USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=16 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 451 ASN : amide:sc= -1.07! C(o=-0.95!,f=-4.8!) USER MOD Set 1.2: A 454 SER OG : rot 111:sc= 0.121 USER MOD Set 2.1: A 419 GLN : amide:sc= -1 K(o=-1,f=-4.1) USER MOD Set 2.2: A 422 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 395 LYS NZ :NH3+ 139:sc= -0.0265 (180deg=-1.95!) USER MOD Single : A 402 ASN : amide:sc= -5.42! C(o=-5.4!,f=-9.2!) USER MOD Single : A 406 TYR OH : rot 180:sc= 0 USER MOD Single : A 407 HIS :FLIP no HD1:sc=-0.00678 F(o=-1.1,f=-0.0068) USER MOD Single : A 410 GLN : amide:sc= -1.44 K(o=-1.4,f=-2.9!) USER MOD Single : A 415 GLN :FLIP amide:sc= -0.0241 F(o=-0.64,f=-0.024) USER MOD Single : A 420 MET CE :methyl -141:sc= -0.368 (180deg=-3.56!) USER MOD Single : A 426 ASN : amide:sc= -0.0419 K(o=-0.042,f=-2.9!) USER MOD Single : A 429 SER OG : rot 76:sc= -1.86 USER MOD Single : A 431 LYS NZ :NH3+ -169:sc= 0.483 (180deg=0.415) USER MOD Single : A 443 CYS SG : rot 44:sc= 0.222 USER MOD Single : A 448 SER OG : rot 101:sc= 0.905 USER MOD Single : A 449 TYR OH : rot -121:sc= -0.446 USER MOD Single : A 456 GLN : amide:sc= -0.571 K(o=-0.57,f=-2.2) USER MOD Single : A 460 GLN : amide:sc=-0.00972 X(o=-0.0097,f=-0.14) USER MOD Single : A 461 SER OG : rot 180:sc= 0 USER MOD Single : A 462 MET CE :methyl -176:sc= 0 (180deg=-0.0343) USER MOD Single : A 463 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.59) USER MOD Single : A 466 GLN : amide:sc= -3.44! C(o=-3.4!,f=-4.5!) USER MOD Single : A 469 MET CE :methyl -136:sc= -0.375 (180deg=-1.65!) USER MOD Single : A 470 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.335) USER MOD Single : A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 475 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 477 LYS NZ :NH3+ -167:sc= -0.0133 (180deg=-0.159) USER MOD ----------------------------------------------------------------- ATOM 225 N LYS A 395 9.181 5.073 4.106 1.00 0.00 N ATOM 226 CA LYS A 395 8.994 6.468 3.722 1.00 0.00 C ATOM 227 C LYS A 395 7.572 6.709 3.227 1.00 0.00 C ATOM 228 O LYS A 395 6.774 5.778 3.124 1.00 0.00 O ATOM 229 CB LYS A 395 9.997 6.858 2.635 1.00 0.00 C ATOM 230 CG LYS A 395 9.937 5.969 1.405 1.00 0.00 C ATOM 231 CD LYS A 395 11.254 5.977 0.647 1.00 0.00 C ATOM 232 CE LYS A 395 11.454 7.280 -0.112 1.00 0.00 C ATOM 233 NZ LYS A 395 10.834 7.235 -1.465 1.00 0.00 N ATOM 0 HA LYS A 395 9.164 7.088 4.603 1.00 0.00 H new ATOM 0 HB2 LYS A 395 9.813 7.890 2.336 1.00 0.00 H new ATOM 0 HB3 LYS A 395 11.004 6.821 3.051 1.00 0.00 H new ATOM 0 HG2 LYS A 395 9.694 4.949 1.703 1.00 0.00 H new ATOM 0 HG3 LYS A 395 9.136 6.308 0.748 1.00 0.00 H new ATOM 0 HD2 LYS A 395 12.078 5.832 1.346 1.00 0.00 H new ATOM 0 HD3 LYS A 395 11.278 5.141 -0.052 1.00 0.00 H new ATOM 0 HE2 LYS A 395 11.022 8.102 0.458 1.00 0.00 H new ATOM 0 HE3 LYS A 395 12.520 7.484 -0.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 10.368 8.143 -1.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 11.570 7.060 -2.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 10.130 6.470 -1.499 1.00 0.00 H new ATOM 247 N GLU A 396 7.261 7.966 2.921 1.00 0.00 N ATOM 248 CA GLU A 396 5.935 8.328 2.437 1.00 0.00 C ATOM 249 C GLU A 396 6.012 9.506 1.469 1.00 0.00 C ATOM 250 O GLU A 396 7.090 10.032 1.201 1.00 0.00 O ATOM 251 CB GLU A 396 5.016 8.677 3.611 1.00 0.00 C ATOM 252 CG GLU A 396 5.616 9.691 4.571 1.00 0.00 C ATOM 253 CD GLU A 396 4.770 9.884 5.815 1.00 0.00 C ATOM 254 OE1 GLU A 396 3.532 9.760 5.716 1.00 0.00 O ATOM 255 OE2 GLU A 396 5.347 10.163 6.887 1.00 0.00 O ATOM 0 H GLU A 396 7.910 8.749 3.000 1.00 0.00 H new ATOM 0 HA GLU A 396 5.523 7.470 1.906 1.00 0.00 H new ATOM 0 HB2 GLU A 396 4.076 9.069 3.222 1.00 0.00 H new ATOM 0 HB3 GLU A 396 4.779 7.766 4.160 1.00 0.00 H new ATOM 0 HG2 GLU A 396 6.615 9.365 4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 396 5.729 10.647 4.060 1.00 0.00 H new ATOM 262 N GLY A 397 4.858 9.911 0.946 1.00 0.00 N ATOM 263 CA GLY A 397 4.817 11.022 0.014 1.00 0.00 C ATOM 264 C GLY A 397 4.426 12.325 0.682 1.00 0.00 C ATOM 265 O GLY A 397 4.762 12.580 1.838 1.00 0.00 O ATOM 0 H GLY A 397 3.952 9.490 1.151 1.00 0.00 H new ATOM 0 HA2 GLY A 397 5.795 11.136 -0.454 1.00 0.00 H new ATOM 0 HA3 GLY A 397 4.107 10.798 -0.782 1.00 0.00 H new ATOM 269 N PRO A 398 3.701 13.178 -0.057 1.00 0.00 N ATOM 270 CA PRO A 398 3.250 14.478 0.450 1.00 0.00 C ATOM 271 C PRO A 398 2.101 14.345 1.444 1.00 0.00 C ATOM 272 O PRO A 398 1.356 13.366 1.418 1.00 0.00 O ATOM 273 CB PRO A 398 2.784 15.209 -0.811 1.00 0.00 C ATOM 274 CG PRO A 398 2.375 14.124 -1.747 1.00 0.00 C ATOM 275 CD PRO A 398 3.264 12.940 -1.442 1.00 0.00 C ATOM 0 HA PRO A 398 4.038 14.999 0.994 1.00 0.00 H new ATOM 0 HB2 PRO A 398 1.953 15.880 -0.595 1.00 0.00 H new ATOM 0 HB3 PRO A 398 3.583 15.817 -1.235 1.00 0.00 H new ATOM 0 HG2 PRO A 398 1.325 13.867 -1.609 1.00 0.00 H new ATOM 0 HG3 PRO A 398 2.492 14.441 -2.783 1.00 0.00 H new ATOM 0 HD2 PRO A 398 2.722 11.999 -1.535 1.00 0.00 H new ATOM 0 HD3 PRO A 398 4.111 12.889 -2.126 1.00 0.00 H new ATOM 283 N GLU A 399 1.964 15.337 2.320 1.00 0.00 N ATOM 284 CA GLU A 399 0.905 15.328 3.323 1.00 0.00 C ATOM 285 C GLU A 399 -0.464 15.167 2.667 1.00 0.00 C ATOM 286 O GLU A 399 -0.884 16.003 1.868 1.00 0.00 O ATOM 287 CB GLU A 399 0.940 16.618 4.144 1.00 0.00 C ATOM 288 CG GLU A 399 -0.208 16.742 5.132 1.00 0.00 C ATOM 289 CD GLU A 399 -0.369 18.154 5.664 1.00 0.00 C ATOM 290 OE1 GLU A 399 -0.228 19.107 4.870 1.00 0.00 O ATOM 291 OE2 GLU A 399 -0.636 18.304 6.875 1.00 0.00 O ATOM 0 H GLU A 399 2.572 16.155 2.355 1.00 0.00 H new ATOM 0 HA GLU A 399 1.074 14.479 3.985 1.00 0.00 H new ATOM 0 HB2 GLU A 399 1.883 16.667 4.688 1.00 0.00 H new ATOM 0 HB3 GLU A 399 0.918 17.471 3.466 1.00 0.00 H new ATOM 0 HG2 GLU A 399 -1.134 16.432 4.648 1.00 0.00 H new ATOM 0 HG3 GLU A 399 -0.040 16.060 5.966 1.00 0.00 H new ATOM 298 N GLY A 400 -1.155 14.085 3.011 1.00 0.00 N ATOM 299 CA GLY A 400 -2.468 13.832 2.447 1.00 0.00 C ATOM 300 C GLY A 400 -2.531 12.522 1.687 1.00 0.00 C ATOM 301 O GLY A 400 -3.592 11.909 1.580 1.00 0.00 O ATOM 0 H GLY A 400 -0.829 13.379 3.671 1.00 0.00 H new ATOM 0 HA2 GLY A 400 -3.208 13.820 3.248 1.00 0.00 H new ATOM 0 HA3 GLY A 400 -2.736 14.650 1.778 1.00 0.00 H new ATOM 305 N ALA A 401 -1.391 12.093 1.157 1.00 0.00 N ATOM 306 CA ALA A 401 -1.320 10.848 0.402 1.00 0.00 C ATOM 307 C ALA A 401 -0.813 9.705 1.276 1.00 0.00 C ATOM 308 O ALA A 401 0.238 9.813 1.906 1.00 0.00 O ATOM 309 CB ALA A 401 -0.426 11.019 -0.817 1.00 0.00 C ATOM 0 H ALA A 401 -0.503 12.589 1.236 1.00 0.00 H new ATOM 0 HA ALA A 401 -2.327 10.597 0.067 1.00 0.00 H new ATOM 0 HB1 ALA A 401 -0.383 10.081 -1.371 1.00 0.00 H new ATOM 0 HB2 ALA A 401 -0.832 11.801 -1.459 1.00 0.00 H new ATOM 0 HB3 ALA A 401 0.578 11.297 -0.496 1.00 0.00 H new ATOM 315 N ASN A 402 -1.568 8.612 1.309 1.00 0.00 N ATOM 316 CA ASN A 402 -1.195 7.449 2.106 1.00 0.00 C ATOM 317 C ASN A 402 -1.892 6.192 1.596 1.00 0.00 C ATOM 318 O ASN A 402 -2.848 6.269 0.822 1.00 0.00 O ATOM 319 CB ASN A 402 -1.549 7.680 3.578 1.00 0.00 C ATOM 320 CG ASN A 402 -1.495 9.145 3.962 1.00 0.00 C ATOM 321 OD1 ASN A 402 -2.514 9.836 3.963 1.00 0.00 O ATOM 322 ND2 ASN A 402 -0.302 9.627 4.292 1.00 0.00 N ATOM 0 H ASN A 402 -2.442 8.507 0.793 1.00 0.00 H new ATOM 0 HA ASN A 402 -0.118 7.307 2.014 1.00 0.00 H new ATOM 0 HB2 ASN A 402 -2.549 7.293 3.774 1.00 0.00 H new ATOM 0 HB3 ASN A 402 -0.860 7.117 4.207 1.00 0.00 H new ATOM 0 HD21 ASN A 402 -0.204 10.606 4.560 1.00 0.00 H new ATOM 0 HD22 ASN A 402 0.516 9.018 4.277 1.00 0.00 H new ATOM 329 N LEU A 403 -1.407 5.035 2.031 1.00 0.00 N ATOM 330 CA LEU A 403 -1.984 3.759 1.619 1.00 0.00 C ATOM 331 C LEU A 403 -1.617 2.652 2.602 1.00 0.00 C ATOM 332 O LEU A 403 -0.439 2.383 2.839 1.00 0.00 O ATOM 333 CB LEU A 403 -1.502 3.391 0.214 1.00 0.00 C ATOM 334 CG LEU A 403 -2.215 4.088 -0.944 1.00 0.00 C ATOM 335 CD1 LEU A 403 -1.769 3.502 -2.275 1.00 0.00 C ATOM 336 CD2 LEU A 403 -3.724 3.973 -0.789 1.00 0.00 C ATOM 0 H LEU A 403 -0.615 4.953 2.669 1.00 0.00 H new ATOM 0 HA LEU A 403 -3.069 3.864 1.609 1.00 0.00 H new ATOM 0 HB2 LEU A 403 -0.437 3.615 0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 403 -1.610 2.314 0.085 1.00 0.00 H new ATOM 0 HG LEU A 403 -1.948 5.145 -0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 403 -2.287 4.010 -3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 