHE A 433 3.812 -0.413 11.772 1.00 0.00 H new ATOM 0 HZ PHE A 433 4.409 0.790 9.708 1.00 0.00 H new ATOM 983 N CYS A 443 -0.358 -9.604 8.126 1.00 0.00 N ATOM 984 CA CYS A 443 -1.306 -9.505 7.021 1.00 0.00 C ATOM 985 C CYS A 443 -1.681 -8.051 6.754 1.00 0.00 C ATOM 986 O CYS A 443 -2.842 -7.736 6.492 1.00 0.00 O ATOM 987 CB CYS A 443 -2.563 -10.320 7.328 1.00 0.00 C ATOM 988 SG CYS A 443 -3.568 -9.651 8.673 1.00 0.00 S ATOM 0 HA CYS A 443 -0.829 -9.907 6.127 1.00 0.00 H new ATOM 0 HB2 CYS A 443 -3.174 -10.378 6.427 1.00 0.00 H new ATOM 0 HB3 CYS A 443 -2.269 -11.339 7.581 1.00 0.00 H new ATOM 0 HG CYS A 443 -3.829 -8.399 8.439 1.00 0.00 H new ATOM 994 N PHE A 444 -0.689 -7.168 6.824 1.00 0.00 N ATOM 995 CA PHE A 444 -0.915 -5.746 6.592 1.00 0.00 C ATOM 996 C PHE A 444 0.397 -5.029 6.292 1.00 0.00 C ATOM 997 O PHE A 444 1.419 -5.289 6.926 1.00 0.00 O ATOM 998 CB PHE A 444 -1.590 -5.110 7.810 1.00 0.00 C ATOM 999 CG PHE A 444 -0.636 -4.792 8.925 1.00 0.00 C ATOM 1000 CD1 PHE A 444 0.162 -3.660 8.871 1.00 0.00 C ATOM 1001 CD2 PHE A 444 -0.538 -5.623 10.029 1.00 0.00 C ATOM 1002 CE1 PHE A 444 1.040 -3.366 9.895 1.00 0.00 C ATOM 1003 CE2 PHE A 444 0.338 -5.333 11.058 1.00 0.00 C ATOM 1004 CZ PHE A 444 1.128 -4.202 10.991 1.00 0.00 C ATOM 0 H PHE A 444 0.278 -7.412 7.039 1.00 0.00 H new ATOM 0 HA PHE A 444 -1.570 -5.644 5.727 1.00 0.00 H new ATOM 0 HB2 PHE A 444 -2.092 -4.194 7.500 1.00 0.00 H new ATOM 0 HB3 PHE A 444 -2.360 -5.785 8.183 1.00 0.00 H new ATOM 0 HD1 PHE A 444 0.096 -3.001 8.018 1.00 0.00 H new ATOM 0 HD2 PHE A 444 -1.154 -6.508 10.086 1.00 0.00 H new ATOM 0 HE1 PHE A 444 1.658 -2.482 9.839 1.00 0.00 H new ATOM 0 HE2 PHE A 444 0.405 -5.990 11.913 1.00 0.00 H new ATOM 0 HZ PHE A 444 1.813 -3.972 11.794 1.00 0.00 H new ATOM 1014 N GLY A 445 0.361 -4.124 5.319 1.00 0.00 N ATOM 1015 CA GLY A 445 1.554 -3.383 4.950 1.00 0.00 C ATOM 1016 C GLY A 445 1.278 -1.907 4.741 1.00 0.00 C ATOM 1017 O GLY A 445 0.130 -1.468 4.803 1.00 0.00 O ATOM 0 H GLY A 445 -0.473 -3.890 4.779 1.00 0.00 H new ATOM 0 HA2 GLY A 445 2.307 -3.502 5.729 1.00 0.00 H new ATOM 0 HA3 GLY A 445 1.972 -3.804 4.036 1.00 0.00 H new ATOM 1021 N PHE A 446 2.334 -1.139 4.492 1.00 0.00 N ATOM 1022 CA PHE A 446 2.200 0.297 4.275 1.00 0.00 C ATOM 1023 C PHE A 446 2.621 0.674 2.857 1.00 0.00 C ATOM 1024 O PHE A 446 3.534 0.076 2.289 1.00 0.00 O ATOM 1025 CB PHE A 446 3.044 1.068 5.292 1.00 0.00 C ATOM 1026 CG PHE A 446 3.045 2.553 5.066 1.00 0.00 C ATOM 1027 CD1 PHE A 446 1.855 3.259 5.005 1.00 0.00 C ATOM 1028 CD2 PHE A 446 4.238 3.242 4.913 1.00 0.00 C ATOM 1029 CE1 PHE A 446 1.855 4.626 4.797 1.00 0.00 C ATOM 1030 CE2 PHE A 446 4.244 4.608 4.705 1.00 0.00 C ATOM 1031 CZ PHE A 446 3.051 5.301 4.647 1.00 0.00 C ATOM 0 H PHE A 446 3.291 -1.487 4.436 1.00 0.00 H new ATOM 0 HA PHE A 446 1.151 0.564 4.407 1.00 0.00 H new ATOM 0 HB2 PHE A 446 2.669 0.861 6.295 1.00 0.00 H new ATOM 0 HB3 PHE A 446 4.070 0.702 5.253 1.00 0.00 H new ATOM 0 HD1 PHE A 446 0.917 2.736 5.121 1.00 0.00 H new ATOM 0 HD2 PHE A 446 5.174 2.705 4.957 1.00 0.00 H new ATOM 0 HE1 PHE A 446 0.921 5.166 4.752 1.00 0.00 H new ATOM 0 HE2 PHE A 446 5.181 5.133 4.588 1.00 0.00 H new ATOM 0 HZ PHE A 446 3.053 6.369 4.485 1.00 0.00 H new ATOM 1041 N VAL A 447 1.948 1.671 2.292 1.00 0.00 N ATOM 1042 CA VAL A 447 2.252 2.130 0.942 1.00 0.00 C ATOM 1043 C VAL A 447 1.911 3.607 0.774 1.00 0.00 C ATOM 1044 O VAL A 447 1.014 4.127 1.437 1.00 0.00 O ATOM 1045 CB VAL A 447 1.482 1.314 -0.114 1.00 0.00 C ATOM 1046 CG1 VAL A 447 1.650 1.933 -1.493 1.00 0.00 C ATOM 1047 CG2 VAL A 447 1.946 -0.134 -0.110 1.00 0.00 C ATOM 0 H VAL A 447 1.189 2.176 2.748 1.00 0.00 H new ATOM 0 HA VAL A 447 3.322 1.988 0.792 1.00 0.00 H new ATOM 0 HB VAL A 447 0.422 1.332 0.139 1.00 0.00 H new ATOM 0 HG11 VAL A 447 1.099 1.343 -2.226 1.00 0.00 H new ATOM 0 HG12 VAL A 447 1.264 2.952 -1.484 1.00 0.00 H new ATOM 0 HG13 VAL A 447 2.707 1.947 -1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 447 