USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 399 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 40 TYR OH : rot 26:sc= 0.0013 USER MOD Set 1.2: A 77 CYS SG : rot 47:sc= -2.23! USER MOD Single : A 22 LYS NZ :NH3+ -125:sc= -2.33 (180deg=-4.37!) USER MOD Single : A 25 CYS SG : rot 180:sc= -3.74! USER MOD Single : A 35 GLN : amide:sc= -13.2! C(o=-13!,f=-21!) USER MOD Single : A 36 TYR OH : rot 129:sc= -3.27! USER MOD Single : A 38 GLN :FLIP amide:sc= -0.836 F(o=-4.8!,f=-0.84) USER MOD Single : A 43 SER OG : rot 8:sc= -1.58! USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.19 F(o=-2.5!,f=-0.19) USER MOD Single : A 53 LYS NZ :NH3+ -110:sc= -4.32 (180deg=-6.68!) USER MOD Single : A 68 CYS SG : rot 45:sc= 0.397 USER MOD Single : A 72 ASN : amide:sc= -0.348 K(o=-0.35,f=-1.4!) USER MOD Single : A 73 THR OG1 : rot -133:sc= 0.567 USER MOD Single : A 75 ASN : amide:sc= -5.03! C(o=-5!,f=-8.4!) USER MOD Single : A 76 LYS NZ :NH3+ -113:sc= -1.4 (180deg=-3.53!) USER MOD ----------------------------------------------------------------- ATOM 293 N GLU A 20 3.942 8.616 -2.162 1.00 1.00 N ATOM 294 CA GLU A 20 2.982 7.578 -1.808 1.00 1.00 C ATOM 295 C GLU A 20 1.847 7.539 -2.824 1.00 1.00 C ATOM 296 O GLU A 20 1.242 6.493 -3.053 1.00 1.00 O ATOM 297 CB GLU A 20 2.415 7.839 -0.411 1.00 1.00 C ATOM 298 CG GLU A 20 3.413 7.357 0.644 1.00 1.00 C ATOM 299 CD GLU A 20 2.855 7.608 2.041 1.00 1.00 C ATOM 300 OE1 GLU A 20 1.692 7.307 2.257 1.00 1.00 O ATOM 301 OE2 GLU A 20 3.599 8.096 2.875 1.00 1.00 O ATOM 0 HA GLU A 20 3.495 6.616 -1.812 1.00 1.00 H new ATOM 0 HB2 GLU A 20 2.217 8.903 -0.280 1.00 1.00 H new ATOM 0 HB3 GLU A 20 1.464 7.321 -0.291 1.00 1.00 H new ATOM 0 HG2 GLU A 20 3.613 6.294 0.509 1.00 1.00 H new ATOM 0 HG3 GLU A 20 4.363 7.878 0.523 1.00 1.00 H new ATOM 308 N ALA A 21 1.563 8.689 -3.429 1.00 1.00 N ATOM 309 CA ALA A 21 0.498 8.773 -4.420 1.00 1.00 C ATOM 310 C ALA A 21 0.867 7.980 -5.668 1.00 1.00 C ATOM 311 O ALA A 21 0.225 6.985 -5.999 1.00 1.00 O ATOM 312 CB ALA A 21 0.244 10.233 -4.803 1.00 1.00 C ATOM 0 H ALA A 21 2.051 9.567 -3.252 1.00 1.00 H new ATOM 0 HA ALA A 21 -0.407 8.351 -3.984 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -0.554 10.281 -5.544 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -0.049 10.796 -3.917 1.00 1.00 H new ATOM 0 HB3 ALA A 21 1.154 10.663 -5.221 1.00 1.00 H new ATOM 318 N LYS A 22 1.904 8.428 -6.363 1.00 1.00 N ATOM 319 CA LYS A 22 2.344 7.749 -7.573 1.00 1.00 C ATOM 320 C LYS A 22 2.499 6.256 -7.324 1.00 1.00 C ATOM 321 O LYS A 22 2.138 5.443 -8.169 1.00 1.00 O ATOM 322 CB LYS A 22 3.675 8.331 -8.049 1.00 1.00 C ATOM 323 CG LYS A 22 4.138 7.588 -9.303 1.00 1.00 C ATOM 324 CD LYS A 22 5.276 6.631 -8.940 1.00 1.00 C ATOM 325 CE LYS A 22 5.566 5.710 -10.126 1.00 1.00 C ATOM 326 NZ LYS A 22 4.910 4.391 -9.901 1.00 1.00 N ATOM 0 H LYS A 22 2.452 9.251 -6.112 1.00 1.00 H new ATOM 0 HA LYS A 22 1.588 7.900 -8.344 1.00 1.00 H new ATOM 0 HB2 LYS A 22 3.563 9.394 -8.264 1.00 1.00 H new ATOM 0 HB3 LYS A 22 4.425 8.242 -7.263 1.00 1.00 H new ATOM 0 HG2 LYS A 22 3.307 7.033 -9.737 1.00 1.00 H new ATOM 0 HG3 LYS A 22 4.474 8.300 -10.057 1.00 1.00 H new ATOM 0 HD2 LYS A 22 6.170 7.196 -8.677 1.00 1.00 H new ATOM 0 HD3 LYS A 22 5.004 6.040 -8.065 1.00 1.00 H new ATOM 0 HE2 LYS A 22 5.197 6.159 -11.048 1.00 1.00 H new ATOM 0 HE3 LYS A 22 6.642 5.578 -10.244 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 5.619 3.634 -9.972 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 4.480 4.374 -8.954 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 4.173 4.243 -10.619 1.00 1.00 H new ATOM 340 N GLU A 23 3.027 5.898 -6.158 1.00 1.00 N ATOM 341 CA GLU A 23 3.211 4.494 -5.820 1.00 1.00 C ATOM 342 C GLU A 23 1.866 3.857 -5.516 1.00 1.00 C ATOM 343 O GLU A 23 1.512 2.824 -6.085 1.00 1.00 O ATOM 344 CB GLU A 23 4.131 4.359 -4.605 1.00 1.00 C ATOM 345 CG GLU A 23 5.583 4.253 -5.074 1.00 1.00 C ATOM 346 CD GLU A 23 5.841 2.869 -5.660 1.00 1.00 C ATOM 347 OE1 GLU A 23 6.108 1.961 -4.889 1.00 1.00 O ATOM 348 OE2 GLU A 23 5.770 2.736 -6.870 1.00 1.00 O ATOM 0 H GLU A 23 3.332 6.554 -5.439 1.00 1.00 H new ATOM 0 HA GLU A 23 3.668 3.985 -6.669 1.00 1.00 H new ATOM 0 HB2 GLU A 23 4.012 5.220 -3.948 1.00 1.00 H new ATOM 0 HB3 GLU A 23 3.859 3.476 -4.026 1.00 1.00 H new ATOM 0 HG2 GLU A 23 5.789 5.018 -5.822 1.00 1.00 H new ATOM 0 HG3 GLU A 23 6.258 4.435 -4.238 1.00 1.00 H new ATOM 355 N ALA A 24 1.125 4.487 -4.611 1.00 1.00 N ATOM 356 CA ALA A 24 -0.184 3.989 -4.220 1.00 1.00 C ATOM 357 C ALA A 24 -0.927 3.421 -5.424 1.00 1.00 C ATOM 358 O ALA A 24 -1.463 2.313 -5.365 1.00 1.00 O ATOM 359 CB ALA A 24 -1.009 5.123 -3.605 1.00 1.00 C ATOM 0 H ALA A 24 1.410 5.343 -4.136 1.00 1.00 H new ATOM 0 HA ALA A 24 -0.043 3.195 -3.486 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -1.989 4.744 -3.314 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -0.495 5.512 -2.726 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -1.132 5.922 -4.336 1.00 1.00 H new ATOM 365 N CYS A 25 -0.960 4.183 -6.514 1.00 1.00 N ATOM 366 CA CYS A 25 -1.646 3.736 -7.721 1.00 1.00 C ATOM 367 C CYS A 25 -0.818 2.691 -8.464 1.00 1.00 C ATOM 368 O CYS A 25 -1.368 1.757 -9.049 1.00 1.00 O ATOM 369 CB CYS A 25 -1.907 4.930 -8.640 1.00 1.00 C ATOM 370 SG CYS A 25 -0.878 4.788 -10.123 1.00 1.00 S ATOM 0 H CYS A 25 -0.525 5.103 -6.586 1.00 1.00 H new ATOM 0 HA CYS A 25 -2.593 3.283 -7.428 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -2.960 4.965 -8.918 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -1.684 5.860 -8.117 1.00 1.00 H new ATOM 0 HG CYS A 25 -1.102 5.802 -10.905 1.00 1.00 H new ATOM 376 N ASP A 26 0.503 2.844 -8.435 1.00 1.00 N ATOM 377 CA ASP A 26 1.381 1.891 -9.112 1.00 1.00 C ATOM 378 C ASP A 26 1.466 0.592 -8.317 1.00 1.00 C ATOM 379 O ASP A 26 1.920 -0.431 -8.830 1.00 1.00 O ATOM 380 CB ASP A 26 2.782 2.480 -9.276 1.00 1.00 C ATOM 381 CG ASP A 26 3.440 1.934 -10.538 1.00 1.00 C ATOM 382 OD1 ASP A 26 3.915 0.810 -10.501 1.00 1.00 O ATOM 383 OD2 ASP A 26 3.476 2.658 -11.519 1.00 1.00 O ATOM 0 H ASP A 26 0.985 3.606 -7.958 1.00 1.00 H new ATOM 0 HA ASP A 26 0.963 1.683 -10.097 1.00 1.00 H new ATOM 0 HB2 ASP A 26 2.723 3.567 -9.329 1.00 1.00 H new ATOM 0 HB3 ASP A 26 3.391 2.236 -8.405 1.00 1.00 H new ATOM 388 N TRP A 27 1.024 0.641 -7.065 1.00 1.00 N ATOM 389 CA TRP A 27 1.052 -0.541 -6.213 1.00 1.00 C ATOM 390 C TRP A 27 -0.277 -1.285 -6.295 1.00 1.00 C ATOM 391 O TRP A 27 -0.307 -2.512 -6.396 1.00 1.00 O ATOM 392 CB TRP A 27 1.328 -0.137 -4.762 1.00 1.00 C ATOM 393 CG TRP A 27 1.414 -1.367 -3.918 1.00 1.00 C ATOM 394 CD1 TRP A 27 2.552 -2.040 -3.633 1.00 1.00 C ATOM 395 CD2 TRP A 27 0.336 -2.085 -3.250 1.00 1.00 C ATOM 396 NE1 TRP A 27 2.242 -3.125 -2.834 1.00 1.00 N ATOM 397 CE2 TRP A 27 0.889 -3.195 -2.569 1.00 1.00 C ATOM 398 CE3 TRP A 27 -1.054 -1.883 -3.169 1.00 1.00 C ATOM 399 CZ2 TRP A 27 0.092 -4.076 -1.835 1.00 1.00 C ATOM 400 CZ3 TRP A 27 -1.859 -2.765 -2.430 1.00 1.00 C ATOM 401 CH2 TRP A 27 -1.287 -3.859 -1.765 1.00 1.00 C ATOM 0 H TRP A 27 0.646 1.478 -6.621 1.00 1.00 H new ATOM 0 HA TRP A 27 1.848 -1.199 -6.560 1.00 1.00 H new ATOM 0 HB2 TRP A 27 2.259 0.427 -4.700 1.00 1.00 H new ATOM 0 HB3 TRP A 27 0.535 0.515 -4.396 1.00 1.00 H new ATOM 0 HD1 TRP A 27 3.541 -1.773 -3.974 1.00 1.00 H new ATOM 0 HE1 TRP A 27 2.929 -3.792 -2.483 1.00 1.00 H new ATOM 0 HE3 TRP A 27 -1.505 -1.044 -3.678 1.00 1.00 H new ATOM 0 HZ2 TRP A 27 0.537 -4.918 -1.326 1.00 1.00 H new ATOM 0 HZ3 TRP A 27 -2.925 -2.600 -2.374 1.00 1.00 H new ATOM 0 HH2 TRP A 27 -1.912 -4.534 -1.199 1.00 1.00 H new ATOM 412 N LEU A 28 -1.374 -0.534 -6.252 1.00 1.00 N ATOM 413 CA LEU A 28 -2.702 -1.134 -6.329 1.00 1.00 C ATOM 414 C LEU A 28 -2.809 -2.039 -7.551 1.00 1.00 C ATOM 415 O LEU A 28 -3.493 -3.061 -7.521 1.00 1.00 O ATOM 416 CB LEU A 28 -3.764 -0.035 -6.405 1.00 1.00 C ATOM 417 CG LEU A 28 -4.156 0.400 -4.990 1.00 1.00 C ATOM 418 CD1 LEU A 28 -4.604 1.863 -5.007 1.00 1.00 C ATOM 419 CD2 LEU A 28 -5.305 -0.478 -4.488 1.00 1.00 C ATOM 0 H LEU A 28 -1.370 0.482 -6.165 1.00 1.00 H new ATOM 0 HA LEU A 28 -2.865 -1.734 -5.434 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -3.380 0.818 -6.965 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -4.641 -0.399 -6.940 1.00 1.00 H new ATOM 0 HG LEU A 28 -3.297 0.293 -4.328 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -4.882 2.170 -3.999 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -3.787 2.490 -5.365 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -5.462 1.973 -5.670 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -5.585 -0.170 -3.481 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -6.162 -0.370 -5.152 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -4.987 -1.520 -4.473 1.00 1.00 H new ATOM 431 N ARG A 29 -2.124 -1.656 -8.623 1.00 1.00 N ATOM 432 CA ARG A 29 -2.144 -2.444 -9.851 1.00 1.00 C ATOM 433 C ARG A 29 -1.197 -3.632 -9.733 1.00 1.00 C ATOM 434 O ARG A 29 -1.421 -4.682 -10.336 1.00 1.00 O ATOM 435 CB ARG A 29 -1.730 -1.574 -11.041 1.00 1.00 C ATOM 436 CG ARG A 29 -0.356 -0.960 -10.771 1.00 1.00 C ATOM 437 CD ARG A 29 0.032 -0.046 -11.934 1.00 1.00 C ATOM 438 NE ARG A 29 -0.711 1.207 -11.858 1.00 1.00 N ATOM 439 CZ ARG A 29 -0.347 2.267 -12.574 1.00 1.00 C ATOM 440 NH1 ARG A 29 0.691 2.195 -13.361 1.00 1.00 N ATOM 441 NH2 ARG A 29 -1.027 3.377 -12.488 1.00 1.00 N ATOM 0 H ARG A 29 -1.553 -0.812 -8.668 1.00 1.00 H new ATOM 0 HA ARG A 29 -3.158 -2.812 -10.010 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -1.699 -2.174 -11.950 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -2.466 -0.787 -11.203 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -0.376 -0.393 -9.840 1.00 1.00 H new ATOM 0 HG3 ARG A 29 0.388 -1.747 -10.649 1.00 1.00 H new ATOM 0 HD2 ARG A 29 1.103 0.155 -11.907 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -0.175 -0.543 -12.882 1.00 1.00 H new ATOM 0 HE ARG A 29 -1.524 1.271 -11.245 1.00 1.00 H new ATOM 0 HH11 ARG A 29 1.222 1.327 -13.427 1.00 1.00 H new ATOM 0 HH12 ARG A 29 0.971 3.007 -13.911 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -1.838 3.432 -11.872 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -0.748 4.190 -13.037 1.00 1.00 H new ATOM 455 N ALA A 30 -0.138 -3.460 -8.948 1.00 1.00 N ATOM 456 CA ALA A 30 0.838 -4.525 -8.753 1.00 1.00 C ATOM 457 C ALA A 30 0.344 -5.509 -7.697 1.00 1.00 C ATOM 458 O ALA A 30 0.734 -6.677 -7.692 1.00 1.00 O ATOM 459 CB ALA A 30 2.177 -3.933 -8.314 1.00 1.00 C ATOM 0 H ALA A 30 0.065 -2.599 -8.440 1.00 1.00 H new ATOM 0 HA ALA A 30 0.969 -5.053 -9.697 1.00 1.00 H new ATOM 0 HB1 ALA A 30 2.900 -4.736 -8.171 1.00 1.00 H new ATOM 0 HB2 ALA A 30 2.541 -3.249 -9.081 1.00 1.00 H new ATOM 0 HB3 ALA A 30 2.046 -3.391 -7.377 1.00 1.00 H new ATOM 465 N ALA A 31 -0.518 -5.029 -6.808 1.00 1.00 N ATOM 466 CA ALA A 31 -1.063 -5.873 -5.752 1.00 1.00 C ATOM 467 C ALA A 31 -2.188 -6.747 -6.294 1.00 1.00 C ATOM 468 O ALA A 31 -2.603 -7.711 -5.651 1.00 1.00 O ATOM 469 CB ALA A 31 -1.594 -5.003 -4.610 1.00 1.00 C ATOM 0 H ALA A 31 -0.853 -4.066 -6.797 1.00 1.00 H new ATOM 0 HA ALA A 31 -0.266 -6.516 -5.378 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -2.000 -5.641 -3.825 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -0.782 -4.400 -4.204 1.00 1.00 H new ATOM 0 HB3 ALA A 31 -2.379 -4.348 -4.987 1.00 1.00 H new ATOM 475 N GLY A 32 -2.676 -6.403 -7.482 1.00 1.00 N ATOM 476 CA GLY A 32 -3.756 -7.161 -8.108 1.00 1.00 C ATOM 477 C GLY A 32 -5.051 -6.357 -8.116 1.00 1.00 C ATOM 478 O GLY A 32 -6.140 -6.916 -7.997 1.00 1.00 O ATOM 0 H GLY