403 -0.693 3.637 -2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 403 -2.007 2.439 -2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 403 -4.215 4.475 -1.623 1.00 0.00 H new ATOM 0 HD22 LEU A 403 -4.010 2.921 -0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 403 -4.030 4.440 0.147 1.00 0.00 H new ATOM 348 N PHE A 404 -2.634 2.012 3.171 1.00 0.00 N ATOM 349 CA PHE A 404 -2.418 0.933 4.127 1.00 0.00 C ATOM 350 C PHE A 404 -3.225 -0.304 3.743 1.00 0.00 C ATOM 351 O PHE A 404 -4.455 -0.301 3.811 1.00 0.00 O ATOM 352 CB PHE A 404 -2.802 1.389 5.537 1.00 0.00 C ATOM 353 CG PHE A 404 -1.763 2.253 6.191 1.00 0.00 C ATOM 354 CD1 PHE A 404 -1.554 3.554 5.762 1.00 0.00 C ATOM 355 CD2 PHE A 404 -0.993 1.764 7.235 1.00 0.00 C ATOM 356 CE1 PHE A 404 -0.598 4.351 6.362 1.00 0.00 C ATOM 357 CE2 PHE A 404 -0.036 2.558 7.839 1.00 0.00 C ATOM 358 CZ PHE A 404 0.161 3.853 7.403 1.00 0.00 C ATOM 0 H PHE A 404 -3.615 2.222 2.986 1.00 0.00 H new ATOM 0 HA PHE A 404 -1.359 0.673 4.111 1.00 0.00 H new ATOM 0 HB2 PHE A 404 -3.742 1.938 5.489 1.00 0.00 H new ATOM 0 HB3 PHE A 404 -2.977 0.511 6.159 1.00 0.00 H new ATOM 0 HD1 PHE A 404 -2.145 3.950 4.949 1.00 0.00 H new ATOM 0 HD2 PHE A 404 -1.142 0.752 7.580 1.00 0.00 H new ATOM 0 HE1 PHE A 404 -0.444 5.363 6.017 1.00 0.00 H new ATOM 0 HE2 PHE A 404 0.557 2.165 8.652 1.00 0.00 H new ATOM 0 HZ PHE A 404 0.907 4.475 7.875 1.00 0.00 H new ATOM 368 N ILE A 405 -2.524 -1.358 3.338 1.00 0.00 N ATOM 369 CA ILE A 405 -3.175 -2.601 2.944 1.00 0.00 C ATOM 370 C ILE A 405 -3.319 -3.547 4.131 1.00 0.00 C ATOM 371 O ILE A 405 -2.381 -3.733 4.906 1.00 0.00 O ATOM 372 CB ILE A 405 -2.395 -3.314 1.825 1.00 0.00 C ATOM 373 CG1 ILE A 405 -2.300 -2.418 0.587 1.00 0.00 C ATOM 374 CG2 ILE A 405 -3.058 -4.638 1.475 1.00 0.00 C ATOM 375 CD1 ILE A 405 -1.265 -1.322 0.713 1.00 0.00 C ATOM 0 H ILE A 405 -1.506 -1.376 3.274 1.00 0.00 H new ATOM 0 HA ILE A 405 -4.165 -2.335 2.573 1.00 0.00 H new ATOM 0 HB ILE A 405 -1.386 -3.518 2.182 1.00 0.00 H new ATOM 0 HG12 ILE A 405 -2.062 -3.034 -0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 405 -3.274 -1.967 0.399 1.00 0.00 H new ATOM 0 HG21 ILE A 405 -2.494 -5.129 0.682 1.00 0.00 H new ATOM 0 HG22 ILE A 405 -3.078 -5.279 2.356 1.00 0.00 H new ATOM 0 HG23 ILE A 405 -4.078 -4.456 1.135 1.00 0.00 H new ATOM 0 HD11 ILE A 405 -1.252 -0.727 -0.200 1.00 0.00 H new ATOM 0 HD12 ILE A 405 -1.514 -0.682 1.560 1.00 0.00 H new ATOM 0 HD13 ILE A 405 -0.282 -1.766 0.870 1.00 0.00 H new ATOM 387 N TYR A 406 -4.497 -4.145 4.265 1.00 0.00 N ATOM 388 CA TYR A 406 -4.763 -5.073 5.357 1.00 0.00 C ATOM 389 C TYR A 406 -5.265 -6.412 4.826 1.00 0.00 C ATOM 390 O TYR A 406 -5.690 -6.516 3.674 1.00 0.00 O ATOM 391 CB TYR A 406 -5.791 -4.477 6.321 1.00 0.00 C ATOM 392 CG TYR A 406 -5.294 -3.253 7.055 1.00 0.00 C ATOM 393 CD1 TYR A 406 -4.417 -3.370 8.127 1.00 0.00 C ATOM 394 CD2 TYR A 406 -5.700 -1.979 6.678 1.00 0.00 C ATOM 395 CE1 TYR A 406 -3.960 -2.254 8.802 1.00 0.00 C ATOM 396 CE2 TYR A 406 -5.247 -0.857 7.346 1.00 0.00 C ATOM 397 CZ TYR A 406 -4.378 -1.000 8.408 1.00 0.00 C ATOM 398 OH TYR A 406 -3.925 0.114 9.076 1.00 0.00 O ATOM 0 H TYR A 406 -5.283 -4.004 3.631 1.00 0.00 H new ATOM 0 HA TYR A 406 -3.828 -5.243 5.891 1.00 0.00 H new ATOM 0 HB2 TYR A 406 -6.691 -4.216 5.764 1.00 0.00 H new ATOM 0 HB3 TYR A 406 -6.076 -5.236 7.049 1.00 0.00 H new ATOM 0 HD1 TYR A 406 -4.087 -4.350 8.438 1.00 0.00 H new ATOM 0 HD2 TYR A 406 -6.382 -1.863 5.848 1.00 0.00 H new ATOM 0 HE1 TYR A 406 -3.279 -2.363 9.633 1.00 0.00 H new ATOM 0 HE2 TYR A 406 -5.571 0.126 7.038 1.00 0.00 H new ATOM 0 HH TYR A 406 -4.314 0.918 8.672 1.00 0.00 H new ATOM 408 N HIS A 407 -5.213 -7.434 5.673 1.00 0.00 N ATOM 409 CA HIS A 407 -5.664 -8.768 5.289 1.00 0.00 C ATOM 410 C HIS A 407 -4.838 -9.306 4.125 1.00 0.00 C ATOM 411 O HIS A 407 -5.385 -9.726 3.104 1.00 0.00 O ATOM 412 CB HIS A 407 -7.144 -8.739 4.910 1.00 0.00 C ATOM 413 CG HIS A 407 -8.021 -8.133 5.961 1.00 0.00 C ATOM 414 ND1 HIS A 407 -8.179 -6.845 6.348 1.00 0.00 N flip ATOM 415 CD2 HIS A 407 -8.869 -8.875 6.756 1.00 0.00 C flip ATOM 416 CE1 HIS A 407 -9.109 -6.833 7.358 1.00 0.00 C flip ATOM 417 NE2 HIS A 407 -9.509 -8.071 7.585 1.00 0.00 N flip ATOM 0 H HIS A 407 -4.864 -7.365 6.629 1.00 0.00 H new ATOM 0 HA HIS A 407 -5.529 -9.431 6.144 1.00 0.00 H new ATOM 0 HB2 HIS A 407 -7.262 -8.178 3.983 1.00 0.00 H new ATOM 0 HB3 HIS A 407 -7.479 -9.757 4.712 1.00 0.00 H new ATOM 0 HD2 HIS A 407 -8.991 -9.947 6.708 1.00 0.00 H new ATOM 0 HE1 HIS A 407 -9.457 -5.955 7.881 1.00 0.00 H new ATOM 0 HE2 HIS A 407 -10.196 -8.357 8.282 1.00 0.00 H new ATOM 425 N LEU A 408 -3.519 -9.293 4.285 1.00 0.00 N ATOM 426 CA LEU A 408 -2.618 -9.779 3.247 1.00 0.00 C ATOM 427 C LEU A 408 -2.293 -11.255 3.455 1.00 0.00 C ATOM 428 O LEU A 408 -1.895 -11.681 4.540 1.00 0.00 O ATOM 429 CB LEU A 408 -1.328 -8.957 3.239 1.00 0.00 C ATOM 430 CG LEU A 408 -1.445 -7.528 2.708 1.00 0.00 C ATOM 431 CD1 LEU A 408 -0.210 -6.719 3.075 1.00 0.00 C ATOM 432 CD2 LEU A 408 -1.653 -7.534 1.201 1.00 0.00 C ATOM 0 H LEU A 408 -3.050 -8.951 5.124 1.00 0.00 H new ATOM 0 HA LEU A 408 -3.118 -9.669 2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 408 -0.942 -8.914 4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 408 -0.587 -9.486 2.639 1.00 0.00 H new ATOM 0 HG LEU A 408 -2.312 -7.059 3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 408 -0.311 -5.705 2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 408 -0.106 -6.686 4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 408 0.674 -7.186 2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 408 -1.734 -6.508 0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 408 -0.806 -8.022 0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 408 -2.568 -8.076 0.962 1.00 0.00 H new ATOM 444 N PRO A 409 -2.464 -12.054 2.393 1.00 0.00 N ATOM 445 CA PRO A 409 -2.193 -13.494 2.434 1.00 0.00 C ATOM 446 C PRO A 409 -0.836 -13.811 3.055 1.00 0.00 C ATOM 447 O PRO A 409 -0.099 -12.908 3.449 1.00 0.00 O ATOM 448 CB PRO A 409 -2.213 -13.901 0.958 1.00 0.00 C ATOM 449 CG PRO A 409 -3.109 -12.907 0.304 1.00 0.00 C ATOM 450 CD PRO A 409 -2.936 -11.615 1.069 1.00 0.00 C ATOM 0 HA PRO A 409 -2.919 -14.028 3.048 1.00 0.00 H new ATOM 0 HB2 PRO A 409 -1.212 -13.876 0.527 1.00 0.00 H new ATOM 0 HB3 PRO A 409 -2.589 -14.916 0.832 1.00 0.00 H new ATOM 0 HG2 PRO A 409 -2.845 -12.776 -0.745 1.00 0.00 H new ATOM 0 HG3 PRO A 409 -4.146 -13.240 0.332 1.00 0.00 H new ATOM 0 HD2 PRO A 409 -2.215 -10.956 0.585 1.00 0.00 H new ATOM 0 HD3 PRO A 409 -3.873 -11.063 1.141 1.00 0.00 H new ATOM 458 N GLN A 410 -0.513 -15.097 3.136 1.00 0.00 N ATOM 459 CA GLN A 410 0.755 -15.532 3.709 1.00 0.00 C ATOM 460 C GLN A 410 1.875 -15.448 2.678 1.00 0.00 C ATOM 461 O GLN A 410 2.989 -15.029 2.992 1.00 0.00 O ATOM 462 CB GLN A 410 0.638 -16.963 4.236 1.00 0.00 C ATOM 463 CG GLN A 410 1.892 -17.459 4.937 1.00 0.00 C ATOM 464 CD GLN A 410 2.934 -17.979 3.967 1.00 0.00 C ATOM 465 OE1 GLN A 410 2.603 -18.492 2.897 1.00 0.00 O ATOM 466 NE2 GLN A 410 4.203 -17.852 4.337 1.00 0.00 N ATOM 0 H GLN A 410 -1.112 -15.856 2.812 1.00 0.00 H new ATOM 0 HA GLN A 410 0.997 -14.866 4.538 1.00 0.00 H new ATOM 0 HB2 GLN A 410 -0.201 -17.018 4.929 1.00 0.00 H new ATOM 0 HB3 GLN A 410 0.409 -17.630 3.405 1.00 0.00 H new ATOM 0 HG2 GLN A 410 2.321 -16.647 5.525 1.00 0.00 H new ATOM 0 HG3 GLN A 410 1.624 -18.251 5.636 1.00 0.00 H new ATOM 0 HE21 GLN A 410 4.432 -17.421 5.232 1.00 0.00 H new ATOM 0 HE22 GLN A 410 4.948 -18.186 3.726 1.00 0.00 H new ATOM 475 N GLU A 411 1.572 -15.849 1.447 1.00 0.00 N ATOM 476 CA GLU A 411 2.555 -15.820 0.371 1.00 0.00 C ATOM 477 C GLU A 411 2.953 -14.386 0.037 1.00 0.00 C ATOM 478 O GLU A 411 4.092 -14.119 -0.347 1.00 0.00 O ATOM 479 CB GLU A 411 1.999 -16.512 -0.876 1.00 0.00 C ATOM 480 CG GLU A 411 0.748 -15.850 -1.431 1.00 0.00 C ATOM 481 CD GLU A 411 -0.064 -16.783 -2.309 1.00 0.00 C ATOM 482 OE1 GLU A 411 0.462 -17.227 -3.350 1.00 0.00 O ATOM 483 OE2 GLU A 411 -1.226 -17.069 -1.952 1.00 0.00 O ATOM 0 H GLU A 411 0.654 -16.197 1.171 1.00 0.00 H new ATOM 0 HA GLU A 411 3.443 -16.355 0.709 1.00 0.00 H new ATOM 0 HB2 GLU A 411 2.768 -16.523 -1.649 1.00 0.00 H new ATOM 0 HB3 GLU A 411 1.774 -17.551 -0.635 1.00 0.00 H new ATOM 0 HG2 GLU A 411 0.128 -15.503 -0.605 1.00 0.00 H new ATOM 0 HG3 GLU A 411 1.032 -14.970 -2.008 1.00 0.00 H new ATOM 490 N PHE A 412 2.006 -13.466 0.185 