1.392 -0.696 -0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 447 3.011 -0.175 -0.338 1.00 0.00 H new ATOM 0 HG23 VAL A 447 1.768 -0.570 0.873 1.00 0.00 H new ATOM 1057 N SER A 448 2.634 4.277 -0.118 1.00 0.00 N ATOM 1058 CA SER A 448 2.412 5.695 -0.371 1.00 0.00 C ATOM 1059 C SER A 448 2.713 6.041 -1.826 1.00 0.00 C ATOM 1060 O SER A 448 3.511 5.372 -2.482 1.00 0.00 O ATOM 1061 CB SER A 448 3.283 6.543 0.557 1.00 0.00 C ATOM 1062 OG SER A 448 2.673 6.702 1.827 1.00 0.00 O ATOM 0 H SER A 448 3.378 3.860 -0.677 1.00 0.00 H new ATOM 0 HA SER A 448 1.363 5.914 -0.173 1.00 0.00 H new ATOM 0 HB2 SER A 448 4.259 6.072 0.675 1.00 0.00 H new ATOM 0 HB3 SER A 448 3.454 7.521 0.107 1.00 0.00 H new ATOM 0 HG SER A 448 3.080 6.080 2.466 1.00 0.00 H new ATOM 1068 N TYR A 449 2.069 7.091 -2.324 1.00 0.00 N ATOM 1069 CA TYR A 449 2.265 7.525 -3.702 1.00 0.00 C ATOM 1070 C TYR A 449 2.909 8.907 -3.751 1.00 0.00 C ATOM 1071 O TYR A 449 3.280 9.469 -2.721 1.00 0.00 O ATOM 1072 CB TYR A 449 0.929 7.546 -4.447 1.00 0.00 C ATOM 1073 CG TYR A 449 0.481 6.184 -4.926 1.00 0.00 C ATOM 1074 CD1 TYR A 449 0.466 5.094 -4.064 1.00 0.00 C ATOM 1075 CD2 TYR A 449 0.074 5.986 -6.239 1.00 0.00 C ATOM 1076 CE1 TYR A 449 0.058 3.846 -4.497 1.00 0.00 C ATOM 1077 CE2 TYR A 449 -0.337 4.742 -6.680 1.00 0.00 C ATOM 1078 CZ TYR A 449 -0.343 3.676 -5.806 1.00 0.00 C ATOM 1079 OH TYR A 449 -0.750 2.436 -6.242 1.00 0.00 O ATOM 0 H TYR A 449 1.407 7.657 -1.794 1.00 0.00 H new ATOM 0 HA TYR A 449 2.934 6.815 -4.188 1.00 0.00 H new ATOM 0 HB2 TYR A 449 0.164 7.961 -3.791 1.00 0.00 H new ATOM 0 HB3 TYR A 449 1.011 8.214 -5.304 1.00 0.00 H new ATOM 0 HD1 TYR A 449 0.778 5.224 -3.038 1.00 0.00 H new ATOM 0 HD2 TYR A 449 0.079 6.818 -6.927 1.00 0.00 H new ATOM 0 HE1 TYR A 449 0.053 3.009 -3.814 1.00 0.00 H new ATOM 0 HE2 TYR A 449 -0.652 4.606 -7.704 1.00 0.00 H new ATOM 0 HH TYR A 449 -0.038 2.028 -6.778 1.00 0.00 H new ATOM 1089 N ASP A 450 3.038 9.450 -4.957 1.00 0.00 N ATOM 1090 CA ASP A 450 3.636 10.767 -5.142 1.00 0.00 C ATOM 1091 C ASP A 450 2.616 11.869 -4.876 1.00 0.00 C ATOM 1092 O ASP A 450 2.977 13.025 -4.663 1.00 0.00 O ATOM 1093 CB ASP A 450 4.193 10.903 -6.561 1.00 0.00 C ATOM 1094 CG ASP A 450 4.385 12.349 -6.971 1.00 0.00 C ATOM 1095 OD1 ASP A 450 5.392 12.957 -6.551 1.00 0.00 O ATOM 1096 OD2 ASP A 450 3.529 12.874 -7.714 1.00 0.00 O ATOM 0 H ASP A 450 2.737 8.999 -5.821 1.00 0.00 H new ATOM 0 HA ASP A 450 4.452 10.872 -4.427 1.00 0.00 H new ATOM 0 HB2 ASP A 450 5.147 10.380 -6.625 1.00 0.00 H new ATOM 0 HB3 ASP A 450 3.515 10.416 -7.262 1.00 0.00 H new ATOM 1101 N ASN A 451 1.338 11.502 -4.890 1.00 0.00 N ATOM 1102 CA ASN A 451 0.264 12.461 -4.651 1.00 0.00 C ATOM 1103 C ASN A 451 -0.992 11.756 -4.152 1.00 0.00 C ATOM 1104 O ASN A 451 -1.215 10.573 -4.410 1.00 0.00 O ATOM 1105 CB ASN A 451 -0.048 13.237 -5.932 1.00 0.00 C ATOM 1106 CG ASN A 451 -0.297 12.324 -7.116 1.00 0.00 C ATOM 1107 OD1 ASN A 451 -0.810 11.216 -6.962 1.00 0.00 O ATOM 1108 ND2 ASN A 451 0.067 12.786 -8.307 1.00 0.00 N ATOM 0 H ASN A 451 1.021 10.548 -5.064 1.00 0.00 H new ATOM 0 HA ASN A 451 0.597 13.159 -3.883 1.00 0.00 H new ATOM 0 HB2 ASN A 451 -0.925 13.863 -5.769 1.00 0.00 H new ATOM 0 HB3 ASN A 451 0.783 13.905 -6.160 1.00 0.00 H new ATOM 0 HD21 ASN A 451 -0.075 12.216 -9.141 1.00 0.00 H new ATOM 0 HD22 ASN A 451 0.489 13.711 -8.388 1.00 0.00 H new ATOM 1115 N PRO A 452 -1.835 12.498 -3.418 1.00 0.00 N ATOM 1116 CA PRO A 452 -3.084 11.966 -2.867 1.00 0.00 C ATOM 1117 C PRO A 452 -4.152 11.767 -3.938 1.00 0.00 C ATOM 1118 O PRO A 452 -5.222 11.221 -3.669 1.00 0.00 O ATOM 1119 CB PRO A 452 -3.521 13.043 -1.872 1.00 0.00 C ATOM 1120 CG PRO A 452 -2.930 14.306 -2.397 1.00 0.00 C ATOM 1121 CD PRO A 452 -1.633 13.915 -3.070 1.00 0.00 C ATOM 0 HA PRO A 452 -2.944 10.983 -2.418 1.00 0.00 H new ATOM 0 HB2 PRO A 452 -4.607 13.109 -1.812 1.00 0.00 H new ATOM 0 HB3 PRO A 452 -3.159 12.824 -0.867 1.00 0.00 H new ATOM 0 HG2 PRO A 452 -3.606 