A 32 -2.343 -5.609 -8.029 1.00 1.00 H new ATOM 0 HA2 GLY A 32 -3.478 -7.421 -9.129 1.00 1.00 H new ATOM 0 HA3 GLY A 32 -3.908 -8.097 -7.571 1.00 1.00 H new ATOM 482 N PHE A 33 -4.925 -5.041 -8.259 1.00 1.00 N ATOM 483 CA PHE A 33 -6.095 -4.172 -8.283 1.00 1.00 C ATOM 484 C PHE A 33 -5.834 -2.945 -9.151 1.00 1.00 C ATOM 485 O PHE A 33 -5.732 -1.826 -8.649 1.00 1.00 O ATOM 486 CB PHE A 33 -6.445 -3.727 -6.861 1.00 1.00 C ATOM 487 CG PHE A 33 -7.085 -4.876 -6.122 1.00 1.00 C ATOM 488 CD1 PHE A 33 -8.379 -5.291 -6.459 1.00 1.00 C ATOM 489 CD2 PHE A 33 -6.384 -5.530 -5.100 1.00 1.00 C ATOM 490 CE1 PHE A 33 -8.974 -6.358 -5.775 1.00 1.00 C ATOM 491 CE2 PHE A 33 -6.978 -6.597 -4.416 1.00 1.00 C ATOM 492 CZ PHE A 33 -8.272 -7.011 -4.754 1.00 1.00 C ATOM 0 H PHE A 33 -4.033 -4.557 -8.359 1.00 1.00 H new ATOM 0 HA PHE A 33 -6.930 -4.731 -8.705 1.00 1.00 H new ATOM 0 HB2 PHE A 33 -5.546 -3.399 -6.339 1.00 1.00 H new ATOM 0 HB3 PHE A 33 -7.125 -2.875 -6.891 1.00 1.00 H new ATOM 0 HD1 PHE A 33 -8.919 -4.788 -7.247 1.00 1.00 H new ATOM 0 HD2 PHE A 33 -5.386 -5.211 -4.840 1.00 1.00 H new ATOM 0 HE1 PHE A 33 -9.973 -6.677 -6.034 1.00 1.00 H new ATOM 0 HE2 PHE A 33 -6.438 -7.101 -3.628 1.00 1.00 H new ATOM 0 HZ PHE A 33 -8.730 -7.835 -4.227 1.00 1.00 H new ATOM 502 N PRO A 34 -5.723 -3.139 -10.437 1.00 1.00 N ATOM 503 CA PRO A 34 -5.465 -2.035 -11.400 1.00 1.00 C ATOM 504 C PRO A 34 -6.730 -1.252 -11.740 1.00 1.00 C ATOM 505 O PRO A 34 -6.688 -0.292 -12.509 1.00 1.00 O ATOM 506 CB PRO A 34 -4.922 -2.758 -12.629 1.00 1.00 C ATOM 507 CG PRO A 34 -5.520 -4.127 -12.585 1.00 1.00 C ATOM 508 CD PRO A 34 -5.830 -4.439 -11.117 1.00 1.00 C ATOM 0 HA PRO A 34 -4.780 -1.290 -10.996 1.00 1.00 H new ATOM 0 HB2 PRO A 34 -5.201 -2.238 -13.545 1.00 1.00 H new ATOM 0 HB3 PRO A 34 -3.833 -2.805 -12.607 1.00 1.00 H new ATOM 0 HG2 PRO A 34 -6.427 -4.170 -13.187 1.00 1.00 H new ATOM 0 HG3 PRO A 34 -4.829 -4.862 -12.997 1.00 1.00 H new ATOM 0 HD2 PRO A 34 -6.826 -4.866 -11.003 1.00 1.00 H new ATOM 0 HD3 PRO A 34 -5.125 -5.162 -10.707 1.00 1.00 H new ATOM 516 N GLN A 35 -7.854 -1.667 -11.164 1.00 1.00 N ATOM 517 CA GLN A 35 -9.121 -0.992 -11.419 1.00 1.00 C ATOM 518 C GLN A 35 -9.314 0.169 -10.448 1.00 1.00 C ATOM 519 O GLN A 35 -10.224 0.982 -10.614 1.00 1.00 O ATOM 520 CB GLN A 35 -10.285 -1.981 -11.296 1.00 1.00 C ATOM 521 CG GLN A 35 -10.678 -2.152 -9.827 1.00 1.00 C ATOM 522 CD GLN A 35 -9.429 -2.296 -8.966 1.00 1.00 C ATOM 523 OE1 GLN A 35 -8.578 -3.140 -9.243 1.00 1.00 O ATOM 524 NE2 GLN A 35 -9.270 -1.522 -7.927 1.00 1.00 N ATOM 0 H GLN A 35 -7.914 -2.459 -10.524 1.00 1.00 H new ATOM 0 HA GLN A 35 -9.101 -0.596 -12.434 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -11.140 -1.622 -11.869 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -10.000 -2.944 -11.719 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -11.261 -1.293 -9.496 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -11.312 -3.031 -9.712 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -9.977 -0.823 -7.699 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -8.439 -1.616 -7.343 1.00 1.00 H new ATOM 533 N TYR A 36 -8.451 0.248 -9.438 1.00 1.00 N ATOM 534 CA TYR A 36 -8.540 1.324 -8.457 1.00 1.00 C ATOM 535 C TYR A 36 -7.842 2.570 -8.985 1.00 1.00 C ATOM 536 O TYR A 36 -8.486 3.581 -9.252 1.00 1.00 O ATOM 537 CB TYR A 36 -7.894 0.898 -7.134 1.00 1.00 C ATOM 538 CG TYR A 36 -8.951 0.775 -6.055 1.00 1.00 C ATOM 539 CD1 TYR A 36 -9.769 1.870 -5.748 1.00 1.00 C ATOM 540 CD2 TYR A 36 -9.111 -0.435 -5.369 1.00 1.00 C ATOM 541 CE1 TYR A 36 -10.747 1.754 -4.754 1.00 1.00 C ATOM 542 CE2 TYR A 36 -10.091 -0.549 -4.375 1.00 1.00 C ATOM 543 CZ TYR A 36 -10.909 0.545 -4.066 1.00 1.00 C ATOM 544 OH TYR A 36 -11.872 0.431 -3.090 1.00 1.00 O ATOM 0 H TYR A 36 -7.690 -0.413 -9.279 1.00 1.00 H new ATOM 0 HA TYR A 36 -9.593 1.545 -8.282 