1.00 0.00 N ATOM 491 CA PHE A 412 2.257 -12.058 -0.103 1.00 0.00 C ATOM 492 C PHE A 412 3.378 -11.514 0.777 1.00 0.00 C ATOM 493 O PHE A 412 3.454 -11.820 1.966 1.00 0.00 O ATOM 494 CB PHE A 412 0.982 -11.238 0.110 1.00 0.00 C ATOM 495 CG PHE A 412 0.141 -11.104 -1.127 1.00 0.00 C ATOM 496 CD1 PHE A 412 -0.440 -12.218 -1.708 1.00 0.00 C ATOM 497 CD2 PHE A 412 -0.068 -9.863 -1.707 1.00 0.00 C ATOM 498 CE1 PHE A 412 -1.216 -12.098 -2.847 1.00 0.00 C ATOM 499 CE2 PHE A 412 -0.842 -9.737 -2.844 1.00 0.00 C ATOM 500 CZ PHE A 412 -1.416 -10.856 -3.416 1.00 0.00 C ATOM 0 H PHE A 412 1.058 -13.669 0.502 1.00 0.00 H new ATOM 0 HA PHE A 412 2.565 -11.975 -1.145 1.00 0.00 H new ATOM 0 HB2 PHE A 412 0.387 -11.704 0.895 1.00 0.00 H new ATOM 0 HB3 PHE A 412 1.254 -10.244 0.464 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -0.286 -13.192 -1.267 1.00 0.00 H new ATOM 0 HD2 PHE A 412 0.379 -8.985 -1.265 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -1.665 -12.975 -3.290 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -0.998 -8.764 -3.286 1.00 0.00 H new ATOM 0 HZ PHE A 412 -2.020 -10.759 -4.306 1.00 0.00 H new ATOM 510 N GLY A 413 4.251 -10.706 0.181 1.00 0.00 N ATOM 511 CA GLY A 413 5.358 -10.133 0.924 1.00 0.00 C ATOM 512 C GLY A 413 5.576 -8.668 0.601 1.00 0.00 C ATOM 513 O GLY A 413 4.620 -7.902 0.482 1.00 0.00 O ATOM 0 H GLY A 413 4.211 -10.439 -0.803 1.00 0.00 H new ATOM 0 HA2 GLY A 413 5.170 -10.242 1.992 1.00 0.00 H new ATOM 0 HA3 GLY A 413 6.268 -10.690 0.702 1.00 0.00 H new ATOM 517 N ASP A 414 6.838 -8.277 0.461 1.00 0.00 N ATOM 518 CA ASP A 414 7.179 -6.893 0.150 1.00 0.00 C ATOM 519 C ASP A 414 7.031 -6.619 -1.343 1.00 0.00 C ATOM 520 O ASP A 414 6.235 -5.773 -1.751 1.00 0.00 O ATOM 521 CB ASP A 414 8.609 -6.586 0.599 1.00 0.00 C ATOM 522 CG ASP A 414 8.880 -7.040 2.019 1.00 0.00 C ATOM 523 OD1 ASP A 414 8.453 -6.338 2.959 1.00 0.00 O ATOM 524 OD2 ASP A 414 9.520 -8.099 2.191 1.00 0.00 O ATOM 0 H ASP A 414 7.641 -8.898 0.558 1.00 0.00 H new ATOM 0 HA ASP A 414 6.489 -6.244 0.689 1.00 0.00 H new ATOM 0 HB2 ASP A 414 9.311 -7.075 -0.076 1.00 0.00 H new ATOM 0 HB3 ASP A 414 8.788 -5.513 0.523 1.00 0.00 H new ATOM 529 N GLN A 415 7.803 -7.338 -2.151 1.00 0.00 N ATOM 530 CA GLN A 415 7.757 -7.170 -3.599 1.00 0.00 C ATOM 531 C GLN A 415 6.329 -7.294 -4.117 1.00 0.00 C ATOM 532 O GLN A 415 5.832 -6.410 -4.815 1.00 0.00 O ATOM 533 CB GLN A 415 8.652 -8.206 -4.281 1.00 0.00 C ATOM 534 CG GLN A 415 10.089 -7.746 -4.462 1.00 0.00 C ATOM 535 CD GLN A 415 10.308 -7.017 -5.773 1.00 0.00 C ATOM 536 OE1 GLN A 415 9.911 -5.752 -5.821 1.00 0.00 O flip ATOM 537 NE2 GLN A 415 10.831 -7.585 -6.732 1.00 0.00 N flip ATOM 0 H GLN A 415 8.467 -8.042 -1.828 1.00 0.00 H new ATOM 0 HA GLN A 415 8.123 -6.171 -3.836 1.00 0.00 H new ATOM 0 HB2 GLN A 415 8.645 -9.123 -3.692 1.00 0.00 H new ATOM 0 HB3 GLN A 415 8.232 -8.450 -5.257 1.00 0.00 H new ATOM 0 HG2 GLN A 415 10.363 -7.090 -3.636 1.00 0.00 H new ATOM 0 HG3 GLN A 415 10.752 -8.610 -4.416 1.00 0.00 H new ATOM 0 HE21 GLN A 415 11.121 -8.559 -6.651 1.00 0.00 H new ATOM 0 HE22 GLN A 415 10.974 -7.081 -7.607 1.00 0.00 H new ATOM 546 N ASP A 416 5.673 -8.397 -3.772 1.00 0.00 N ATOM 547 CA ASP A 416 4.300 -8.637 -4.201 1.00 0.00 C ATOM 548 C ASP A 416 3.470 -7.359 -4.106 1.00 0.00 C ATOM 549 O ASP A 416 2.818 -6.956 -5.070 1.00 0.00 O ATOM 550 CB ASP A 416 3.663 -9.738 -3.354 1.00 0.00 C ATOM 551 CG ASP A 416 4.401 -11.058 -3.470 1.00 0.00 C ATOM 552 OD1 ASP A 416 4.586 -11.535 -4.609 1.00 0.00 O ATOM 553 OD2 ASP A 416 4.791 -11.613 -2.422 1.00 0.00 O ATOM 0 H ASP A 416 6.070 -9.139 -3.196 1.00 0.00 H new ATOM 0 HA ASP A 416 4.322 -8.958 -5.242 1.00 0.00 H new ATOM 0 HB2 ASP A 416 3.646 -9.425 -2.310 1.00 0.00 H new ATOM 0 HB3 ASP A 416 2.627 -9.876 -3.662 1.00 0.00 H new ATOM 558 N LEU A 417 3.498 -6.728 -2.937 1.00 0.00 N ATOM 559 CA LEU A 417 2.747 -5.497 -2.714 1.00 0.00 C ATOM 560 C LEU A 417 3.114 -4.440 -3.752 1.00 0.00 C ATOM 561 O LEU A 417 2.245 -3.907 -4.444 1.00 0.00 O ATOM 562 CB LEU A 417 3.015 -4.962 -1.307 1.00 0.00 C ATOM 563 CG LEU A 417 2.102 -3.829 -0.836 1.00 0.00 C ATOM 564 CD1 LEU A 417 0.675 -4.329 -0.667 1.00 0.00 C ATOM 565 CD2 LEU A 417 2.618 -3.236 0.467 1.00 0.00 C ATOM 0 H LEU A 417 4.032 -7.048 -2.129 1.00 0.00 H new ATOM 0 HA LEU A 417 1.686 -5.724 -2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 417 2.928 -5.789 -0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 417 4.047 -4.613 -1.263 1.00 0.00 H new ATOM 0 HG LEU A 417 2.104 -3.047 -1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 417 0.040 -3.509 -0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 417 0.306 -4.707 -1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 417 0.655 -5.130 0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 417 1.956 -2.431 0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 417 2.645 -4.010 1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 417 3.622 -2.841 0.314 1.00 0.00 H new ATOM 577 N LEU A 418 4.404 -4.145 -3.855 1.00 0.00 N ATOM 578 CA LEU A 418 4.887 -3.153 -4.811 1.00 0.00 C ATOM 579 C LEU A 418 4.334 -3.426 -6.205 1.00 0.00 C ATOM 580 O LEU A 418 3.877 -2.513 -6.892 1.00 0.00 O ATOM 581 CB LEU A 418 6.416 -3.153 -4.847 1.00 0.00 C ATOM 582 CG LEU A 418 7.062 -2.263 -5.909 1.00 0.00 C ATOM 583 CD1 LEU A 418 6.759 -0.798 -5.635 1.00 0.00 C ATOM 584 CD2 LEU A 418 8.565 -2.499 -5.960 1.00 0.00 C ATOM 0 H LEU A 418 5.135 -4.577 -3.290 1.00 0.00 H new ATOM 0 HA LEU A 418 4.537 -2.173 -4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 418 6.783 -2.842 -3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 418 6.756 -4.177 -5.004 1.00 0.00 H new ATOM 0 HG LEU A 418 6.640 -2.524 -6.880 1.00 0.00 H new ATOM 0 HD11 LEU A 418 7.227 -0.180 -6.401 1.00 0.00 H new ATOM 0 HD12 LEU A 418 5.681 -0.640 -5.651 1.00 0.00 H new ATOM 0 HD13 LEU A 418 7.152 -0.522 -4.656 1.00 0.00 H new ATOM 0 HD21 LEU A 418 9.008 -1.857 -6.721 1.00 0.00 H new ATOM 0 HD22 LEU A 418 9.003 -2.266 -4.989 1.00 0.00 H new ATOM 0 HD23 LEU A 418 8.761 -3.543 -6.206 1.00 0.00 H new ATOM 596 N GLN A 419 4.378 -4.689 -6.617 1.00 0.00 N ATOM 597 CA GLN A 419 3.880 -5.083 -7.930 1.00 0.00 C ATOM 598 C GLN A 419 2.358 -5.168 -7.931 1.00 0.00 C ATOM 599 O GLN A 419 1.736 -5.326 -8.981 1.00 0.00 O ATOM 600 CB GLN A 419 4.479 -6.427 -8.344 1.00 0.00 C ATOM 601 CG GLN A 419 5.999 -6.446 -8.334 1.00 0.00 C ATOM 602 CD GLN A 419 6.602 -5.389 -9.238 1.00 0.00 C ATOM 603 OE1 GLN A 419 6.475 -4.191 -8.985 1.00 0.00 O ATOM 604 NE2 GLN A 419 7.262 -5.829 -10.304 1.00 0.00 N ATOM 0 H GLN A 419 4.753 -5.457 -6.061 1.00 0.00 H new ATOM 0 HA GLN A 419 4.183 -4.322 -8.649 1.00 0.00 H new ATOM 0 HB2 GLN A 419 4.110 -7.202 -7.672 1.00 0.00 H new ATOM 0 HB3 GLN A 419 4.128 -6.679 -9.345 1.00 0.00 H new ATOM 0 HG2 GLN A 419 6.354 -6.292 -7.315 1.00 0.00 H new ATOM 0 HG3 GLN A 419 6.348 -7.430 -8.648 1.00 0.00 H new ATOM 0 HE21 GLN A 419 7.343 -6.831 -10.476 1.00 0.00 H new ATOM 0 HE22 GLN A 419 7.688 -5.165 -10.950 1.00 0.00 H new ATOM 613 N MET A 420 1.763 -5.066 -6.747 1.00 0.00 N ATOM 614 CA MET A 420 0.312 -5.133 -6.611 1.00 0.00 C ATOM 615 C MET A 420 -0.312 -3.750 -6.775 1.00 0.00 C ATOM 616 O MET A 420 -1.465 -3.624 -7.188 1.00 0.00 O ATOM 617 CB MET A 420 -0.068 -5.719 -5.252 1.00 0.00 C ATOM 618 CG MET A 420 -1.563 -5.698 -4.977 1.00 0.00 C ATOM 619 SD MET A 420 -2.444 -7.024 -5.823 1.00 0.00 S ATOM 620 CE MET A 420 -3.214 -7.858 -4.438 1.00 0.00 C ATOM 0 H MET A 420 2.263 -4.937 -5.868 1.00 0.00 H new ATOM 0 HA MET A 420 -0.073 -5.782 -7.397 1.00 0.00 H new ATOM 0 HB2 MET A 420 0.289 -6.747 -5.197 1.00 0.00 H new ATOM 0 HB3 MET A 420 0.445 -5.161 -4.469 1.00 0.00 H new ATOM 0 HG2 MET A 420 -1.732 -5.782 -3.903 1.00 0.00 H new ATOM 0 HG3 MET A 420 -1.973 -4.738 -5.290 1.00 0.00 H new ATOM 0 HE1 MET A 420 -3.183 -8.936 -4.599 1.00 0.00 H new ATOM 0 HE2 MET A 420 -2.678 -7.612 -3.521 1.00 0.00 H new ATOM 0 HE3 MET A 420 -4.251 -7.534 -4.349 1.00 0.00 H new ATOM 630 N PHE A 421 0.456 -2.716 -6.448 1.00 0.00 N ATOM 631 CA PHE A 421 -0.023 -1.343 -6.557 1.00 0.00 C ATOM 632 C PHE A 421 0.686 -0.609 -7.691 1.00 0.00 C ATOM 633 O PHE A 421 0.211 0.420 -8.172 1.00 0.00 O ATOM 634 CB PHE A 421 0.195 -0.598 -5.238 1.00 0.00 C ATOM 635 CG PHE A 421 -0.852 -0.896 -4.202 1.00 0.00 C ATOM 636 CD1 PHE A 421 -1.223 -2.203 -3.929 1.00 0.00 C ATOM 637 CD2 PHE A 421 -1.464 0.131 -3.503 1.00 0.00 C ATOM 638 CE1 PHE A 421 -2.185 -2.480 -2.976 1.00 0.00 C ATOM 639 CE2 PHE A 421 -2.426 -0.140 -2.549 1.00 0.00 C ATOM 640 CZ PHE A 421 -2.788 -1.447 -2.286 1.00 0.00 C ATOM 0 H PHE A 421 1.413 -2.803 -6.105 1.00 0.00 H new ATOM 0 HA PHE A 421 -1.090 -1.373 -6.777 1.00 0.00 H new ATOM 0 HB2 PHE A 421 1.175 -0.861 -4.839 1.00 0.00 H new ATOM 0 HB3 PHE A 421 0.207 0.474 -5.433 1.00 0.00 H new ATOM 0 HD1 PHE A 421 -0.755 -3.014 -4.467 1.00 0.00 H new ATOM 0 HD2 PHE A 421 -1.186 1.155 -3.706 1.00 0.00 H new ATOM 0 HE1 PHE A 421 -2.465 -3.503 -2.771 1.00 0.00 H new ATOM 0 HE2 PHE A 421 -2.895 0.670 -2.009 1.00 0.00 H new ATOM 0 HZ PHE A 421 -3.541 -1.660 -1.542 1.00 0.00 H new ATOM 650 N MET A 422 1.826 -1.145 -8.115 1.00 0.00 N ATOM 651 CA MET A 422 2.600 -0.542 -9.193 1.00 0.00 C ATOM 652 C MET A 422 1.726 -0.295 -10.418 1.00 0.00 C ATOM 653 O MET A 422 1.757 0.775 -11.028 1.00 0.00 O ATOM 654 CB MET A 422 3.781 -1.440 -9.567 1.00 0.00 C ATOM 655 CG MET A 422 5.067 -1.088 -8.838 1.00 0.00 C ATOM 656 SD MET A 422 6.059 0.128 -9.725 1.00 0.00 S ATOM 657 CE MET A 422 7.679 -0.629 -9.642 1.00 0.00 C ATOM 0 H MET A 422 2.234 -1.996 -7.728 1.00 0.00 H new ATOM 0 HA MET A 422 2.980 0.417 -8.841 1.00 0.00 H new ATOM 0 HB2 MET A 422 3.522 -2.476 -9.350 1.00 0.00 H new ATOM 0 HB3 MET A 422 3.952 -1.373 -10.641 1.00 0.00 H new ATOM 0 HG2 MET A 422 4.825 -0.701 -7.848 1.00 0.00 H new ATOM 0 HG3 MET A 422 5.656 -1.993 -8.691 1.00 0.00 H new ATOM 0 HE1 MET A 422 8.404 0.007 -10.149 1.00 0.00 H new ATOM 0 HE2 MET A 422 7.970 -0.751 -8.599 1.00 0.00 H new ATOM 0 HE3 MET A 422 7.650 -1.605 -10.127 1.00 0.00 H new ATOM 667 N PRO A 423 0.927 -1.307 -10.790 1.00 0.00 N ATOM 668 CA PRO A 423 0.029 -1.222 -11.945 1.00 0.00 C ATOM 669 C PRO A 423 -0.789 0.064 -11.951 1.00 0.00 C ATOM 670 O PRO A 423 -1.039 0.647 -13.006 1.00 0.00 O ATOM 671 CB PRO A 423 -0.886 -2.437 -11.772 1.00 0.00 C ATOM 672 CG PRO A 423 -0.080 -3.410 -10.981 1.00 0.00 C ATOM 673 CD PRO A 423 0.839 -2.610 -10.109 1.00 0.00 C ATOM 0 HA PRO A 423 0.577 -1.214 -12.887 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -1.805 -2.169 -11.251 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -1.176 -2.855 -12.736 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -0.727 -4.047 -10.378 1.00 0.00 H new ATOM 0 HG3 PRO A 423 0.488 -4.066 -11.640 1.00 0.00 H new ATOM 0 HD2 PRO A 423 0.443 -2.507 -9.099 1.00 0.00 H new ATOM 0 HD3 PRO A 423 1.818 -3.082 -10.021 1.00 0.00 H new ATOM 681 N PHE A 424 -1.204 0.502 -10.767 1.00 0.00 N ATOM 682 CA PHE A 424 -1.995 1.720 -10.637 1.00 0.00 C ATOM 683 C PHE A 424 -1.140 2.955 -10.909 1.00 0.00 C ATOM 684 O PHE A 424 -1.613 3.936 -11.479 1.00 0.00 O ATOM 685 CB PHE A 424 -2.607 1.808 -9.237 1.00 0.00 C ATOM 686 CG PHE A 424 -3.710 0.816 -9.002 1.00 0.00 C ATOM 687 CD1 PHE A 424 -3.419 -0.498 -8.671 1.00 0.00 C ATOM 688 CD2 PHE A 424 -5.037 1.196 -9.111 1.00 0.00 C ATOM 689 CE1 PHE A 424 -4.432 -1.413 -8.455 1.00 0.00 C ATOM 690 CE2 PHE A 424 -6.054 0.285 -8.896 1.00 0.00 C ATOM 691 CZ PHE A 424 -5.751 -1.021 -8.566 1.00 0.00 C ATOM 0 H PHE A 424 -1.006 0.032 -9.884 1.00 0.00 H new ATOM 0 HA PHE A 424 -2.796 1.684 -11.375 1.00 0.00 H new ATOM 0 HB2 PHE A 424 -1.823 1.650 -8.496 1.00 0.00 H new ATOM 0 HB3 PHE A 424 -2.995 2.815 -9.081 1.00 0.00 H new ATOM 0 HD1 PHE A 424 -2.389 -0.810 -8.581 1.00 0.00 H new ATOM 0 HD2 PHE A 424 -5.280 2.217 -9.367 1.00 0.00 H new ATOM 0 HE1 PHE A 424 -4.192 -2.434 -8.199 1.00 0.00 H new ATOM 0 HE2 PHE A 424 -7.085 0.594 -8.986 1.00 0.00 H new ATOM 0 HZ PHE A 424 -6.544 -1.734 -8.395 1.00 0.00 H new ATOM 701 N GLY A 425 0.122 2.897 -10.494 1.00 0.00 N ATOM 702 CA GLY A 425 1.022 4.017 -10.701 1.00 0.00 C ATOM 703 C GLY A 425 2.366 3.810 -10.032 1.00 0.00 C ATOM 704 O GLY A 425 2.659 2.724 -9.533 1.00 0.00 O ATOM 0 H GLY A 425 0.537 2.095 -10.019 1.00 0.00 H new ATOM 0 HA2 GLY A 425 1.171 4.167 -11.770 1.00 0.00 H new ATOM 0 HA3 GLY A 425 0.562 4.926 -10.313 1.00 0.00 H new ATOM 708 N ASN A 426 3.187 4.856 -10.021 1.00 0.00 N ATOM 709 CA ASN A 426 4.509 4.784 -9.410 1.00 0.00 C ATOM 710 C ASN A 426 4.407 4.818 -7.887 1.00 0.00 C ATOM 711 O ASN A 426 3.960 5.807 -7.307 1.00 0.00 O ATOM 712 CB ASN A 426 5.384 5.938 -9.900 1.00 0.00 C ATOM 713 CG ASN A 426 5.341 6.098 -11.407 1.00 0.00 C ATOM 714 OD1 ASN A 426 4.298 6.415 -11.980 1.00 0.00 O ATOM 715 ND2 ASN A 426 6.477 5.876 -12.058 1.00 0.00 N ATOM 0 H ASN A 426 2.960 5.763 -10.428 1.00 0.00 H new ATOM 0 HA ASN A 426 4.967 3.840 -9.705 1.00 0.00 H new ATOM 0 HB2 ASN A 426 5.055 6.865 -9.430 1.00 0.00 H new ATOM 0 HB3 ASN A 426 6.414 5.769 -9.585 1.00 0.00 H new ATOM 0 HD21 ASN A 426 6.509 5.966 -13.074 1.00 0.00 H new ATOM 0 HD22 ASN A 426 7.318 5.615 -11.542 1.00 0.00 H new ATOM 722 N VAL A 427 4.826 3.732 -7.247 1.00 0.00 N ATOM 723 CA VAL A 427 4.784 3.638 -5.792 1.00 0.00 C ATOM 724 C VAL A 427 6.052 4.209 -5.168 1.00 0.00 C ATOM 725 O VAL A 427 7.157 3.740 -5.440 1.00 0.00 O ATOM 726 CB VAL A 427 4.609 2.180 -5.329 1.00 0.00 C ATOM 727 CG1 VAL A 427 4.623 2.097 -3.810 1.00 0.00 C ATOM 728 CG2 VAL A 427 3.324 1.592 -5.893 1.00 0.00 C ATOM 0 H VAL A 427 5.199 2.904 -7.713 1.00 0.00 H new ATOM 0 HA VAL A 427 3.925 4.222 -5.462 1.00 0.00 H new ATOM 0 HB VAL A 427 5.446 1.593 -5.708 1.00 0.00 H new ATOM 0 HG11 VAL A 427 4.498 1.059 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 427 5.573 2.476 -3.434 1.00 0.00 H new ATOM 0 HG13 VAL A 427 3.808 2.697 -3.405 1.00 0.00 H new ATOM 0 HG21 VAL A 427 3.217 0.561 -5.555 1.00 0.00 H new ATOM 0 HG22 VAL A 427 2.473 2.178 -5.546 1.00 0.00 H new ATOM 0 HG23 VAL A 427 3.361 1.615 -6.982 1.00 0.00 H new ATOM 738 N VAL A 428 5.885 5.226 -4.328 1.00 0.00 N ATOM 739 CA VAL A 428 7.016 5.862 -3.663 1.00 0.00 C ATOM 740 C VAL A 428 7.505 5.023 -2.487 1.00 0.00 C ATOM 741 O VAL A 428 8.707 4.843 -2.297 1.00 0.00 O ATOM 742 CB VAL A 428 6.651 7.270 -3.158 1.00 0.00 C ATOM 743 CG1 VAL A 428 7.852 7.927 -2.493 1.00 0.00 C ATOM 744 CG2 VAL A 428 6.130 8.127 -4.302 1.00 0.00 C ATOM 0 H VAL A 428 4.977 5.627 -4.092 1.00 0.00 H new ATOM 0 HA VAL A 428 7.812 5.945 -4.403 1.00 0.00 H new ATOM 0 HB VAL A 428 5.860 7.177 -2.414 1.00 0.00 H new ATOM 0 HG11 VAL A 428 7.575 8.921 -2.142 1.00 0.00 H new ATOM 0 HG12 VAL A 428 8.176 7.321 -1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 428 8.666 8.010 -3.213 1.00 0.00 H new ATOM 0 HG21 VAL A 428 5.877 9.119 -3.928 1.00 0.00 H new ATOM 0 HG22 VAL A 428 6.898 8.214 -5.070 1.00 0.00 H new ATOM 0 HG23 VAL A 428 5.241 7.663 -4.729 1.00 0.00 H new ATOM 754 N SER A 429 6.562 4.512 -1.701 1.00 0.00 N ATOM 755 CA SER A 429 6.896 3.694 -0.540 1.00 0.00 C ATOM 756 C SER A 429 6.047 2.426 -0.507 1.00 0.00 C ATOM 757 O SER A 429 4.852 2.459 -0.795 1.00 0.00 O ATOM 758 CB SER A 429 6.693 4.493 0.749 1.00 0.00 C ATOM 759 OG SER A 429 6.963 5.868 0.544 1.00 0.00 O ATOM 0 H SER A 429 5.562 4.650 -1.847 1.00 0.00 H new ATOM 0 HA SER A 429 7.944 3.406 -0.618 1.00 0.00 H new ATOM 0 HB2 SER A 429 5.669 4.369 1.100 1.00 0.00 H new ATOM 0 HB3 SER A 429 7.347 4.103 1.529 1.00 0.00 H new ATOM 0 HG SER A 429 6.216 6.280 0.062 1.00 0.00 H new ATOM 765 N ALA A 430 6.676 1.310 -0.152 1.00 0.00 N ATOM 766 CA ALA A 430 5.980 0.032 -0.078 1.00 0.00 C ATOM 767 C ALA A 430 6.715 -0.941 0.836 1.00 0.00 C ATOM 768 O ALA A 430 7.875 -1.276 0.599 1.00 0.00 O ATOM 769 CB ALA A 430 5.821 -0.564 -1.469 1.00 0.00 C ATOM 0 H ALA A 430 7.666 1.266 0.089 1.00 0.00 H new ATOM 0 HA ALA A 430 4.991 0.209 0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 430 5.299 -1.519 -1.398 1.00 0.00 H new ATOM 0 HB2 ALA A 430 5.245 0.119 -2.094 1.00 0.00 H new ATOM 0 HB3 ALA A 430 6.804 -0.720 -1.913 1.00 0.00 H new ATOM 775 N LYS A 431 6.032 -1.393 1.883 1.00 0.00 N ATOM 776 CA LYS A 431 6.621 -2.330 2.834 1.00 0.00 C ATOM 777 C LYS A 431 5.536 -3.039 3.639 1.00 0.00 C ATOM 778 O LYS A 431 4.402 -2.568 3.723 1.00 0.00 O ATOM 779 CB LYS A 431 7.576 -1.597 3.778 1.00 0.00 C ATOM 780 CG LYS A 431 7.697 -2.248 5.145 1.00 0.00 C ATOM 781 CD LYS A 431 8.650 -1.479 6.045 1.00 0.00 C ATOM 782 CE LYS A 431 8.658 -2.042 7.459 1.00 0.00 C ATOM 783 NZ LYS A 431 7.577 -1.453 8.295 1.00 0.00 N ATOM 0 H LYS A 431 5.071 -1.126 2.095 1.00 0.00 H new ATOM 0 HA LYS A 431 7.180 -3.078 2.272 1.00 0.00 H new ATOM 0 HB2 LYS A 431 8.563 -1.550 3.318 1.00 0.00 H new ATOM 0 HB3 LYS A 431 7.233 -0.570 3.903 1.00 0.00 H new ATOM 0 HG2 LYS A 431 6.714 -2.299 5.613 1.00 0.00 H new ATOM 0 HG3 LYS A 431 8.050 -3.273 5.031 1.00 0.00 H new ATOM 0 HD2 LYS A 431 9.657 -1.520 5.630 1.00 0.00 H new ATOM 0 HD3 LYS A 431 8.359 -0.429 6.072 1.00 0.00 H new ATOM 0 HE2 LYS A 431 8.538 -3.125 7.420 1.00 0.00 H new ATOM 0 HE3 LYS A 431 9.624 -1.845 7.