14.788 -3.104 1.00 0.00 H new ATOM 0 HG3 PRO A 452 -2.752 15.017 -1.591 1.00 0.00 H new ATOM 0 HD2 PRO A 452 -1.442 14.522 -3.955 1.00 0.00 H new ATOM 0 HD3 PRO A 452 -0.780 14.046 -2.404 1.00 0.00 H new ATOM 1129 N VAL A 453 -3.853 12.211 -5.154 1.00 0.00 N ATOM 1130 CA VAL A 453 -4.787 12.081 -6.267 1.00 0.00 C ATOM 1131 C VAL A 453 -4.655 10.717 -6.937 1.00 0.00 C ATOM 1132 O VAL A 453 -5.638 10.156 -7.424 1.00 0.00 O ATOM 1133 CB VAL A 453 -4.563 13.182 -7.320 1.00 0.00 C ATOM 1134 CG1 VAL A 453 -5.507 12.994 -8.498 1.00 0.00 C ATOM 1135 CG2 VAL A 453 -4.740 14.558 -6.698 1.00 0.00 C ATOM 0 H VAL A 453 -2.971 12.664 -5.394 1.00 0.00 H new ATOM 0 HA VAL A 453 -5.790 12.185 -5.853 1.00 0.00 H new ATOM 0 HB VAL A 453 -3.540 13.105 -7.689 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -5.334 13.781 -9.232 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -5.326 12.023 -8.958 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -6.538 13.043 -8.149 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -4.578 15.324 -7.457 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -5.750 14.650 -6.300 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -4.019 14.688 -5.891 1.00 0.00 H new ATOM 1145 N SER A 454 -3.436 10.189 -6.957 1.00 0.00 N ATOM 1146 CA SER A 454 -3.175 8.892 -7.571 1.00 0.00 C ATOM 1147 C SER A 454 -3.437 7.761 -6.581 1.00 0.00 C ATOM 1148 O SER A 454 -3.914 6.691 -6.958 1.00 0.00 O ATOM 1149 CB SER A 454 -1.731 8.823 -8.072 1.00 0.00 C ATOM 1150 OG SER A 454 -1.484 9.814 -9.054 1.00 0.00 O ATOM 0 H SER A 454 -2.613 10.639 -6.555 1.00 0.00 H new ATOM 0 HA SER A 454 -3.851 8.775 -8.418 1.00 0.00 H new ATOM 0 HB2 SER A 454 -1.046 8.957 -7.235 1.00 0.00 H new ATOM 0 HB3 SER A 454 -1.535 7.836 -8.490 1.00 0.00 H new ATOM 0 HG SER A 454 -1.212 10.647 -8.616 1.00 0.00 H new ATOM 1156 N ALA A 455 -3.121 8.007 -5.315 1.00 0.00 N ATOM 1157 CA ALA A 455 -3.323 7.010 -4.270 1.00 0.00 C ATOM 1158 C ALA A 455 -4.781 6.570 -4.206 1.00 0.00 C ATOM 1159 O ALA A 455 -5.088 5.476 -3.733 1.00 0.00 O ATOM 1160 CB ALA A 455 -2.877 7.560 -2.923 1.00 0.00 C ATOM 0 H ALA A 455 -2.724 8.888 -4.987 1.00 0.00 H new ATOM 0 HA ALA A 455 -2.717 6.137 -4.513 1.00 0.00 H new ATOM 0 HB1 ALA A 455 -3.033 6.805 -2.152 1.00 0.00 H new ATOM 0 HB2 ALA A 455 -1.819 7.819 -2.968 1.00 0.00 H new ATOM 0 HB3 ALA A 455 -3.459 8.450 -2.683 1.00 0.00 H new ATOM 1166 N GLN A 456 -5.676 7.429 -4.685 1.00 0.00 N ATOM 1167 CA GLN A 456 -7.102 7.127 -4.682 1.00 0.00 C ATOM 1168 C GLN A 456 -7.419 5.982 -5.638 1.00 0.00 C ATOM 1169 O GLN A 456 -8.039 4.991 -5.251 1.00 0.00 O ATOM 1170 CB GLN A 456 -7.908 8.368 -5.068 1.00 0.00 C ATOM 1171 CG GLN A 456 -8.304 9.231 -3.882 1.00 0.00 C ATOM 1172 CD GLN A 456 -9.033 8.446 -2.808 1.00 0.00 C ATOM 1173 OE1 GLN A 456 -9.976 7.708 -3.094 1.00 0.00 O ATOM 1174 NE2 GLN A 456 -8.601 8.605 -1.563 1.00 0.00 N ATOM 0 H GLN A 456 -5.438 8.339 -5.080 1.00 0.00 H new ATOM 0 HA GLN A 456 -7.380 6.821 -3.674 1.00 0.00 H new ATOM 0 HB2 GLN A 456 -7.323 8.969 -5.764 1.00 0.00 H new ATOM 0 HB3 GLN A 456 -8.809 8.056 -5.596 1.00 0.00 H new ATOM 0 HG2 GLN A 456 -7.411 9.684 -3.453 1.00 0.00 H new ATOM 0 HG3 GLN A 456 -8.941 10.046 -4.227 1.00 0.00 H new ATOM 0 HE21 GLN A 456 -7.816 9.227 -1.371 1.00 0.00 H new ATOM 0 HE22 GLN A 456 -9.054 8.105 -0.798 1.00 0.00 H new ATOM 1183 N ALA A 457 -6.990 6.125 -6.888 1.00 0.00 N ATOM 1184 CA ALA A 457 -7.227 5.102 -7.898 1.00 0.00 C ATOM 1185 C ALA A 457 -7.044 3.703 -7.318 1.00 0.00 C ATOM 1186 O ALA A 457 -7.841 2.803 -7.580 1.00 0.00 O ATOM 1187 CB ALA A 457 -6.297 5.307 -9.086 1.00 0.00 C ATOM 0 H ALA A 457 -6.477 6.940 -7.225 1.00 0.00 H new ATOM 0 HA ALA A 457 -8.259 5.195 -8.237 1.00 0.00 H new ATOM 0 HB1 ALA A 457 -6.485 4.536 -9.833 1.00 0.00 H new ATOM 0 HB2 ALA A 457 -6.478 6.288 -9.525 1.00 0.00 H new ATOM 0 HB3 ALA A 457 -5.261 5.244 -8.752 1.00 0.00 H new ATOM 1193 N ALA A 458 -5.991 3.529 -6.527 1.00 0.00 N ATOM 1194 CA ALA A 458 -5.705 2.241 -5.908 1.00 0.00 C ATOM 1195 C ALA A 458 -6.826 1.825 -4.962 1.00 0.00 C ATOM 1196 O ALA A 458 -7.358 0.719 -5.062 1.00 0.00 O ATOM 1197 CB ALA A 458 -4.379 2.294 -5.165 1.00 0.00 C ATOM 0 H ALA A 458 -5.321 4.264 -6.300 1.00 0.00 H new ATOM 0 HA ALA A 458 -5.636 1.494 -6.699 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -4.179 1.325 -4.708 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -3.579 2.537 -5.865 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -4.427 3.058 -4.389 1.00 0.00 H new ATOM 1203 N ILE A 459 -7.181 2.719 -4.043 1.00 0.00 N ATOM 1204 CA ILE A 459 -8.239 2.444 -3.080 1.00 0.00 C ATOM 1205 C ILE A 459 -9.547 2.098 -3.784 1.00 0.00 C ATOM 1206 O ILE A 459 -10.239 1.155 -3.400 1.00 0.00 O ATOM 1207 CB ILE A 459 -8.475 3.645 -2.145 1.00 0.00 C ATOM 1208 CG1 ILE A 459 -7.196 3.974 -1.371 1.00 0.00 C ATOM 1209 CG2 ILE A 459 -9.619 3.353 -1.187 1.00 0.00 C ATOM 1210 CD1 ILE A 459 -7.182 5.373 -0.798 1.00 0.00 C ATOM 0 H ILE A 459 -6.751 3.639 -3.946 1.00 0.00 H new ATOM 0 HA ILE A 459 -7.911 1.590 -2.487 1.00 0.00 H new ATOM 0 HB ILE A 459 -8.745 4.511 -2.750 1.00 0.00 H new ATOM 0 HG12 ILE A 459 -7.077 3.256 -0.559 1.00 0.00 H new ATOM 0 HG13 ILE A 459 -6.339 3.852 -2.033 1.00 0.00 H new ATOM 0 HG21 ILE A 459 -9.774 4.211 -0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 459 -10.529 3.161 -1.755 1.00 0.00 H new ATOM 0 HG23 ILE A 459 -9.375 2.477 -0.585 1.00 0.00 H new ATOM 0 HD11 ILE A 459 -6.247 5.538 -0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 459 -7.270 6.098 -1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 459 -8.019 5.493 -0.111 1.00 0.00 H new ATOM 1222 N GLN A 460 -9.878 2.867 -4.816 1.00 0.00 N ATOM 1223 CA GLN A 460 -11.103 2.641 -5.575 1.00 0.00 C ATOM 1224 C GLN A 460 -11.339 1.151 -5.796 1.00 0.00 C ATOM 1225 O GLN A 460 -12.390 0.618 -5.439 1.00 0.00 O ATOM 1226 CB GLN A 460 -11.035 3.364 -6.921 1.00 0.00 C ATOM 1227 CG GLN A 460 -11.250 4.865 -6.815 1.00 0.00 C ATOM 1228 CD GLN A 460 -10.694 5.619 -8.008 1.00 0.00 C ATOM 1229 OE1 GLN A 460 -10.332 5.021 -9.021 1.00 0.00 O ATOM 1230 NE2 GLN A 460 -10.624 6.941 -7.894 1.00 0.00 N ATOM 0 H GLN A 460 -9.316 3.652 -5.146 1.00 0.00 H new ATOM 0 HA GLN A 460 -11.937 3.041 -4.998 1.00 0.00 H new ATOM 0 HB2 GLN A 460 -10.063 3.176 -7.377 1.00 0.00 H new ATOM 0 HB3 GLN A 460 -11.787 2.944 -7.589 1.00 0.00 H new ATOM 0 HG2 GLN A 460 -12.317 5.070 -6.725 1.00 0.00 H new ATOM 0 HG3 GLN A 460 -10.777 5.233 -5.905 1.00 0.00 H new ATOM 0 HE21 GLN A 460 -10.935 7.396 -7.036 1.00 0.00 H new ATOM 0 HE22 GLN A 460 -10.259 7.501 -8.665 1.00 0.00 H new ATOM 1239 N SER A 461 -10.354 0.482 -6.387 1.00 0.00 N ATOM 1240 CA SER A 461 -10.456 -0.947 -6.660 1.00 0.00 C ATOM 1241 C SER A 461 -9.944 -1.764 -5.477 1.00 0.00 C ATOM 1242 O SER A 461 -10.659 -2.608 -4.937 1.00 0.00 O ATOM 1243 CB SER A 461 -9.666 -1.304 -7.920 1.00 0.00 C ATOM 1244 OG SER A 461 -10.478 -1.199 -9.078 1.00 0.00 O ATOM 0 H SER A 461 -9.476 0.907 -6.686 1.00 0.00 H new ATOM 0 HA SER A 461 -11.507 -1.188 -6.818 1.00 0.00 H new ATOM 0 HB2 SER A 461 -8.806 -0.641 -8.014 1.00 0.00 H new ATOM 0 HB3 SER A 461 -9.278 -2.319 -7.835 1.00 0.00 H new ATOM 0 HG SER A 461 -9.950 -1.431 -9.870 1.00 0.00 H new ATOM 1250 N MET A 462 -8.702 -1.506 -5.082 1.00 0.00 N ATOM 1251 CA MET A 462 -8.094 -2.217 -3.962 1.00 0.00 C ATOM 1252 C MET A 462 -9.095 -2.398 -2.826 1.00 0.00 C ATOM 1253 O MET A 462 -9.458 -3.521 -2.479 1.00 0.00 O ATOM 1254 CB MET A 462 -6.864 -1.460 -3.458 1.00 0.00 C ATOM 1255 CG MET A 462 -5.736 -1.388 -4.474 1.00 0.00 C ATOM 1256 SD MET A 462 -4.592 -2.775 -4.342 1.00 0.00 S ATOM 1257 CE MET A 462 -5.362 -3.956 -5.446 1.00 0.00 C ATOM 0 H MET A 462 -8.097 -0.811 -5.520 1.00 0.00 H new ATOM 0 HA MET A 462 -7.787 -3.202 -4.312 1.00 0.00 H new ATOM 0 HB2 MET A 462 -7.159 -0.447 -3.182 1.00 0.00 H new ATOM 0 HB3 MET A 462 -6.496 -1.943 -2.553 1.00 0.00 H new ATOM 0 HG2 MET A 462 -6.158 -1.365 -5.479 