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 431 7.726 -1.715 9.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 431 7.593 -0.417 8.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 431 6.656 -1.815 7.976 1.00 0.00 H new ATOM 797 N VAL A 432 5.893 -4.173 4.233 1.00 0.00 N ATOM 798 CA VAL A 432 4.952 -4.945 5.035 1.00 0.00 C ATOM 799 C VAL A 432 5.430 -5.069 6.477 1.00 0.00 C ATOM 800 O VAL A 432 6.621 -5.252 6.735 1.00 0.00 O ATOM 801 CB VAL A 432 4.744 -6.357 4.452 1.00 0.00 C ATOM 802 CG1 VAL A 432 3.676 -7.105 5.235 1.00 0.00 C ATOM 803 CG2 VAL A 432 4.378 -6.274 2.979 1.00 0.00 C ATOM 0 H VAL A 432 6.828 -4.577 4.174 1.00 0.00 H new ATOM 0 HA VAL A 432 4.004 -4.407 5.015 1.00 0.00 H new ATOM 0 HB VAL A 432 5.679 -6.911 4.540 1.00 0.00 H new ATOM 0 HG11 VAL A 432 3.542 -8.100 4.809 1.00 0.00 H new ATOM 0 HG12 VAL A 432 3.984 -7.194 6.277 1.00 0.00 H new ATOM 0 HG13 VAL A 432 2.735 -6.558 5.181 1.00 0.00 H new ATOM 0 HG21 VAL A 432 4.235 -7.279 2.583 1.00 0.00 H new ATOM 0 HG22 VAL A 432 3.456 -5.704 2.865 1.00 0.00 H new ATOM 0 HG23 VAL A 432 5.181 -5.779 2.432 1.00 0.00 H new ATOM 813 N PHE A 433 4.495 -4.967 7.415 1.00 0.00 N ATOM 814 CA PHE A 433 4.821 -5.067 8.834 1.00 0.00 C ATOM 815 C PHE A 433 4.899 -6.526 9.273 1.00 0.00 C ATOM 816 O PHE A 433 4.242 -7.395 8.698 1.00 0.00 O ATOM 817 CB PHE A 433 3.776 -4.327 9.672 1.00 0.00 C ATOM 818 CG PHE A 433 3.984 -2.840 9.711 1.00 0.00 C ATOM 819 CD1 PHE A 433 4.360 -2.149 8.571 1.00 0.00 C ATOM 820 CD2 PHE A 433 3.803 -2.133 10.889 1.00 0.00 C ATOM 821 CE1 PHE A 433 4.551 -0.780 8.603 1.00 0.00 C ATOM 822 CE2 PHE A 433 3.992 -0.764 10.927 1.00 0.00 C ATOM 823 CZ PHE A 433 4.368 -0.088 9.783 1.00 0.00 C ATOM 0 H PHE A 433 3.506 -4.815 7.219 1.00 0.00 H new ATOM 0 HA PHE A 433 5.796 -4.606 8.990 1.00 0.00 H new ATOM 0 HB2 PHE A 433 2.785 -4.537 9.270 1.00 0.00 H new ATOM 0 HB3 PHE A 433 3.796 -4.716 10.690 1.00 0.00 H new ATOM 0 HD1 PHE A 433 4.506 -2.686 7.646 1.00 0.00 H new ATOM 0 HD2 PHE A 433 3.511 -2.657 11.787 1.00 0.00 H new ATOM 0 HE1 PHE A 433 4.843 -0.253 7.706 1.00 0.00 H new ATOM 0 HE2 PHE A 433 3.846 -0.224 11.851 1.00 0.00 H new ATOM 0 HZ PHE A 433 4.519 0.981 9.812 1.00 0.00 H new ATOM 983 N CYS A 443 -0.112 -9.438 7.992 1.00 0.00 N ATOM 984 CA CYS A 443 -1.264 -9.426 7.097 1.00 0.00 C ATOM 985 C CYS A 443 -1.655 -7.998 6.732 1.00 0.00 C ATOM 986 O CYS A 443 -2.808 -7.727 6.394 1.00 0.00 O ATOM 987 CB CYS A 443 -2.448 -10.143 7.748 1.00 0.00 C ATOM 988 SG CYS A 443 -3.516 -9.062 8.728 1.00 0.00 S ATOM 0 HA CYS A 443 -0.989 -9.951 6.183 1.00 0.00 H new ATOM 0 HB2 CYS A 443 -3.045 -10.617 6.969 1.00 0.00 H new ATOM 0 HB3 CYS A 443 -2.069 -10.940 8.388 1.00 0.00 H new ATOM 0 HG CYS A 443 -3.736 -7.960 8.074 1.00 0.00 H new ATOM 994 N PHE A 444 -0.689 -7.089 6.804 1.00 0.00 N ATOM 995 CA PHE A 444 -0.933 -5.687 6.484 1.00 0.00 C ATOM 996 C PHE A 444 0.378 -4.952 6.227 1.00 0.00 C ATOM 997 O PHE A 444 1.379 -5.191 6.900 1.00 0.00 O ATOM 998 CB PHE A 444 -1.697 -5.008 7.623 1.00 0.00 C ATOM 999 CG PHE A 444 -0.817 -4.571 8.759 1.00 0.00 C ATOM 1000 CD1 PHE A 444 0.111 -3.557 8.582 1.00 0.00 C ATOM 1001 CD2 PHE A 444 -0.918 -5.173 10.002 1.00 0.00 C ATOM 1002 CE1 PHE A 444 0.922 -3.153 9.626 1.00 0.00 C ATOM 1003 CE2 PHE A 444 -0.108 -4.774 11.048 1.00 0.00 C ATOM 1004 CZ PHE A 444 0.812 -3.761 10.861 1.00 0.00 C ATOM 0 H PHE A 444 0.270 -7.298 7.081 1.00 0.00 H new ATOM 0 HA PHE A 444 -1.535 -5.647 5.577 1.00 0.00 H new ATOM 0 HB2 PHE A 444 -2.225 -4.140 7.229 1.00 0.00 H new ATOM 0 HB3 PHE A 444 -2.453 -5.695 8.003 1.00 0.00 H new ATOM 0 HD1 PHE A 444 0.201 -3.078 7.619 1.00 0.00 H new ATOM 0 HD2 PHE A 444 -1.638 -5.963 10.156 1.00 0.00 H new ATOM 0 HE1 PHE A 444 1.642 -2.362 9.476 1.00 0.00 H new ATOM 0 HE2 PHE A 444 -0.194 -5.254 12.012 1.00 0.00 H new ATOM 0 HZ PHE A 444 1.444 -3.445 11.678 1.00 0.00 H new ATOM 1014 N GLY A 445 0.364 -4.054 5.246 1.00 0.00 N ATOM 1015 CA GLY A 445 1.557 -3.297 4.916 1.00 0.00 C ATOM 1016 C GLY A 445 1.268 -1.825 4.700 1.00 0.00 C ATOM 1017 O GLY A 445 0.113 -1.400 4.730 1.00 0.00 O ATOM 0 H GLY A 445 -0.452 -3.838 4.674 1.00 0.00 H new ATOM 0 HA2 GLY A 445 2.287 -3.407 5.718 1.00 0.00 H new ATOM 0 HA3 GLY A 445 2.009 -3.711 4.015 1.00 0.00 H new ATOM 1021 N PHE A 446 2.321 -1.042 4.481 1.00 0.00 N ATOM 1022 CA PHE A 446 2.175 0.391 4.262 1.00 0.00 C ATOM 1023 C PHE A 446 2.588 0.769 2.842 1.00 0.00 C ATOM 1024 O PHE A 446 3.401 0.088 2.218 1.00 0.00 O ATOM 1025 CB PHE A 446 3.016 1.172 5.274 1.00 0.00 C ATOM 1026 CG PHE A 446 3.040 2.652 5.020 1.00 0.00 C ATOM 1027 CD1 PHE A 446 1.859 3.364 4.884 1.00 0.00 C ATOM 1028 CD2 PHE A 446 4.243 3.331 4.917 1.00 0.00 C ATOM 1029 CE1 PHE A 446 1.879 4.726 4.649 1.00 0.00 C ATOM 1030 CE2 PHE A 446 4.268 4.693 4.683 1.00 0.00 C ATOM 1031 CZ PHE A 446 3.084 5.392 4.549 1.00 0.00 C ATOM 0 H PHE A 446 3.284 -1.377 4.451 1.00 0.00 H new ATOM 0 HA PHE A 446 1.125 0.648 4.397 1.00 0.00 H new ATOM 0 HB2 PHE A 446 2.626 0.990 6.275 1.00 0.00 H new ATOM 0 HB3 PHE A 446 4.037 0.792 5.256 1.00 0.00 H new ATOM 0 HD1 PHE A 446 0.913 2.849 4.962 1.00 0.00 H new ATOM 0 HD2 PHE A 446 5.172 2.790 5.021 1.00 0.00 H new ATOM 0 HE1 PHE A 446 0.952 5.269 4.544 1.00 0.00 H new ATOM 0 HE2 PHE A 446 5.213 5.211 4.605 1.00 0.00 H new ATOM 0 HZ PHE A 446 3.101 6.456 4.367 1.00 0.00 H new ATOM 1041 N VAL A 447 2.019 1.860 2.338 1.00 0.00 N ATOM 1042 CA VAL A 447 2.328 2.330 0.992 1.00 0.00 C ATOM 1043 C VAL A 447 2.005 3.812 0.841 1.00 0.00 C ATOM 1044 O VAL A 447 1.158 4.350 1.554 1.00 0.00 O ATOM 1045 CB VAL A 447 1.549 1.534 -0.071 1.00 0.00 C ATOM 1046 CG1 VAL A 447 1.738 2.155 -1.448 1.00 0.00 C ATOM 1047 CG2 VAL A 447 1.984 0.077 -0.071 1.00 0.00 C ATOM 0 H VAL A 447 1.342 2.434 2.841 1.00 0.00 H new ATOM 0 HA VAL A 447 3.396 2.177 0.839 1.00 0.00 H new ATOM 0 HB VAL A 447 0.488 1.573 0.177 1.00 0.00 H new ATOM 0 HG11 VAL A 447 1.180 1.579 -2.187 1.00 0.00 H new ATOM 0 HG12 VAL A 447 1.373 3.182 -1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 447 2.797 2.149 -1.708 1.00 0.00 H new ATOM 0 HG21 VAL A 447 1.423 -0.470 -0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 447 3.049 0.015 -0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 447 1.792 -0.360 0.909 1.00 0.00 H new ATOM 1057 N SER A 448 2.685 4.468 -0.095 1.00 0.00 N ATOM 1058 CA SER A 448 2.474 5.889 -0.339 1.00 0.00 C ATOM 1059 C SER A 448 2.829 6.252 -1.778 1.00 0.00 C ATOM 1060 O SER A 448 3.756 5.690 -2.361 1.00 0.00 O ATOM 1061 CB SER A 448 3.311 6.725 0.632 1.00 0.00 C ATOM 1062 OG SER A 448 2.596 6.988 1.826 1.00 0.00 O ATOM 0 H SER A 448 3.387 4.037 -0.697 1.00 0.00 H new ATOM 0 HA SER A 448 1.418 6.107 -0.178 1.00 0.00 H new ATOM 0 HB2 SER A 448 4.236 6.198 0.867 1.00 0.00 H new ATOM 0 HB3 SER A 448 3.592 7.666 0.158 1.00 0.00 H new ATOM 0 HG SER A 448 2.905 6.383 2.532 1.00 0.00 H new ATOM 1068 N TYR A 449 2.085 7.195 -2.344 1.00 0.00 N ATOM 1069 CA TYR A 449 2.317 7.633 -3.715 1.00 0.00 C ATOM 1070 C TYR A 449 2.919 9.034 -3.745 1.00 0.00 C ATOM 1071 O TYR A 449 3.238 9.607 -2.703 1.00 0.00 O ATOM 1072 CB TYR A 449 1.010 7.611 -4.508 1.00 0.00 C ATOM 1073 CG TYR A 449 0.623 6.234 -5.000 1.00 0.00 C ATOM 1074 CD1 TYR A 449 0.631 5.142 -4.143 1.00 0.00 C ATOM 1075 CD2 TYR A 449 0.252 6.026 -6.323 1.00 0.00 C ATOM 1076 CE1 TYR A 449 0.279 3.882 -4.587 1.00 0.00 C ATOM 1077 CE2 TYR A 449 -0.104 4.770 -6.776 1.00 0.00 C ATOM 1078 CZ TYR A 449 -0.088 3.701 -5.905 1.00 0.00 C ATOM 1079 OH TYR A 449 -0.439 2.448 -6.352 1.00 0.00 O ATOM 0 H TYR A 449 1.315 7.671 -1.874 1.00 0.00 H new ATOM 0 HA TYR A 449 3.025 6.943 -4.175 1.00 0.00 H new ATOM 0 HB2 TYR A 449 0.208 8.002 -3.882 1.00 0.00 H new ATOM 0 HB3 TYR A 449 1.102 8.281 -5.363 1.00 0.00 H new ATOM 0 HD1 TYR A 449 0.917 5.280 -3.111 1.00 0.00 H new ATOM 0 HD2 TYR A 449 0.242 6.860 -7.009 1.00 0.00 H new ATOM 0 HE1 TYR A 449 0.291 3.043 -3.907 1.00 0.00 H new ATOM 0 HE2 TYR A 449 -0.393 4.626 -7.807 1.00 0.00 H new ATOM 0 HH TYR A 449 0.161 2.180 -7.080 1.00 0.00 H new ATOM 1089 N ASP A 450 3.072 9.579 -4.946 1.00 0.00 N ATOM 1090 CA ASP A 450 3.636 10.914 -5.114 1.00 0.00 C ATOM 1091 C ASP A 450 2.593 11.985 -4.807 1.00 0.00 C ATOM 1092 O ASP