1.00 0.00 H new ATOM 0 HG3 MET A 462 -5.188 -0.456 -4.337 1.00 0.00 H new ATOM 0 HE1 MET A 462 -4.591 -4.545 -5.944 1.00 0.00 H new ATOM 0 HE2 MET A 462 -6.012 -4.618 -4.874 1.00 0.00 H new ATOM 0 HE3 MET A 462 -5.952 -3.425 -6.193 1.00 0.00 H new ATOM 1267 N ASN A 463 -9.538 -1.285 -2.249 1.00 0.00 N ATOM 1268 CA ASN A 463 -10.496 -1.322 -1.151 1.00 0.00 C ATOM 1269 C ASN A 463 -11.495 -2.461 -1.339 1.00 0.00 C ATOM 1270 O ASN A 463 -12.334 -2.423 -2.237 1.00 0.00 O ATOM 1271 CB ASN A 463 -11.240 0.011 -1.049 1.00 0.00 C ATOM 1272 CG ASN A 463 -11.938 0.184 0.286 1.00 0.00 C ATOM 1273 OD1 ASN A 463 -12.304 -0.794 0.938 1.00 0.00 O ATOM 1274 ND2 ASN A 463 -12.125 1.432 0.698 1.00 0.00 N ATOM 0 H ASN A 463 -9.248 -0.347 -2.524 1.00 0.00 H new ATOM 0 HA ASN A 463 -9.944 -1.494 -0.227 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -10.535 0.829 -1.196 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -11.975 0.076 -1.851 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -12.589 1.611 1.589 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -11.805 2.212 0.124 1.00 0.00 H new ATOM 1281 N GLY A 464 -11.397 -3.473 -0.482 1.00 0.00 N ATOM 1282 CA GLY A 464 -12.298 -4.608 -0.570 1.00 0.00 C ATOM 1283 C GLY A 464 -12.068 -5.436 -1.819 1.00 0.00 C ATOM 1284 O GLY A 464 -13.017 -5.920 -2.436 1.00 0.00 O ATOM 0 H GLY A 464 -10.711 -3.527 0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 464 -12.169 -5.239 0.309 1.00 0.00 H new ATOM 0 HA3 GLY A 464 -13.328 -4.252 -0.559 1.00 0.00 H new ATOM 1288 N PHE A 465 -10.804 -5.597 -2.196 1.00 0.00 N ATOM 1289 CA PHE A 465 -10.452 -6.370 -3.380 1.00 0.00 C ATOM 1290 C PHE A 465 -10.508 -7.866 -3.090 1.00 0.00 C ATOM 1291 O PHE A 465 -9.744 -8.379 -2.273 1.00 0.00 O ATOM 1292 CB PHE A 465 -9.053 -5.985 -3.869 1.00 0.00 C ATOM 1293 CG PHE A 465 -8.486 -6.944 -4.876 1.00 0.00 C ATOM 1294 CD1 PHE A 465 -7.769 -8.056 -4.465 1.00 0.00 C ATOM 1295 CD2 PHE A 465 -8.668 -6.733 -6.233 1.00 0.00 C ATOM 1296 CE1 PHE A 465 -7.245 -8.941 -5.388 1.00 0.00 C ATOM 1297 CE2 PHE A 465 -8.147 -7.615 -7.161 1.00 0.00 C ATOM 1298 CZ PHE A 465 -7.433 -8.719 -6.738 1.00 0.00 C ATOM 0 H PHE A 465 -10.006 -5.202 -1.698 1.00 0.00 H new ATOM 0 HA PHE A 465 -11.178 -6.143 -4.161 1.00 0.00 H new ATOM 0 HB2 PHE A 465 -9.092 -4.989 -4.310 1.00 0.00 H new ATOM 0 HB3 PHE A 465 -8.380 -5.929 -3.013 1.00 0.00 H new ATOM 0 HD1 PHE A 465 -7.618 -8.233 -3.410 1.00 0.00 H new ATOM 0 HD2 PHE A 465 -9.223 -5.870 -6.570 1.00 0.00 H new ATOM 0 HE1 PHE A 465 -6.689 -9.805 -5.054 1.00 0.00 H new ATOM 0 HE2 PHE A 465 -8.298 -7.441 -8.216 1.00 0.00 H new ATOM 0 HZ PHE A 465 -7.022 -9.407 -7.462 1.00 0.00 H new ATOM 1308 N GLN A 466 -11.417 -8.560 -3.767 1.00 0.00 N ATOM 1309 CA GLN A 466 -11.574 -9.998 -3.581 1.00 0.00 C ATOM 1310 C GLN A 466 -10.309 -10.741 -3.997 1.00 0.00 C ATOM 1311 O GLN A 466 -10.038 -10.907 -5.187 1.00 0.00 O ATOM 1312 CB GLN A 466 -12.769 -10.511 -4.386 1.00 0.00 C ATOM 1313 CG GLN A 466 -13.133 -11.955 -4.082 1.00 0.00 C ATOM 1314 CD GLN A 466 -14.128 -12.080 -2.945 1.00 0.00 C ATOM 1315 OE1 GLN A 466 -14.782 -11.107 -2.567 1.00 0.00 O ATOM 1316 NE2 GLN A 466 -14.249 -13.282 -2.393 1.00 0.00 N ATOM 0 H GLN A 466 -12.056 -8.150 -4.449 1.00 0.00 H new ATOM 0 HA GLN A 466 -11.752 -10.185 -2.522 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -13.632 -9.877 -4.183 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -12.547 -10.417 -5.449 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -13.550 -12.416 -4.977 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -12.228 -12.508 -3.830 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -13.687 -14.060 -2.738 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -14.904 -13.427 -1.624 1.00 0.00 H new ATOM 1325 N ILE A 467 -9.540 -11.188 -3.010 1.00 0.00 N ATOM 1326 CA ILE A 467 -8.304 -11.915 -3.276 1.00 0.00 C ATOM 1327 C ILE A 467 -8.380 -13.341 -2.743 1.00 0.00 C ATOM 1328 O ILE A 467 -8.539 -13.558 -1.542 1.00 0.00 O ATOM 1329 CB ILE A 467 -7.089 -11.207 -2.646 1.00 0.00 C ATOM 1330 CG1 ILE A 467 -5.789 -11.863 -3.117 1.00 0.00 C ATOM 1331 CG2 ILE A 467 -7.185 -11.240 -1.129 1.00 0.00 C ATOM 1332 CD1 ILE A 467 -4.546 -11.102 -2.710 1.00 0.00 C ATOM 0 H ILE A 467 -9.750 -11.060 -2.020 1.00 0.00 H new ATOM 0 HA ILE A 467 -8.179 -11.941 -4.358 1.00 0.00 H new ATOM 0 HB ILE A 467 -7.086 -10.166 -2.968 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -5.735 -12.874 -2.713 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -5.810 -11.954 -4.203 1.00 0.00 H new ATOM 0 HG21 ILE A 467 -6.320 -10.736 -0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 467 -8.096 -10.733 -0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 467 -7.209 -12.275 -0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -3.663 -11.625 -3.077 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -4.578 -10.099 -3.136 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -4.501 -11.033 -1.623 1.00 0.00 H new ATOM 1344 N GLY A 468 -8.263 -14.311 -3.644 1.00 0.00 N ATOM 1345 CA GLY A 468 -8.319 -15.706 -3.245 1.00 0.00 C ATOM 1346 C GLY A 468 -9.669 -16.091 -2.675 1.00 0.00 C ATOM 1347 O GLY A 468 -10.645 -16.227 -3.412 1.00 0.00 O ATOM 0 H GLY A 468 -8.130 -14.156 -4.643 1.00 0.00 H new ATOM 0 HA2 GLY A 468 -8.098 -16.336 -4.106 1.00 0.00 H new ATOM 0 HA3 GLY A 468 -7.545 -15.900 -2.502 1.00 0.00 H new ATOM 1351 N MET A 469 -9.725 -16.270 -1.359 1.00 0.00 N ATOM 1352 CA MET A 469 -10.966 -16.644 -0.692 1.00 0.00 C ATOM 1353 C MET A 469 -11.457 -15.518 0.213 1.00 0.00 C ATOM 1354 O MET A 469 -12.588 -15.545 0.698 1.00 0.00 O ATOM 1355 CB MET A 469 -10.766 -17.921 0.126 1.00 0.00 C ATOM 1356 CG MET A 469 -12.047 -18.710 0.345 1.00 0.00 C ATOM 1357 SD MET A 469 -12.963 -18.160 1.797 1.00 0.00 S ATOM 1358 CE MET A 469 -14.464 -19.126 1.636 1.00 0.00 C ATOM 0 H MET A 469 -8.926 -16.162 -0.734 1.00 0.00 H new ATOM 0 HA MET A 469 -11.720 -16.826 -1.458 1.00 0.00 H new ATOM 0 HB2 MET A 469 -10.040 -18.557 -0.380 1.00 0.00 H new ATOM 0 HB3 MET A 469 -10.340 -17.659 1.095 1.00 0.00 H new ATOM 0 HG2 MET A 469 -12.681 -18.617 -0.536 1.00 0.00 H new ATOM 0 HG3 MET A 469 -11.804 -19.767 0.453 1.00 0.00 H new ATOM 0 HE1 MET A 469 -15.135 -18.896 2.464 1.00 0.00 H new ATOM 0 HE2 MET A 469 -14.954 -18.882 0.693 1.00 0.00 H new ATOM 0 HE3 MET A 469 -14.217 -20.188 1.653 1.00 0.00 H new ATOM 1368 N LYS A 470 -10.599 -14.528 0.436 1.00 0.00 N ATOM 1369 CA LYS A 470 -10.945 -13.391 1.282 1.00 0.00 C ATOM 1370 C LYS A 470 -10.803 -12.080 0.515 1.00 0.00 C ATOM 1371 O LYS A 470 -10.411 -12.072 -0.652 1.00 0.00 O ATOM 1372 CB LYS A 470 -10.055 -13.366 2.526 1.00 0.00 C ATOM 1373 CG LYS A 470 -8.570 -13.434 2.213 1.00 0.00 C ATOM 1374 CD LYS A 470 -7.975 -12.048 2.027 1.00 0.00 C ATOM 1375 CE LYS A 470 -6.462 -12.105 1.883 1.00 0.00 C ATOM 1376 NZ LYS A 470 -5.807 -12.622 3.117 1.00 0.00 N ATOM 0 H LYS A 470 -9.659 -14.490 0.043 1.00 0.00 H new ATOM 0 HA LYS A 470 -11.985 -13.501 1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 470 -10.258 -12.455 3.089 1.00 0.00 H new ATOM 0 HB3 LYS A 470 -10.321 -14.205 3.170 1.00 0.00 H new ATOM 0 HG2 LYS A 470 -8.050 -13.949 3.021 1.00 0.00 H new ATOM 0 HG3 LYS A 470 -8.414 -14.022 1.309 1.00 0.00 H new ATOM 0 HD2 LYS A 470 -8.408 -11.581 1.143 1.00 0.00 H new ATOM 0 HD3 LYS A 470 -8.237 -11.421 2.879 1.00 0.00 H new ATOM 0 HE2 LYS A 470 -6.201 -12.743 1.039 1.00 0.00 H new ATOM 0 HE3 LYS A 470 -6.081 -11.109 1.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 470 -5.061 -11.962 3.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 470 -6.514 -12.711 3.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 470 -5.388 -13.554 2.923 1.00 0.00 H new ATOM 1390 N ARG A 471 -11.125 -10.974 1.179 1.00 0.00 N ATOM 1391 CA ARG A 471 -11.032 -9.658 0.559 1.00 0.00 C ATOM 1392 C ARG A 471 -9.892 -8.848 1.169 1.00 0.00 C ATOM 1393 O ARG A 471 -9.308 -9.243 2.179 1.00 0.00 O ATOM 1394 CB ARG A 471 -12.353 -8.901 0.721 1.00 0.00 C ATOM 1395 CG ARG A 471 -13.397 -9.271 -0.320 1.00 0.00 C ATOM 1396 CD ARG A 471 -14.736 -8.613 -0.024 1.00 0.00 C ATOM 1397 NE ARG A 471 -15.676 -8.763 -1.132 1.00 0.00 N ATOM 1398 CZ ARG A 471 -16.854 -8.149 -1.184 1.00 0.00 C ATOM 1399 NH1 ARG A 471 -17.231 -7.346 -0.199 1.00 0.00 N ATOM 1400 NH2 ARG A 471 -17.655 -8.338 -2.225 1.00 0.00 N ATOM 0 H ARG A 471 -11.452 -10.964 2.145 1.00 0.00 H new ATOM 0 HA ARG A 471 -10.827 -9.798 -0.502 1.00 0.00 H new ATOM 0 HB2 ARG A 471 -12.756 -9.099 1.714 1.00 0.00 H new ATOM 0 HB3 ARG A 471 -12.158 -7.830 0.664 1.00 0.00 H new ATOM 0 HG2 ARG A 471 -13.051 -8.967 -1.308 1.00 0.00 H new ATOM 0 HG3 ARG A 471 -13.520 -10.354 -0.345 1.00 0.00 H new ATOM 0 HD2 ARG A 471 -15.164 -9.052 0.877 1.00 0.00 H new ATOM 0 HD3 ARG A 471 -14.582 -7.553 0.180 1.00 0.00 H new ATOM 0 HE ARG A 471 -15.414 -9.372 -1.908 1.00 0.00 H new ATOM 0 HH11 ARG A 471 -16.617 -7.198 0.602 1.00 0.00 H new ATOM 0 HH12 ARG A 471 -18.135 -6.876 -0.242 1.00 0.00 H new ATOM 0 HH21 ARG A 471 -17.367 -8.954 -2.985 1.00 0.00 H new ATOM 0 HH22 ARG A 471 -18.559 -7.867 -2.265 1.00 0.00 H new ATOM 1414 N LEU A 472 -9.582 -7.714 0.552 1.00 0.00 N ATOM 1415 CA LEU A 472 -8.511 -6.848 1.032 1.00 0.00 C ATOM 1416 C LEU A 472 -9.068 -5.515 1.522 1.00 0.00 C ATOM 1417 O LEU A 472 -10.089 -5.037 1.028 1.00 0.00 O ATOM 1418 CB LEU A 472 -7.484 -6.609 -0.075 1.00 0.00 C ATOM 1419 CG LEU A 472 -6.580 -7.794 -0.419 1.00 0.00 C ATOM 1420 CD1 LEU A 472 -5.653 -7.441 -1.571 1.00 0.00 C ATOM 1421 CD2 LEU A 472 -5.778 -8.224 0.801 1.00 0.00 C ATOM 0 H LEU A 472 -10.058 -7.372 -0.283 1.00 0.00 H new ATOM 0 HA LEU A 472 -8.022 -7.347 1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 472 -8.016 -6.309 -0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 472 -6.853 -5.769 0.217 1.00 0.00 H new ATOM 0 HG LEU A 472 -7.209 -8.629 -0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 472 -5.017 -8.296 -1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 472 -6.245 -7.182 -2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 472 -5.030 -6.592 -1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 472 -5.140 -9.068 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 472 -5.159 -7.394 1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 472 -6.459 -8.519 1.599 1.00 0.00 H new ATOM 1433 N LYS A 473 -8.388 -4.917 2.494 1.00 0.00 N ATOM 1434 CA LYS A 473 -8.811 -3.637 3.050 1.00 0.00 C ATOM 1435 C LYS A 473 -7.687 -2.609 2.963 1.00 0.00 C ATOM 1436 O LYS A 473 -6.702 -2.689 3.697 1.00 0.00 O ATOM 1437 CB LYS A 473 -9.249 -3.808 4.506 1.00 0.00 C ATOM 1438 CG LYS A 473 -9.552 -2.497 5.208 1.00 0.00 C ATOM 1439 CD LYS A 473 -10.370 -2.716 6.470 1.00 0.00 C ATOM 1440 CE LYS A 473 -9.484 -3.098 7.648 1.00 0.00 C ATOM 1441 NZ LYS A 473 -10.275 -3.665 8.775 1.00 0.00 N ATOM 0 H LYS A 473 -7.540 -5.299 2.914 1.00 0.00 H new ATOM 0 HA LYS A 473 -9.656 -3.277 2.464 1.00 0.00 H new ATOM 0 HB2 LYS A 473 -10.136 -4.441 4.538 1.00 0.00 H new ATOM 0 HB3 LYS A 473 -8.465 -4.331 5.053 1.00 0.00 H new ATOM 0 HG2 LYS A 473 -8.618 -1.995 5.461 1.00 0.00 H new ATOM 0 HG3 LYS A 473 -10.095 -1.838 4.531 1.00 0.00 H new ATOM 0 HD2 LYS A 473 -10.923 -1.808 6.709 1.00 0.00 H new ATOM 0 HD3 LYS A 473 -11.106 -3.501 6.297 1.00 0.00 H new ATOM 0 HE2 LYS A 473 -8.741 -3.827 7.323 1.00 0.00 H new ATOM 0 HE3 LYS A 473 -8.939 -2.219 7.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 -9.636 -3.913 9.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 -10.967 -2.961 9.