A 450 2.928 13.153 -4.610 1.00 0.00 O ATOM 1093 CB ASP A 450 4.164 11.093 -6.538 1.00 0.00 C ATOM 1094 CG ASP A 450 4.745 12.474 -6.771 1.00 0.00 C ATOM 1095 OD1 ASP A 450 5.219 13.091 -5.793 1.00 0.00 O ATOM 1096 OD2 ASP A 450 4.727 12.936 -7.931 1.00 0.00 O ATOM 0 H ASP A 450 2.814 9.118 -5.818 1.00 0.00 H new ATOM 0 HA ASP A 450 4.463 11.024 -4.412 1.00 0.00 H new ATOM 0 HB2 ASP A 450 4.929 10.342 -6.736 1.00 0.00 H new ATOM 0 HB3 ASP A 450 3.355 10.918 -7.247 1.00 0.00 H new ATOM 1101 N ASN A 451 1.328 11.580 -4.769 1.00 0.00 N ATOM 1102 CA ASN A 451 0.237 12.505 -4.488 1.00 0.00 C ATOM 1103 C ASN A 451 -0.996 11.758 -3.990 1.00 0.00 C ATOM 1104 O ASN A 451 -1.147 10.553 -4.195 1.00 0.00 O ATOM 1105 CB ASN A 451 -0.112 13.311 -5.740 1.00 0.00 C ATOM 1106 CG ASN A 451 0.097 12.516 -7.016 1.00 0.00 C ATOM 1107 OD1 ASN A 451 0.222 11.292 -6.984 1.00 0.00 O ATOM 1108 ND2 ASN A 451 0.136 13.212 -8.147 1.00 0.00 N ATOM 0 H ASN A 451 1.033 10.617 -4.929 1.00 0.00 H new ATOM 0 HA ASN A 451 0.566 13.188 -3.705 1.00 0.00 H new ATOM 0 HB2 ASN A 451 -1.151 13.635 -5.683 1.00 0.00 H new ATOM 0 HB3 ASN A 451 0.501 14.212 -5.772 1.00 0.00 H new ATOM 0 HD21 ASN A 451 0.274 12.732 -9.037 1.00 0.00 H new ATOM 0 HD22 ASN A 451 0.028 14.226 -8.126 1.00 0.00 H new ATOM 1115 N PRO A 452 -1.900 12.488 -3.320 1.00 0.00 N ATOM 1116 CA PRO A 452 -3.137 11.915 -2.780 1.00 0.00 C ATOM 1117 C PRO A 452 -4.171 11.638 -3.867 1.00 0.00 C ATOM 1118 O PRO A 452 -5.112 10.871 -3.662 1.00 0.00 O ATOM 1119 CB PRO A 452 -3.642 12.998 -1.824 1.00 0.00 C ATOM 1120 CG PRO A 452 -3.100 14.272 -2.375 1.00 0.00 C ATOM 1121 CD PRO A 452 -1.786 13.928 -3.038 1.00 0.00 C ATOM 0 HA PRO A 452 -2.964 10.951 -2.301 1.00 0.00 H new ATOM 0 HB2 PRO A 452 -4.731 13.015 -1.785 1.00 0.00 H new ATOM 0 HB3 PRO A 452 -3.289 12.825 -0.807 1.00 0.00 H new ATOM 0 HG2 PRO A 452 -3.794 14.710 -3.093 1.00 0.00 H new ATOM 0 HG3 PRO A 452 -2.954 15.006 -1.583 1.00 0.00 H new ATOM 0 HD2 PRO A 452 -1.636 14.504 -3.951 1.00 0.00 H new ATOM 0 HD3 PRO A 452 -0.940 14.142 -2.384 1.00 0.00 H new ATOM 1129 N VAL A 453 -3.989 12.267 -5.023 1.00 0.00 N ATOM 1130 CA VAL A 453 -4.905 12.088 -6.144 1.00 0.00 C ATOM 1131 C VAL A 453 -4.740 10.709 -6.773 1.00 0.00 C ATOM 1132 O VAL A 453 -5.721 10.044 -7.103 1.00 0.00 O ATOM 1133 CB VAL A 453 -4.688 13.163 -7.224 1.00 0.00 C ATOM 1134 CG1 VAL A 453 -5.652 12.959 -8.382 1.00 0.00 C ATOM 1135 CG2 VAL A 453 -4.844 14.555 -6.629 1.00 0.00 C ATOM 0 H VAL A 453 -3.215 12.905 -5.208 1.00 0.00 H new ATOM 0 HA VAL A 453 -5.915 12.184 -5.746 1.00 0.00 H new ATOM 0 HB VAL A 453 -3.672 13.068 -7.607 1.00 0.00 H new ATOM 0 HG11 VAL A 453 -5.484 13.728 -9.136 1.00 0.00 H new ATOM 0 HG12 VAL A 453 -5.487 11.976 -8.824 1.00 0.00 H new ATOM 0 HG13 VAL A 453 -6.677 13.026 -8.018 1.00 0.00 H new ATOM 0 HG21 VAL A 453 -4.687 15.303 -7.406 1.00 0.00 H new ATOM 0 HG22 VAL A 453 -5.847 14.664 -6.217 1.00 0.00 H new ATOM 0 HG23 VAL A 453 -4.109 14.696 -5.836 1.00 0.00 H new ATOM 1145 N SER A 454 -3.490 10.285 -6.938 1.00 0.00 N ATOM 1146 CA SER A 454 -3.195 8.987 -7.531 1.00 0.00 C ATOM 1147 C SER A 454 -3.340 7.873 -6.499 1.00 0.00 C ATOM 1148 O SER A 454 -3.872 6.803 -6.794 1.00 0.00 O ATOM 1149 CB SER A 454 -1.781 8.978 -8.113 1.00 0.00 C ATOM 1150 OG SER A 454 -1.617 10.009 -9.071 1.00 0.00 O ATOM 0 H SER A 454 -2.666 10.823 -6.669 1.00 0.00 H new ATOM 0 HA SER A 454 -3.911 8.810 -8.334 1.00 0.00 H new ATOM 0 HB2 SER A 454 -1.054 9.104 -7.311 1.00 0.00 H new ATOM 0 HB3 SER A 454 -1.581 8.012 -8.576 1.00 0.00 H new ATOM 0 HG SER A 454 -1.002 10.687 -8.720 1.00 0.00 H new ATOM 1156 N ALA A 455 -2.862 8.132 -5.286 1.00 0.00 N ATOM 1157 CA ALA A 455 -2.939 7.152 -4.209 1.00 0.00 C ATOM 1158 C ALA A 455 -4.355 6.607 -4.064 1.00 0.00 C ATOM 1159 O ALA A 455 -4.548 5.432 -3.751 1.00 0.00 O ATOM 1160 CB ALA A 455 -2.472 7.771 -2.899 1.00 0.00 C ATOM 0 H ALA A 455 -2.417 9.012 -5.025 1.00 0.00 H new ATOM 0 HA ALA A 455 -2.282 6.319 -4.460 1.00 0.00 H new ATOM 0 HB1 ALA A 455 -2.535 7.029 -2.103 1.00 0.00 H new ATOM 0 HB2 ALA A 455 -1.440 8.106 -3.002 1.00 0.00 H new ATOM 0 HB3 ALA A 455 -3.107 8.622 -2.652 1.00 0.00 H new ATOM 1166 N GLN A 456 -5.342 7.467 -4.293 1.00 0.00 N ATOM 1167 CA GLN A 456 -6.741 7.070 -4.185 1.00 0.00 C ATOM 1168 C GLN A 456 -7.106 6.062 -5.269 1.00 0.00 C ATOM 1169 O GLN A 456 -7.766 5.059 -5.001 1.00 0.00 O ATOM 1170 CB GLN A 456 -7.651 8.297 -4.285 1.00 0.00 C ATOM 1171 CG GLN A 456 -7.952 8.942 -2.943 1.00 0.00 C ATOM 1172 CD GLN A 456 -8.728 8.028 -2.016 1.00 0.00 C ATOM 1173 OE1 GLN A 456 -9.125 6.927 -2.400 1.00 0.00 O ATOM 1174 NE2 GLN A 456 -8.951 8.480 -0.787 1.00 0.00 N ATOM 0 H GLN A 456 -5.199 8.443 -4.554 1.00 0.00 H new ATOM 0 HA GLN A 456 -6.885 6.598 -3.213 1.00 0.00 H new ATOM 0 HB2 GLN A 456 -7.182 9.035 -4.936 1.00 0.00 H new ATOM 0 HB3 GLN A 456 -8.589 8.006 -4.757 1.00 0.00 H new ATOM 0 HG2 GLN A 456 -7.016 9.229 -2.464 1.00 0.00 H new ATOM 0 HG3 GLN A 456 -8.521 9.858 -3.104 1.00 0.00 H new ATOM 0 HE21 GLN A 456 -8.604 9.398 -0.511 1.00 0.00 H new ATOM 0 HE22 GLN A 456 -9.469 7.909 -0.120 1.00 0.00 H new ATOM 1183 N ALA A 457 -6.672 6.336 -6.495 1.00 0.00 N ATOM 1184 CA ALA A 457 -6.951 5.451 -7.620 1.00 0.00 C ATOM 1185 C ALA A 457 -6.891 3.988 -7.195 1.00 0.00 C ATOM 1186 O ALA A 457 -7.742 3.185 -7.579 1.00 0.00 O ATOM 1187 CB ALA A 457 -5.972 5.714 -8.754 1.00 0.00 C ATOM 0 H ALA A 457 -6.126 7.164 -6.735 1.00 0.00 H new ATOM 0 HA ALA A 457 -7.961 5.659 -7.972 1.00 0.00 H new ATOM 0 HB1 ALA A 457 -6.192 5.046 -9.587 1.00 0.00 H new ATOM 0 HB2 ALA A 457 -6.066 6.749 -9.084 1.00 0.00 H new ATOM 0 HB3 ALA A 457 -4.955 5.536 -8.405 1.00 0.00 H new ATOM 1193 N ALA A 458 -5.882 3.648 -6.401 1.00 0.00 N ATOM 1194 CA ALA A 458 -5.713 2.281 -5.923 1.00 0.00 C ATOM 1195 C ALA A 458 -6.906 1.841 -5.082 1.00 0.00 C ATOM 1196 O ALA A 458 -7.689 0.988 -5.497 1.00 0.00 O ATOM 1197 CB ALA A 458 -4.425 2.156 -5.122 1.00 0.00 C ATOM 0 H ALA A 458 -5.169 4.300 -6.075 1.00 0.00 H new ATOM 0 HA ALA A 458 -5.653 1.625 -6.791 1.00 0.00 H new ATOM 0 HB1 ALA A 458 -4.312 1.130 -4.772 1.00 0.00 H new ATOM 0 HB2 ALA A 458 -3.577 2.419 -5.754 1.00 0.00 H new ATOM 0 HB3 ALA A 458 -4.462 2.830 -4.266 1.00 0.00 H new ATOM 1203 N ILE A 459 -7.037 2.431 -3.897 1.00 0.00 N ATOM 1204 CA ILE A 459 -8.135 2.099 -2.998 1.00 0.00 C ATOM 1205 C ILE A 459 -9.457 2.009 -3.753 1.00 0.00 C ATOM 1206 O ILE A 459 -10.203 1.042 -3.604 1.00 0.00 O ATOM 1207 CB ILE A 459 -8.272 3.138 -1.870 1.00 0.00 C ATOM 1208 CG1 ILE A 459 -7.015 3.145 -0.997 1.00 0.00 C ATOM 1209 CG2 ILE A 459 -9.506 2.849 -1.029 1.00 0.00 C ATOM 1210 CD1 ILE A 459 -6.898 4.367 -0.114 1.00 0.00 C ATOM 0 H ILE A 459 -6.397 3.140 -3.539 1.00 0.00 H new ATOM 0 HA ILE A 459 -7.902 1.128 -2.561 1.00 0.00 H new ATOM 0 HB ILE A 459 -8.386 4.125 -2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 459 -7.013 2.253 -0.371 1.00 0.00 H new ATOM 0 HG13 ILE A 459 -6.136 3.086 -1.639 1.00 0.00 H new ATOM 0 HG21 ILE A 459 -9.588 3.592 -0.236 1.00 0.00 H new ATOM 0 HG22 ILE A 459 -10.394 2.891 -1.660 1.00 0.00 H new ATOM 0 HG23 ILE A 459 -9.421 1.856 -0.588 1.00 0.00 H new ATOM 0 HD11 ILE A 459 -5.984 4.303 0.476 1.00 0.00 H new ATOM 0 HD12 ILE A 459 -6.868 5.263 -0.734 1.00 0.00 H new ATOM 0 HD13 ILE A 459 -7.758 4.417 0.554 1.00 0.00 H new ATOM 1222 N GLN A 460 -9.737 3.022 -4.567 1.00 0.00 N ATOM 1223 CA GLN A 460 -10.969 3.056 -5.347 1.00 0.00 C ATOM 1224 C GLN A 460 -11.373 1.653 -5.787 1.00 0.00 C ATOM 1225 O GLN A 460 -12.547 1.287 -5.725 1.00 0.00 O ATOM 1226 CB GLN A 460 -10.797 3.957 -6.571 1.00 0.00 C ATOM 1227 CG GLN A 460 -10.821 5.442 -6.242 1.00 0.00 C ATOM 1228 CD GLN A 460 -12.221 6.022 -6.262 1.00 0.00 C ATOM 1229 OE1 GLN A 460 -12.959 5.857 -7.234 1.00 0.00 O ATOM 1230 NE2 GLN A 460 -12.595 6.705 -5.187 1.00 0.00 N ATOM 0 H GLN A 460 -9.128 3.829 -4.703 1.00 0.00 H new ATOM 0 HA GLN A 460 -11.759 3.461 -4.715 1.00 0.00 H new ATOM 0 HB2 GLN A 460 -9.852 3.717 -7.059 1.00 0.00 H new ATOM 0 HB3 GLN A 460 -11.590 3.739 -7.287 1.00 0.00 H new ATOM 0 HG2 GLN A 460 -10.381 5.599 -5.257 1.00 0.00 H new ATOM 0 HG3 GLN A 460 -10.199 5.979 -6.958 1.00 0.00 H new ATOM 0 HE21 GLN A 460 -11.951 6.817 -4.404 1.00 0.00 H new ATOM 0 HE22 GLN A 460 -13.527 7.118 -5.144 1.00 0.00 H new ATOM 1239 N SER A 461 -10.394 0.872 -6.231 1.00 0.00 N ATOM 1240 CA SER A 461 -10.649 -0.490 -6.686 1.00 0.00 C ATOM 1241 C SER A 461 -10.201 -1.505 -5.639 1.00 0.00 C ATOM 1242 O SER A 461 -10.988 -2.333 -5.185 1.00 0.00 O ATOM 1243 CB SER A 461 -9.926 -0.752 -8.010 1.00 0.00 C ATOM 1244 OG SER A 461 -10.741 -0.397 -9.113 1.00 0.00 O ATOM 0 H SER A 461 -9.417 1.159 -6.285 1.00 0.00 H new ATOM 0 HA SER A 461 -11.723 -0.601 -6.838 1.00 0.00 H new ATOM 0 HB2 SER A 461 -8.998 -0.181 -8.041 1.00 0.00 H new ATOM 0 HB3 SER A 461 -9.655 -1.806 -8.078 1.00 0.00 H new ATOM 0 HG SER A 461 -10.257 -0.572 -9.947 1.00 0.00 H new ATOM 1250 N MET A 462 -8.928 -1.433 -5.262 1.00 0.00 N ATOM 1251 CA MET A 462 -8.374 -2.344 -4.268 1.00 0.00 C ATOM 1252 C MET A 462 -9.337 -2.524 -3.099 1.00 0.00 C ATOM 1253 O MET A 462 -9.591 -3.646 -2.658 1.00 0.00 O ATOM 1254 CB MET A 462 -7.029 -1.821 -3.758 1.00 0.00 C ATOM 1255 CG MET A 462 -5.978 -1.687 -4.848 1.00 0.00 C ATOM 1256 SD MET A 462 -5.900 -3.134 -5.920 1.00 0.00 S ATOM 1257 CE MET A 462 -5.340 -4.383 -4.765 1.00 0.00 C ATOM 0 H MET A 462 -8.262 -0.754 -5.630 1.00 0.00 H new ATOM 0 HA MET A 462 -8.223 -3.312 -4.745 1.00 0.00 H new ATOM 0 HB2 MET A 462 -7.180 -0.849 -3.289 1.00 0.00 H new ATOM 0 HB3 MET A 462 -6.656 -2.493 -2.985 1.00 0.00 H new ATOM 0 HG2 MET A 462 -6.195 -0.805 -5.450 1.00 0.00 H new ATOM 0 HG3 MET A 462 -5.002 -1.527 -4.389 1.00 0.00 H new ATOM 0 HE1 MET A 462 -5.175 -5.321 -5.295 1.00 0.00 H new ATOM 0 HE2 MET A 462 -4.408 -4.059 -4.302 1.00 0.00 H new ATOM 0 HE3 MET A 462 -6.096 -4.530 -3.994 1.00 0.00 H new ATOM 1267 N ASN A 463 -9.871 -1.415 -2.600 1.00 0.00 N ATOM 1268 CA ASN A 463 -10.807 -1.452 -1.482 1.00 0.00 C ATOM 1269 C ASN A 463 -11.796 -2.603 -1.638 1.00 0.00 C ATOM 1270 O ASN A 463 -12.729 -2.530 -2.437 1.00 0.00 O ATOM 1271 CB ASN A 463 -11.563 -0.126 -1.378 1.00 0.00 C ATOM 1272 CG ASN A 463 -12.835 -0.247 -0.562 1.00 0.00 C ATOM 1273 OD1 ASN A 463 -12.858 -0.909 0.477 1.00 0.00 O ATOM 1274 ND2 ASN A 463 -13.902 0.391 -1.029 1.00 0.00 N ATOM 0 H ASN A 463 -9.672 -0.479 -2.952 1.00 0.00 H new ATOM 0 HA ASN A 463 -10.235 -1.609 -0.567 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -10.914 0.624 -0.925 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -11.809 0.228 -2.379 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -14.786 0.344 -0.523 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -13.837 0.928 -1.894 1.00 0.00 H new ATOM 1281 N GLY A 464 -11.585 -3.666 -0.867 1.00 0.00 N ATOM 1282 CA GLY A 464 -12.465 -4.818 -0.934 1.00 0.00 C ATOM 1283 C GLY A 464 -12.148 -5.723 -2.109 1.00 0.00 C ATOM 1284 O GLY A 464 -13.041 -6.360 -2.667 1.00 0.00 O ATOM 0 H GLY A 464 -10.820 -3.750 -0.197 1.00 0.00 H new ATOM 0 HA2 GLY A 464 -12.384 -5.388 -0.008 1.00 0.00 H new ATOM 0 HA3 GLY A 464 -13.498 -4.478 -1.009 1.00 0.00 H new ATOM 1288 N PHE A 465 -10.875 -5.778 -2.484 1.00 0.00 N ATOM 1289 CA PHE A 465 -10.443 -6.609 -3.602 1.00 0.00 C ATOM 1290 C PHE A 465 -10.494 -8.088 -3.230 1.00 0.00 C ATOM 1291 O PHE A 465 -9.790 -8.536 -2.326 1.00 0.00 O ATOM 1292 CB PHE A 465 -9.024 -6.228 -4.030 1.00 0.00 C ATOM 1293 CG PHE A 465 -8.476 -7.093 -5.128 1.00 0.00 C ATOM 1294 CD1 PHE A 465 -8.679 -6.758 -6.458 1.00 0.00 C ATOM 1295 CD2 PHE A 465 -7.760 -8.240 -4.832 1.00 0.00 C ATOM 1296 CE1 PHE A 465 -8.177 -7.552 -7.470 1.00 0.00 C ATOM 1297 CE2 PHE A 465 -7.255 -9.040 -5.841 1.00 0.00 C ATOM 1298 CZ PHE A 465 -7.463 -8.694 -7.162 1.00 0.00 C ATOM 0 H PHE A 465 -10.124 -5.257 -2.031 1.00 0.00 H new ATOM 0 HA PHE A 465 -11.124 -6.437 -4.435 1.00 0.00 H new ATOM 0 HB2 PHE A 465 -9.019 -5.189 -4.360 1.00 0.00 H new ATOM 0 HB3 PHE A 465 -8.363 -6.290 -3.165 1.00 0.00 H new ATOM 0 HD1 PHE A 465 -9.236 -5.866 -6.705 1.00 0.00 H new ATOM 0 HD2 PHE A 465 -7.594 -8.514 -3.801 1.00 0.00 H new ATOM 0 HE1 PHE A 465 -8.342 -7.280 -8.502 1.00 0.00 H new ATOM 0 HE2 PHE A 465 -6.699 -9.933 -5.597 1.00 0.00 H new ATOM 0 HZ PHE A 465 -7.068 -9.315 -7.953 1.00 0.00 H new ATOM 1308 N GLN A 466 -11.335 -8.839 -3.934 1.00 0.00 N ATOM 1309 CA GLN A 466 -11.480 -10.268 -3.678 1.00 0.00 C ATOM 1310 C GLN A 466 -10.195 -11.015 -4.021 1.00 0.00 C ATOM 1311 O GLN A 466 -9.862 -11.192 -5.192 1.00 0.00 O ATOM 1312 CB GLN A 466 -12.646 -10.838 -4.487 1.00 0.00 C ATOM 1313 CG GLN A 466 -12.854 -12.330 -4.288 1.00 0.00 C ATOM 1314 CD GLN A 466 -11.817 -13.166 -5.011 1.00 0.00 C ATOM 1315 OE1 GLN A 466 -11.490 -12.905 -6.169 1.00 0.00 O ATOM 1316 NE2 GLN A 466 -11.293 -14.179 -4.330 1.00 0.00 N ATOM 0 H GLN A 466 -11.926 -8.483 -4.685 1.00 0.00 H new ATOM 0 HA GLN A 466 -11.685 -10.402 -2.616 1.00 0.00 H new ATOM 0 HB2 GLN A 466 -13.560 -10.312 -4.211 1.00 0.00 H new ATOM 0 HB3 GLN A 466 -12.473 -10.642 -5.545 1.00 0.00 H new ATOM 0 HG2 GLN A 466 -12.821 -12.559 -3.223 1.00 0.00 H new ATOM 0 HG3 GLN A 466 -13.848 -12.605 -4.642 1.00 0.00 H new ATOM 0 HE21 GLN A 466 -11.593 -14.359 -3.372 1.00 0.00 H new ATOM 0 HE22 GLN A 466 -10.590 -14.777 -4.765 1.00 0.00 H new ATOM 1325 N ILE A 467 -9.477 -11.450 -2.990 1.00 0.00 N ATOM 1326 CA ILE A 467 -8.230 -12.179 -3.182 1.00 0.00 C ATOM 1327 C ILE A 467 -8.333 -13.599 -2.637 1.00 0.00 C ATOM 1328 O ILE A 467 -8.999 -13.843 -1.632 1.00 0.00 O ATOM 1329 CB ILE A 467 -7.049 -11.464 -2.499 1.00 0.00 C ATOM 1330 CG1 ILE A 467 -5.732 -12.158 -2.852 1.00 0.00 C ATOM 1331 CG2 ILE A 467 -7.249 -11.430 -0.992 1.00 0.00 C ATOM 1332 CD1 ILE A 467 -4.507 -11.336 -2.515 1.00 0.00 C ATOM 0 H ILE A 467 -9.738 -11.310 -2.014 1.00 0.00 H new ATOM 0 HA ILE A 467 -8.050 -12.217 -4.256 1.00 0.00 H new ATOM 0 HB ILE A 467 -7.006 -10.437 -2.862 1.00 0.00 H new ATOM 0 HG12 ILE A 467 -5.678 -13.109 -2.322 1.00 0.00 H new ATOM 0 HG13 ILE A 467 -5.725 -12.386 -3.918 1.00 0.00 H new ATOM 0 HG21 ILE A 467 -6.406 -10.921 -0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 467 -8.170 -10.895 -0.759 1.00 0.00 H new ATOM 0 HG23 ILE A 467 -7.315 -12.449 -0.611 1.00 0.00 H new ATOM 0 HD11 ILE A 467 -3.610 -11.890 -2.792 1.00 0.00 H new ATOM 0 HD12 ILE A 467 -4.537 -10.395 -3.065 1.00 0.00 H new ATOM 0 HD13 ILE A 467 -4.490 -11.130 -1.445 1.00 0.00 H new ATOM 1344 N GLY A 468 -7.666 -14.535 -3.307 1.00 0.00 N ATOM 1345 CA GLY A 468 -7.694 -15.919 -2.874 1.00 0.00 C ATOM 1346 C GLY A 468 -9.070 -16.353 -2.407 1.00 0.00 C ATOM 1347 O GLY A 468 -9.912 -16.742 -3.215 1.00 0.00 O ATOM 0 H GLY A 468 -7.107 -14.358 -4.142 1.00 0.00 H new ATOM 0 HA2 GLY A 468 -7.374 -16.560 -3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 468 -6.978 -16.057 -2.064 1.00 0.00 H new ATOM 1351 N MET A 469 -9.296 -16.287 -1.099 1.00 0.00 N ATOM 1352 CA MET A 469 -10.580 -16.677 -0.526 1.00 0.00 C ATOM 1353 C MET A 469 -11.146 -15.563 0.347 1.00 0.00 C ATOM 1354 O MET A 469 -12.299 -15.619 0.775 1.00 0.00 O ATOM 1355 CB MET A 469 -10.427 -17.958 0.296 1.00 0.00 C ATOM 1356 CG MET A 469 -11.743 -18.493 0.838 1.00 0.00 C ATOM 1357 SD MET A 469 -12.139 -17.839 2.471 1.00 0.00 S ATOM 1358 CE MET A 469 -10.714 -18.387 3.409 1.00 0.00 C ATOM 0 H MET A 469 -8.608 -15.968 -0.417 1.00 0.00 H new ATOM 0 HA MET A 469 -11.275 -16.861 -1.345 1.00 0.00 H new ATOM 0 HB2 MET A 469 -9.960 -18.724 -0.323 1.00 0.00 H new ATOM 0 HB3 MET A 469 -9.751 -17.767 1.129 1.00 0.00 H new ATOM 0 HG2 MET A 469 -12.546 -18.241 0.145 1.00 0.00 H new ATOM 0 HG3 MET A 469 -11.695 -19.581 0.888 1.00 0.00 H new ATOM 0 HE1 MET A 469 -11.042 -18.789 4.368 1.00 0.00 H new ATOM 0 HE2 MET A 469 -10.188 -19.162 2.852 1.00 0.00 H new ATOM 0 HE3 MET A 469 -10.044 -17.544 3.579 1.00 0.00 H new ATOM 1368 N LYS A 470 -10.328 -14.549 0.609 1.00 0.00 N ATOM 1369 CA LYS A 470 -10.747 -13.420 1.431 1.00 0.00 C ATOM 1370 C LYS A 470 -10.648 -12.113 0.651 1.00 0.00 C ATOM 1371 O LYS A 470 -10.170 -12.090 -0.483 1.00 0.00 O ATOM 1372 CB LYS A 470 -9.889 -13.337 2.696 1.00 0.00 C ATOM 1373 CG LYS A 470 -8.399 -13.240 2.415 1.00 0.00 C ATOM 1374 CD LYS A 470 -7.657 -12.579 3.564 1.00 0.00 C ATOM 1375 CE LYS A 470 -7.373 -13.565 4.686 1.00 0.00 C ATOM 1376 NZ LYS A 470 -8.507 -13.652 5.648 1.00 0.00 N ATOM 0 H LYS A 470 -9.370 -14.486 0.264 1.00 0.00 H new ATOM 0 HA LYS A 470 -11.788 -13.576 1.715 1.00 0.00 H new ATOM 0 HB2 LYS A 470 -10.198 -12.469 3.278 1.00 0.00 H new ATOM 0 HB3 LYS A 470 -10.078 -14.217 3.311 1.00 0.00 H new ATOM 0 HG2 LYS A 470 -7.994 -14.238 2.245 1.00 0.00 H new ATOM 0 HG3 LYS A 470 -8.237 -12.670 1.500 1.00 0.00 H new ATOM 0 HD2 LYS A 470 -6.719 -12.161 3.200 1.00 0.00 H new ATOM 0 HD3 LYS A 470 -8.248 -11.748 3.950 1.00 0.00 H new ATOM 0 HE2 LYS A 470 -7.179 -14.551 4.263 1.00 0.00 H new ATOM 0 HE3 LYS A 470 -6.470 -13.262 5.