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 -10.775 -4.518 8.453 1.00 0.00 H new ATOM 1455 N VAL A 474 -7.844 -1.642 2.065 1.00 0.00 N ATOM 1456 CA VAL A 474 -6.844 -0.597 1.885 1.00 0.00 C ATOM 1457 C VAL A 474 -7.430 0.781 2.174 1.00 0.00 C ATOM 1458 O VAL A 474 -8.549 1.088 1.763 1.00 0.00 O ATOM 1459 CB VAL A 474 -6.270 -0.608 0.455 1.00 0.00 C ATOM 1460 CG1 VAL A 474 -5.128 0.390 0.330 1.00 0.00 C ATOM 1461 CG2 VAL A 474 -5.809 -2.007 0.078 1.00 0.00 C ATOM 0 H VAL A 474 -8.654 -1.561 1.451 1.00 0.00 H new ATOM 0 HA VAL A 474 -6.041 -0.804 2.593 1.00 0.00 H new ATOM 0 HB VAL A 474 -7.058 -0.310 -0.237 1.00 0.00 H new ATOM 0 HG11 VAL A 474 -4.735 0.368 -0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 474 -5.494 1.392 0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 474 -4.336 0.126 1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 474 -5.406 -1.997 -0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 474 -5.036 -2.335 0.773 1.00 0.00 H new ATOM 0 HG23 VAL A 474 -6.654 -2.694 0.126 1.00 0.00 H new ATOM 1471 N GLN A 475 -6.667 1.605 2.884 1.00 0.00 N ATOM 1472 CA GLN A 475 -7.112 2.951 3.228 1.00 0.00 C ATOM 1473 C GLN A 475 -5.923 3.859 3.520 1.00 0.00 C ATOM 1474 O GLN A 475 -4.908 3.417 4.060 1.00 0.00 O ATOM 1475 CB GLN A 475 -8.046 2.908 4.439 1.00 0.00 C ATOM 1476 CG GLN A 475 -8.799 4.208 4.674 1.00 0.00 C ATOM 1477 CD GLN A 475 -9.876 4.453 3.636 1.00 0.00 C ATOM 1478 OE1 GLN A 475 -10.888 3.752 3.597 1.00 0.00 O ATOM 1479 NE2 GLN A 475 -9.667 5.453 2.788 1.00 0.00 N ATOM 0 H GLN A 475 -5.739 1.365 3.232 1.00 0.00 H new ATOM 0 HA GLN A 475 -7.654 3.357 2.374 1.00 0.00 H new ATOM 0 HB2 GLN A 475 -8.766 2.101 4.304 1.00 0.00 H new ATOM 0 HB3 GLN A 475 -7.463 2.670 5.329 1.00 0.00 H new ATOM 0 HG2 GLN A 475 -9.253 4.187 5.665 1.00 0.00 H new ATOM 0 HG3 GLN A 475 -8.094 5.039 4.664 1.00 0.00 H new ATOM 0 HE21 GLN A 475 -8.815 6.009 2.855 1.00 0.00 H new ATOM 0 HE22 GLN A 475 -10.359 5.665 2.069 1.00 0.00 H new ATOM 1488 N LEU A 476 -6.055 5.132 3.161 1.00 0.00 N ATOM 1489 CA LEU A 476 -4.990 6.104 3.385 1.00 0.00 C ATOM 1490 C LEU A 476 -5.082 6.699 4.786 1.00 0.00 C ATOM 1491 O LEU A 476 -6.129 7.203 5.191 1.00 0.00 O ATOM 1492 CB LEU A 476 -5.062 7.218 2.339 1.00 0.00 C ATOM 1493 CG LEU A 476 -6.097 8.314 2.597 1.00 0.00 C ATOM 1494 CD1 LEU A 476 -5.584 9.299 3.636 1.00 0.00 C ATOM 1495 CD2 LEU A 476 -6.445 9.034 1.302 1.00 0.00 C ATOM 0 H LEU A 476 -6.888 5.515 2.714 1.00 0.00 H new ATOM 0 HA LEU A 476 -4.034 5.588 3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 476 -4.079 7.684 2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 476 -5.274 6.766 1.370 1.00 0.00 H new ATOM 0 HG LEU A 476 -7.003 7.848 2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 476 -6.334 10.072 3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 476 -5.386 8.773 4.570 1.00 0.00 H new ATOM 0 HD13 LEU A 476 -4.664 9.760 3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 476 -7.183 9.810 1.504 1.00 0.00 H new ATOM 0 HD22 LEU A 476 -5.546 9.488 0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 476 -6.856 8.320 0.588 1.00 0.00 H new ATOM 1507 N LYS A 477 -3.976 6.640 5.522 1.00 0.00 N ATOM 1508 CA LYS A 477 -3.930 7.175 6.878 1.00 0.00 C ATOM 1509 C LYS A 477 -4.820 8.408 7.006 1.00 0.00 C ATOM 1510 O LYS A 477 -5.883 8.355 7.625 1.00 0.00 O ATOM 1511 CB LYS A 477 -2.491 7.530 7.258 1.00 0.00 C ATOM 1512 CG LYS A 477 -2.332 7.960 8.706 1.00 0.00 C ATOM 1513 CD LYS A 477 -0.907 7.765 9.193 1.00 0.00 C ATOM 1514 CE LYS A 477 -0.056 8.999 8.935 1.00 0.00 C ATOM 1515 NZ LYS A 477 1.218 8.966 9.704 1.00 0.00 N ATOM 0 H LYS A 477 -3.100 6.227 5.202 1.00 0.00 H new ATOM 0 HA LYS A 477 -4.301 6.408 7.558 1.00 0.00 H new ATOM 0 HB2 LYS A 477 -1.852 6.667 7.072 1.00 0.00 H new ATOM 0 HB3 LYS A 477 -2.140 8.332 6.609 1.00 0.00 H new ATOM 0 HG2 LYS A 477 -2.612 9.009 8.808 1.00 0.00 H new ATOM 0 HG3 LYS A 477 -3.014 7.386 9.334 1.00 0.00 H new ATOM 0 HD2 LYS A 477 -0.913 7.543 10.260 1.00 0.00 H new ATOM 0 HD3 LYS A 477 -0.464 6.905 8.691 1.00 0.00 H new ATOM 0 HE2 LYS A 477 0.165 9.071 7.870 1.00 0.00 H new ATOM 0 HE3 LYS A 477 -0.620 9.892 9.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 1.769 9.824 9.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 1.008 8.923 10.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 1.768 8.128 9.428 1.00 0.00 H new