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 470 -8.179 -13.379 6.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 470 -9.268 -13.010 5.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 470 -8.867 -14.628 5.673 1.00 0.00 H new ATOM 1390 N ARG A 471 -11.103 -11.026 1.266 1.00 0.00 N ATOM 1391 CA ARG A 471 -11.065 -9.715 0.629 1.00 0.00 C ATOM 1392 C ARG A 471 -9.952 -8.855 1.219 1.00 0.00 C ATOM 1393 O ARG A 471 -9.376 -9.191 2.254 1.00 0.00 O ATOM 1394 CB ARG A 471 -12.412 -9.007 0.791 1.00 0.00 C ATOM 1395 CG ARG A 471 -13.522 -9.605 -0.059 1.00 0.00 C ATOM 1396 CD ARG A 471 -14.689 -8.643 -0.208 1.00 0.00 C ATOM 1397 NE ARG A 471 -15.960 -9.344 -0.366 1.00 0.00 N ATOM 1398 CZ ARG A 471 -17.142 -8.740 -0.335 1.00 0.00 C ATOM 1399 NH1 ARG A 471 -17.215 -7.428 -0.153 1.00 0.00 N ATOM 1400 NH2 ARG A 471 -18.255 -9.446 -0.486 1.00 0.00 N ATOM 0 H ARG A 471 -11.502 -11.027 2.205 1.00 0.00 H new ATOM 0 HA ARG A 471 -10.863 -9.860 -0.432 1.00 0.00 H new ATOM 0 HB2 ARG A 471 -12.709 -9.045 1.839 1.00 0.00 H new ATOM 0 HB3 ARG A 471 -12.293 -7.955 0.531 1.00 0.00 H new ATOM 0 HG2 ARG A 471 -13.131 -9.859 -1.044 1.00 0.00 H new ATOM 0 HG3 ARG A 471 -13.870 -10.533 0.395 1.00 0.00 H new ATOM 0 HD2 ARG A 471 -14.739 -7.995 0.667 1.00 0.00 H new ATOM 0 HD3 ARG A 471 -14.520 -8.000 -1.071 1.00 0.00 H new ATOM 0 HE ARG A 471 -15.939 -10.354 -0.508 1.00 0.00 H new ATOM 0 HH11 ARG A 471 -16.362 -6.881 -0.037 1.00 0.00 H new ATOM 0 HH12 ARG A 471 -18.124 -6.966 -0.130 1.00 0.00 H new ATOM 0 HH21 ARG A 471 -18.204 -10.455 -0.626 1.00 0.00 H new ATOM 0 HH22 ARG A 471 -19.162 -8.980 -0.462 1.00 0.00 H new ATOM 1414 N LEU A 472 -9.654 -7.744 0.554 1.00 0.00 N ATOM 1415 CA LEU A 472 -8.609 -6.835 1.012 1.00 0.00 C ATOM 1416 C LEU A 472 -9.207 -5.518 1.497 1.00 0.00 C ATOM 1417 O LEU A 472 -10.299 -5.130 1.084 1.00 0.00 O ATOM 1418 CB LEU A 472 -7.607 -6.571 -0.113 1.00 0.00 C ATOM 1419 CG LEU A 472 -6.656 -7.719 -0.449 1.00 0.00 C ATOM 1420 CD1 LEU A 472 -5.785 -7.359 -1.643 1.00 0.00 C ATOM 1421 CD2 LEU A 472 -5.796 -8.070 0.755 1.00 0.00 C ATOM 0 H LEU A 472 -10.121 -7.451 -0.304 1.00 0.00 H new ATOM 0 HA LEU A 472 -8.091 -7.306 1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 472 -8.163 -6.311 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 472 -7.011 -5.699 0.156 1.00 0.00 H new ATOM 0 HG LEU A 472 -7.252 -8.593 -0.711 1.00 0.00 H new ATOM 0 HD11 LEU A 472 -5.114 -8.188 -1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 472 -6.418 -7.160 -2.508 1.00 0.00 H new ATOM 0 HD13 LEU A 472 -5.198 -6.471 -1.410 1.00 0.00 H new ATOM 0 HD21 LEU A 472 -5.125 -8.889 0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 472 -5.209 -7.200 1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 472 -6.436 -8.373 1.584 1.00 0.00 H new ATOM 1433 N LYS A 473 -8.481 -4.833 2.375 1.00 0.00 N ATOM 1434 CA LYS A 473 -8.937 -3.557 2.915 1.00 0.00 C ATOM 1435 C LYS A 473 -7.823 -2.518 2.865 1.00 0.00 C ATOM 1436 O LYS A 473 -6.892 -2.552 3.669 1.00 0.00 O ATOM 1437 CB LYS A 473 -9.421 -3.734 4.356 1.00 0.00 C ATOM 1438 CG LYS A 473 -9.615 -2.422 5.096 1.00 0.00 C ATOM 1439 CD LYS A 473 -10.409 -2.617 6.377 1.00 0.00 C ATOM 1440 CE LYS A 473 -9.501 -2.935 7.555 1.00 0.00 C ATOM 1441 NZ LYS A 473 -10.278 -3.328 8.763 1.00 0.00 N ATOM 0 H LYS A 473 -7.575 -5.140 2.728 1.00 0.00 H new ATOM 0 HA LYS A 473 -9.766 -3.205 2.301 1.00 0.00 H new ATOM 0 HB2 LYS A 473 -10.364 -4.281 4.349 1.00 0.00 H new ATOM 0 HB3 LYS A 473 -8.701 -4.346 4.900 1.00 0.00 H new ATOM 0 HG2 LYS A 473 -8.643 -1.989 5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 473 -10.132 -1.712 4.451 1.00 0.00 H new ATOM 0 HD2 LYS A 473 -10.982 -1.715 6.592 1.00 0.00 H new ATOM 0 HD3 LYS A 473 -11.127 -3.426 6.241 1.00 0.00 H new ATOM 0 HE2 LYS A 473 -8.821 -3.742 7.282 1.00 0.00 H new ATOM 0 HE3 LYS A 473 -8.887 -2.065 7.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 -9.624 -3.537 9.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 -10.909 -2.548 9.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 -10.845 -4.174 8.551 1.00 0.00 H new ATOM 1455 N VAL A 474 -7.925 -1.592 1.917 1.00 0.00 N ATOM 1456 CA VAL A 474 -6.928 -0.539 1.766 1.00 0.00 C ATOM 1457 C VAL A 474 -7.493 0.817 2.169 1.00 0.00 C ATOM 1458 O VAL A 474 -8.634 1.146 1.844 1.00 0.00 O ATOM 1459 CB VAL A 474 -6.414 -0.458 0.314 1.00 0.00 C ATOM 1460 CG1 VAL A 474 -5.133 0.359 0.246 1.00 0.00 C ATOM 1461 CG2 VAL A 474 -6.197 -1.853 -0.252 1.00 0.00 C ATOM 0 H VAL A 474 -8.688 -1.550 1.242 1.00 0.00 H new ATOM 0 HA VAL A 474 -6.098 -0.793 2.425 1.00 0.00 H new ATOM 0 HB VAL A 474 -7.168 0.043 -0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 474 -4.785 0.405 -0.786 1.00 0.00 H new ATOM 0 HG12 VAL A 474 -5.325 1.368 0.610 1.00 0.00 H new ATOM 0 HG13 VAL A 474 -4.369 -0.110 0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 474 -5.834 -1.777 -1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 474 -5.462 -2.382 0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 474 -7.139 -2.401 -0.240 1.00 0.00 H new ATOM 1471 N GLN A 475 -6.689 1.601 2.879 1.00 0.00 N ATOM 1472 CA GLN A 475 -7.109 2.923 3.328 1.00 0.00 C ATOM 1473 C GLN A 475 -5.903 3.817 3.597 1.00 0.00 C ATOM 1474 O GLN A 475 -4.895 3.368 4.145 1.00 0.00 O ATOM 1475 CB GLN A 475 -7.966 2.807 4.590 1.00 0.00 C ATOM 1476 CG GLN A 475 -8.984 3.926 4.738 1.00 0.00 C ATOM 1477 CD GLN A 475 -9.673 3.912 6.089 1.00 0.00 C ATOM 1478 OE1 GLN A 475 -10.171 2.878 6.534 1.00 0.00 O ATOM 1479 NE2 GLN A 475 -9.705 5.064 6.749 1.00 0.00 N ATOM 0 H GLN A 475 -5.742 1.343 3.156 1.00 0.00 H new ATOM 0 HA GLN A 475 -7.703 3.377 2.534 1.00 0.00 H new ATOM 0 HB2 GLN A 475 -8.489 1.851 4.578 1.00 0.00 H new ATOM 0 HB3 GLN A 475 -7.314 2.802 5.463 1.00 0.00 H new ATOM 0 HG2 GLN A 475 -8.487 4.886 4.598 1.00 0.00 H new ATOM 0 HG3 GLN A 475 -9.733 3.837 3.951 1.00 0.00 H new ATOM 0 HE21 GLN A 475 -9.279 5.897 6.342 1.00 0.00 H new ATOM 0 HE22 GLN A 475 -10.155 5.116 7.663 1.00 0.00 H new ATOM 1488 N LEU A 476 -6.013 5.081 3.209 1.00 0.00 N ATOM 1489 CA LEU A 476 -4.929 6.039 3.408 1.00 0.00 C ATOM 1490 C LEU A 476 -5.005 6.664 4.798 1.00 0.00 C ATOM 1491 O LEU A 476 -6.039 7.201 5.194 1.00 0.00 O ATOM 1492 CB LEU A 476 -4.987 7.134 2.341 1.00 0.00 C ATOM 1493 CG LEU A 476 -6.005 8.250 2.578 1.00 0.00 C ATOM 1494 CD1 LEU A 476 -5.480 9.242 3.604 1.00 0.00 C ATOM 1495 CD2 LEU A 476 -6.337 8.955 1.271 1.00 0.00 C ATOM 0 H LEU A 476 -6.840 5.468 2.755 1.00 0.00 H new ATOM 0 HA LEU A 476 -3.983 5.504 3.320 1.00 0.00 H new ATOM 0 HB2 LEU A 476 -3.998 7.584 2.257 1.00 0.00 H new ATOM 0 HB3 LEU A 476 -5.207 6.667 1.381 1.00 0.00 H new ATOM 0 HG LEU A 476 -6.920 7.805 2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 476 -6.218 10.029 3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 476 -5.294 8.727 4.546 1.00 0.00 H new ATOM 0 HD13 LEU A 476 -4.551 9.682 3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 476 -7.063 9.746 1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 476 -5.429 9.388 0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 476 -6.757 8.237 0.567 1.00 0.00 H new ATOM 1507 N LYS A 477 -3.900 6.592 5.534 1.00 0.00 N ATOM 1508 CA LYS A 477 -3.838 7.153 6.878 1.00 0.00 C ATOM 1509 C LYS A 477 -4.689 8.416 6.981 1.00 0.00 C ATOM 1510 O LYS A 477 -4.625 9.290 6.116 1.00 0.00 O ATOM 1511 CB LYS A 477 -2.389 7.470 7.255 1.00 0.00 C ATOM 1512 CG LYS A 477 -2.132 7.451 8.752 1.00 0.00 C ATOM 1513 CD LYS A 477 -1.725 6.068 9.231 1.00 0.00 C ATOM 1514 CE LYS A 477 -1.378 6.072 10.712 1.00 0.00 C ATOM 1515 NZ LYS A 477 -0.145 6.858 10.992 1.00 0.00 N ATOM 0 H LYS A 477 -3.035 6.150 5.221 1.00 0.00 H new ATOM 0 HA LYS A 477 -4.234 6.412 7.572 1.00 0.00 H new ATOM 0 HB2 LYS A 477 -1.731 6.748 6.773 1.00 0.00 H new ATOM 0 HB3 LYS A 477 -2.127 8.452 6.862 1.00 0.00 H new ATOM 0 HG2 LYS A 477 -1.347 8.167 8.996 1.00 0.00 H new ATOM 0 HG3 LYS A 477 -3.030 7.770 9.280 1.00 0.00 H new ATOM 0 HD2 LYS A 477 -2.537 5.365 9.048 1.00 0.00 H new ATOM 0 HD3 LYS A 477 -0.867 5.720 8.656 1.00 0.00 H new ATOM 0 HE2 LYS A 477 -2.211 6.489 11.279 1.00 0.00 H new ATOM 0 HE3 LYS A 477 -1.240 5.047 11.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 477 0.181 6.659 11.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 477 0.598 6.592 10.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 477 -0.351 7.873 10.898 1.00 0.00 H new