1.00 1.00 H new ATOM 0 HB2 TYR A 36 -7.380 -0.055 -7.261 1.00 1.00 H new ATOM 0 HB3 TYR A 36 -7.142 1.628 -6.836 1.00 1.00 H new ATOM 0 HD1 TYR A 36 -9.645 2.803 -6.278 1.00 1.00 H new ATOM 0 HD2 TYR A 36 -8.480 -1.279 -5.606 1.00 1.00 H new ATOM 0 HE1 TYR A 36 -11.378 2.598 -4.517 1.00 1.00 H new ATOM 0 HE2 TYR A 36 -10.216 -1.482 -3.846 1.00 1.00 H new ATOM 0 HH TYR A 36 -12.418 -0.365 -3.261 1.00 1.00 H new ATOM 554 N ALA A 37 -6.525 2.481 -9.138 1.00 1.00 N ATOM 555 CA ALA A 37 -5.733 3.601 -9.642 1.00 1.00 C ATOM 556 C ALA A 37 -6.495 4.353 -10.729 1.00 1.00 C ATOM 557 O ALA A 37 -6.381 5.571 -10.851 1.00 1.00 O ATOM 558 CB ALA A 37 -4.410 3.089 -10.213 1.00 1.00 C ATOM 0 H ALA A 37 -5.982 1.645 -8.921 1.00 1.00 H new ATOM 0 HA ALA A 37 -5.536 4.281 -8.813 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -3.825 3.930 -10.587 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -3.850 2.577 -9.431 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -4.610 2.395 -11.029 1.00 1.00 H new ATOM 564 N GLN A 38 -7.275 3.620 -11.511 1.00 1.00 N ATOM 565 CA GLN A 38 -8.055 4.229 -12.579 1.00 1.00 C ATOM 566 C GLN A 38 -8.897 5.380 -12.034 1.00 1.00 C ATOM 567 O GLN A 38 -9.007 6.433 -12.660 1.00 1.00 O ATOM 568 CB GLN A 38 -8.968 3.178 -13.214 1.00 1.00 C ATOM 569 CG GLN A 38 -8.467 2.845 -14.621 1.00 1.00 C ATOM 570 CD GLN A 38 -8.687 4.035 -15.549 1.00 1.00 C ATOM 571 OE1 GLN A 38 -9.029 5.189 -15.044 1.00 1.00 O flip ATOM 572 NE2 GLN A 38 -8.542 3.912 -16.766 1.00 1.00 N flip ATOM 0 H GLN A 38 -7.384 2.609 -11.427 1.00 1.00 H new ATOM 0 HA GLN A 38 -7.372 4.621 -13.333 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -8.984 2.277 -12.600 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -9.991 3.551 -13.260 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -7.408 2.590 -14.588 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -8.993 1.971 -15.006 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -8.275 3.010 -17.159 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -8.689 4.713 -17.381 1.00 1.00 H new ATOM 581 N LEU A 39 -9.487 5.167 -10.864 1.00 1.00 N ATOM 582 CA LEU A 39 -10.319 6.187 -10.236 1.00 1.00 C ATOM 583 C LEU A 39 -9.540 7.489 -10.046 1.00 1.00 C ATOM 584 O LEU A 39 -10.088 8.576 -10.217 1.00 1.00 O ATOM 585 CB LEU A 39 -10.822 5.681 -8.881 1.00 1.00 C ATOM 586 CG LEU A 39 -12.037 4.771 -9.090 1.00 1.00 C ATOM 587 CD1 LEU A 39 -12.096 3.729 -7.972 1.00 1.00 C ATOM 588 CD2 LEU A 39 -13.316 5.609 -9.065 1.00 1.00 C ATOM 0 H LEU A 39 -9.406 4.300 -10.332 1.00 1.00 H new ATOM 0 HA LEU A 39 -11.168 6.388 -10.889 1.00 1.00 H new ATOM 0 HB2 LEU A 39 -10.030 5.135 -8.369 1.00 1.00 H new ATOM 0 HB3 LEU A 39 -11.091 6.524 -8.244 1.00 1.00 H new ATOM 0 HG LEU A 39 -11.948 4.269 -10.053 1.00 1.00 H new ATOM 0 HD11 LEU A 39 -12.961 3.083 -8.122 1.00 1.00 H new ATOM 0 HD12 LEU A 39 -11.187 3.128 -7.987 1.00 1.00 H new ATOM 0 HD13 LEU A 39 -12.183 4.233 -7.009 1.00 1.00 H new ATOM 0 HD21 LEU A 39 -14.179 4.960 -9.214 1.00 1.00 H new ATOM 0 HD22 LEU A 39 -13.402 6.113 -8.102 1.00 1.00 H new ATOM 0 HD23 LEU A 39 -13.279 6.352 -9.861 1.00 1.00 H new ATOM 600 N TYR A 40 -8.262 7.372 -9.688 1.00 1.00 N ATOM 601 CA TYR A 40 -7.429 8.555 -9.478 1.00 1.00 C ATOM 602 C TYR A 40 -7.623 9.557 -10.610 1.00 1.00 C ATOM 603 O TYR A 40 -7.940 10.722 -10.371 1.00 1.00 O ATOM 604 CB TYR A 40 -5.953 8.156 -9.399 1.00 1.00 C ATOM 605 CG TYR A 40 -5.116 9.381 -9.110 1.00 1.00 C ATOM 606 CD1 TYR A 40 -5.187 9.998 -7.856 1.00 1.00 C ATOM 607 CD2 TYR A 40 -4.269 9.900 -10.097 1.00 1.00 C ATOM 608 CE1 TYR A 40 -4.413 11.133 -7.588 1.00 1.00 C ATOM 609 CE2 TYR A 40 -3.494 11.033 -9.830 1.00 1.00 C ATOM 610 CZ TYR A 40 -3.566 11.650 -8.575 1.00 1.00 C ATOM 611 OH TYR A 40 -2.802 12.769 -8.312 1.00 1.00 O ATOM 0 H TYR A 40 -7.786 6.482 -9.539 1.00 1.00 H new ATOM 0 HA TYR A 40 -7.729 9.019 -8.539 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -5.808 7.410 -8.617 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -5.638 7.700 -10.337 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -5.840 9.598 -7.094 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -4.214 9.425 -11.065 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -4.469 11.609 -6.620 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -2.840 11.432 -10.591 1.00 1.00 H new ATOM 0 HH TYR A 40 -2.638 12.834 -7.348 1.00 1.00 H new ATOM 621 N GLU A 41 -7.428 9.096 -11.839 1.00 1.00 N ATOM 622 CA GLU A 41 -7.584 9.965 -12.998 1.00 1.00 C ATOM 623 C GLU A 41 -8.845 10.812 -12.869 1.00 1.00 C ATOM 624 O GLU A 41 -8.904 11.934 -13.372 1.00 1.00 O ATOM 625 CB GLU A 41 -7.656 9.124 -14.275 1.00 1.00 C ATOM 626 CG GLU A 41 -6.620 7.998 -14.206 1.00 1.00 C ATOM 627 CD GLU A 41 -5.291 8.539 -13.692 1.00 1.00 C ATOM 628 OE1 GLU A 41 -4.885 9.594 -14.152 1.00 1.00 O ATOM 629 OE2 GLU A 41 -4.697 7.890 -12.847 1.00 1.00 O ATOM 0 H GLU A 41 -7.164 8.135 -12.058 1.00 1.00 H new ATOM 0 HA GLU A 41 -6.721 10.629 -13.050 1.00 1.00 H new ATOM 0 HB2 GLU A 41 -8.656 8.706 -14.391 1.00 1.00 H new ATOM 0 HB3 GLU A 41 -7.469 9.751 -15.147 1.00 1.00 H new ATOM 0 HG2 GLU A 41 -6.977 7.205 -13.549 1.00 1.00 H new ATOM 0 HG3 GLU A 41 -6.484 7.557 -15.194 1.00 1.00 H new ATOM 636 N ASP A 42 -9.854 10.271 -12.190 1.00 1.00 N ATOM 637 CA ASP A 42 -11.108 10.991 -12.002 1.00 1.00 C ATOM 638 C ASP A 42 -11.100 11.746 -10.675 1.00 1.00 C ATOM 639 O ASP A 42 -11.892 12.665 -10.470 1.00 1.00 O ATOM 640 CB ASP A 42 -12.280 10.009 -12.024 1.00 1.00 C ATOM 641 CG ASP A 42 -13.400 10.551 -12.906 1.00 1.00 C ATOM 642 OD1 ASP A 42 -13.727 11.718 -12.762 1.00 1.00 O ATOM 643 OD2 ASP A 42 -13.916 9.792 -13.709 1.00 1.00 O ATOM 0 H ASP A 42 -9.828 9.344 -11.765 1.00 1.00 H new ATOM 0 HA ASP A 42 -11.219 11.709 -12.815 1.00 1.00 H new ATOM 0 HB2 ASP A 42 -11.947 9.041 -12.399 1.00 1.00 H new ATOM 0 HB3 ASP A 42 -12.649 9.848 -11.011 1.00 1.00 H new ATOM 648 N SER A 43 -10.202 11.348 -9.779 1.00 1.00 N ATOM 649 CA SER A 43 -10.100 11.990 -8.474 1.00 1.00 C ATOM 650 C SER A 43 -11.185 11.476 -7.534 1.00 1.00 C ATOM 651 O SER A 43 -11.441 12.065 -6.484 1.00 1.00 O ATOM 652 CB SER A 43 -10.229 13.507 -8.624 1.00 1.00 C ATOM 653 OG SER A 43 -9.421 14.146 -7.644 1.00 1.00 O ATOM 0 H SER A 43 -9.538 10.589 -9.932 1.00 1.00 H new ATOM 0 HA SER A 43 -9.125 11.749 -8.050 1.00 1.00 H new ATOM 0 HB2 SER A 43 -9.919 13.813 -9.623 1.00 1.00 H new ATOM 0 HB3 SER A 43 -11.270 13.808 -8.507 1.00 1.00 H new ATOM 0 HG SER A 43 -8.875 13.476 -7.183 1.00 1.00 H new ATOM 659 N GLN A 44 -11.818 10.373 -7.919 1.00 1.00 N ATOM 660 CA GLN A 44 -12.873 9.784 -7.103 1.00 1.00 C ATOM 661 C GLN A 44 -12.286 8.774 -6.125 1.00 1.00 C ATOM 662 O GLN A 44 -12.966 7.844 -5.693 1.00 1.00 O ATOM 663 CB GLN A 44 -13.898 9.092 -8.000 1.00 1.00 C ATOM 664 CG GLN A 44 -14.591 10.132 -8.881 1.00 1.00 C ATOM 665 CD GLN A 44 -15.797 10.712 -8.152 1.00 1.00 C ATOM 666 OE1 GLN A 44 -15.766 11.862 -7.716 1.00 1.00 O ATOM 667 NE2 GLN A 44 -16.867 9.980 -7.996 1.00 1.00 N ATOM 0 H GLN A 44 -11.621 9.872 -8.785 1.00 1.00 H new ATOM 0 HA GLN A 44 -13.362 10.579 -6.539 1.00 1.00 H new ATOM 0 HB2 GLN A 44 -13.406 8.343 -8.621 1.00 1.00 H new ATOM 0 HB3 GLN A 44 -14.634 8.567 -7.391 1.00 1.00 H new ATOM 0 HG2 GLN A 44 -13.892 10.929 -9.136 1.00 1.00 H new ATOM 0 HG3 GLN A 44 -14.908 9.674 -9.818 1.00 1.00 H new ATOM 0 HE21 GLN A 44 -16.890 9.027 -8.358 1.00 1.00 H new ATOM 0 HE22 GLN A 44 -17.680 10.361 -7.512 1.00 1.00 H new ATOM 676 N PHE A 45 -11.018 8.966 -5.781 1.00 1.00 N ATOM 677 CA PHE A 45 -10.341 8.066 -4.856 1.00 1.00 C ATOM 678 C PHE A 45 -10.916 8.176 -3.455 1.00 1.00 C ATOM 679 O PHE A 45 -11.059 7.169 -2.765 1.00 1.00 O ATOM 680 CB PHE A 45 -8.846 8.374 -4.820 1.00 1.00 C ATOM 681 CG PHE A 45 -8.075 7.173 -5.311 1.00 1.00 C ATOM 682 CD1 PHE A 45 -8.159 6.792 -6.655 1.00 1.00 C ATOM 683 CD2 PHE A 45 -7.270 6.445 -4.426 1.00 1.00 C ATOM 684 CE1 PHE A 45 -7.439 5.685 -7.116 1.00 1.00 C ATOM 685 CE2 PHE A 45 -6.549 5.337 -4.887 1.00 1.00 C ATOM 686 CZ PHE A 45 -6.634 4.956 -6.232 1.00 1.00 C ATOM 0 H PHE A 45 -10.441 9.733 -6.127 1.00 1.00 H new ATOM 0 HA PHE A 45 -10.496 7.047 -5.212 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -8.627 9.241 -5.444 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -8.540 8.626 -3.805 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -8.780 7.353 -7.337 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -7.205 6.738 -3.389 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -7.504 5.393 -8.154 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -5.927 4.776 -4.205 1.00 1.00 H new ATOM 0 HZ PHE A 45 -6.079 4.100 -6.587 1.00 1.00 H new ATOM 696 N PRO A 46 -11.243 9.356 -3.009 1.00 1.00 N ATOM 697 CA PRO A 46 -11.813 9.529 -1.654 1.00 1.00 C ATOM 698 C PRO A 46 -13.209 8.926 -1.560 1.00 1.00 C ATOM 699 O PRO A 46 -14.148 9.397 -2.201 1.00 1.00 O ATOM 700 CB PRO A 46 -11.860 11.053 -1.450 1.00 1.00 C ATOM 701 CG PRO A 46 -11.109 11.658 -2.596 1.00 1.00 C ATOM 702 CD PRO A 46 -11.109 10.628 -3.721 1.00 1.00 C ATOM 0 HA PRO A 46 -11.219 9.024 -0.892 1.00 1.00 H new ATOM 0 HB2 PRO A 46 -12.890 11.410 -1.429 1.00 1.00 H new ATOM 0 HB3 PRO A 46 -11.407 11.331 -0.499 1.00 1.00 H new ATOM 0 HG2 PRO A 46 -11.582 12.585 -2.921 1.00 1.00 H new ATOM 0 HG3 PRO A 46 -10.090 11.907 -2.301 1.00 1.00 H new ATOM 0 HD2 PRO A 46 -11.934 10.790 -4.415 1.00 1.00 H new ATOM 0 HD3 PRO A 46 -10.189 10.668 -4.304 1.00 1.00 H new ATOM 710 N ILE A 47 -13.329 7.892 -0.740 1.00 1.00 N ATOM 711 CA ILE A 47 -14.604 7.211 -0.530 1.00 1.00 C ATOM 712 C ILE A 47 -14.511 6.343 0.721 1.00 1.00 C ATOM 713 O ILE A 47 -13.465 6.288 1.368 1.00 1.00 O ATOM 714 CB ILE A 47 -14.957 6.322 -1.737 1.00 1.00 C ATOM 715 CG1 ILE A 47 -13.715 5.540 -2.170 1.00 1.00 C ATOM 716 CG2 ILE A 47 -15.450 7.168 -2.920 1.00 1.00 C ATOM 717 CD1 ILE A 47 -14.137 4.247 -2.871 1.00 1.00 C ATOM 0 H ILE A 47 -12.554 7.502 -0.204 1.00 1.00 H new ATOM 0 HA ILE A 47 -15.384 7.963 -0.411 1.00 1.00 H new ATOM 0 HB ILE A 47 -15.753 5.640 -1.439 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -13.107 6.147 -2.841 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -13.098 5.309 -1.302 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -15.692 6.515 -3.758 1.00 1.00 H new ATOM 0 HG22 ILE A 47 -16.340 7.724 -2.624 1.00 1.00 H new ATOM 0 HG23 ILE A 47 -14.668 7.867 -3.218 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -13.250 3.693 -3.178 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -14.726 3.637 -2.186 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -14.736 4.488 -3.749 1.00 1.00 H new ATOM 729 N ASN A 48 -15.602 5.667 1.062 1.00 1.00 N ATOM 730 CA ASN A 48 -15.605 4.808 2.241 1.00 1.00 C ATOM 731 C ASN A 48 -14.512 3.752 2.130 1.00 1.00 C ATOM 732 O ASN A 48 -14.702 2.712 1.498 1.00 1.00 O ATOM 733 CB ASN A 48 -16.967 4.125 2.392 1.00 1.00 C ATOM 734 CG ASN A 48 -17.141 3.620 3.822 1.00 1.00 C ATOM 735 OD1 ASN A 48 -16.157 3.739 4.670 1.00 1.00 O flip ATOM 736 ND2 ASN A 48 -18.204 3.106 4.174 1.00 1.00 N flip ATOM 0 H ASN A 48 -16.483 5.695 0.549 1.00 1.00 H new ATOM 0 HA ASN A 48 -15.414 5.425 3.119 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -17.764 4.826 2.145 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -17.046 3.294 1.692 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -18.971 3.015 3.508 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -18.317 2.772 5.131 1.00 1.00 H new ATOM 743 N ILE A 49 -13.362 4.028 2.738 1.00 1.00 N ATOM 744 CA ILE A 49 -12.242 3.094 2.689 1.00 1.00 C ATOM 745 C ILE A 49 -12.560 1.817 3.464 1.00 1.00 C ATOM 746 O ILE A 49 -12.156 0.723 3.071 1.00 1.00 O ATOM 747 CB ILE A 49 -10.986 3.743 3.277 1.00 1.00 C ATOM 748 CG1 ILE A 49 -10.534 4.890 2.367 1.00 1.00 C ATOM 749 CG2 ILE A 49 -9.873 2.694 3.369 1.00 1.00 C ATOM 750 CD1 ILE A 49 -9.449 5.714 3.066 1.00 1.00 C ATOM 0 H ILE A 49 -13.182 4.882 3.266 1.00 1.00 H new ATOM 0 HA ILE A 49 -12.066 2.837 1.644 1.00 1.00 H new ATOM 0 HB ILE A 49 -11.204 4.133 4.271 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -10.151 4.491 1.428 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -11.384 5.526 2.120 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -8.976 3.151 3.787 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -10.197 1.875 4.012 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -9.653 2.308 2.373 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -9.133 6.527 2.413 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -9.846 6.127 3.993 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -8.595 5.075 3.290 1.00 1.00 H new ATOM 762 N VAL A 50 -13.268 1.974 4.574 1.00 1.00 N ATOM 763 CA VAL A 50 -13.619 0.836 5.419 1.00 1.00 C ATOM 764 C VAL A 50 -14.499 -0.175 4.685 1.00 1.00 C ATOM 765 O VAL A 50 -14.263 -1.376 4.763 1.00 1.00 O ATOM 766 CB VAL A 50 -14.350 1.324 6.669 1.00 1.00 C ATOM 767 CG1 VAL A 50 -15.104 0.155 7.305 1.00 1.00 C ATOM 768 CG2 VAL A 50 -13.334 1.880 7.669 1.00 1.00 C ATOM 0 H VAL A 50 -13.610 2.874 4.911 1.00 1.00 H new ATOM 0 HA VAL A 50 -12.690 0.337 5.694 1.00 1.00 H new ATOM 0 HB VAL A 50 -15.057 2.108 6.396 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -15.626 0.501 8.197 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -15.827 -0.242 6.593 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -14.397 -0.628 7.579 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -13.855 2.228 8.561 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -12.628 1.097 7.944 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -12.795 2.712 7.216 1.00 1.00 H new ATOM 778 N ALA A 51 -15.537 0.303 4.013 1.00 1.00 N ATOM 779 CA ALA A 51 -16.459 -0.594 3.318 1.00 1.00 C ATOM 780 C ALA A 51 -15.822 -1.127 2.052 1.00 1.00 C ATOM 781 O ALA A 51 -16.098 -2.245 1.614 1.00 1.00 O ATOM 782 CB ALA A 51 -17.743 0.155 2.958 1.00 1.00 C ATOM 0 H ALA A 51 -15.763 1.294 3.932 1.00 1.00 H new ATOM 0 HA ALA A 51 -16.694 -1.428 3.980 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -18.425 -0.520 2.440 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -18.217 0.522 3.868 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -17.503 0.997 2.308 1.00 1.00 H new ATOM 788 N VAL A 52 -14.975 -0.307 1.475 1.00 1.00 N ATOM 789 CA VAL A 52 -14.282 -0.656 0.257 1.00 1.00 C ATOM 790 C VAL A 52 -13.645 -2.044 0.369 1.00 1.00 C ATOM 791 O VAL A 52 -13.969 -2.944 -0.405 1.00 1.00 O ATOM 792 CB VAL A 52 -13.252 0.445 -0.009 1.00 1.00 C ATOM 793 CG1 VAL A 52 -11.891 -0.119 -0.412 1.00 1.00 C ATOM 794 CG2 VAL A 52 -13.782 1.364 -1.108 1.00 1.00 C ATOM 0 H VAL A 52 -14.747 0.619 1.836 1.00 1.00 H new ATOM 0 HA VAL A 52 -14.972 -0.718 -0.585 1.00 1.00 H new ATOM 0 HB VAL A 52 -13.105 1.002 0.917 1.00 1.00 H new ATOM 0 HG11 VAL A 52 -11.195 0.701 -0.590 1.00 1.00 H new ATOM 0 HG12 VAL A 52 -11.508 -0.752 0.388 1.00 1.00 H new ATOM 0 HG13 VAL A 52 -11.997 -0.709 -1.323 1.00 1.00 H new ATOM 0 HG21 VAL A 52 -13.055 2.152 -1.305 1.00 1.00 H new ATOM 0 HG22 VAL A 52 -13.946 0.786 -2.018 1.00 1.00 H new ATOM 0 HG23 VAL A 52 -14.723 1.810 -0.787 1.00 1.00 H new ATOM 804 N LYS A 53 -12.733 -2.209 1.318 1.00 1.00 N ATOM 805 CA LYS A 53 -12.060 -3.491 1.495 1.00 1.00 C ATOM 806 C LYS A 53 -13.080 -4.625 1.549 1.00 1.00 C ATOM 807 O LYS A 53 -12.765 -5.772 1.233 1.00 1.00 O ATOM 808 CB LYS A 53 -11.230 -3.473 2.777 1.00 1.00 C ATOM 809 CG LYS A 53 -12.157 -3.314 3.977 1.00 1.00 C ATOM 810 CD LYS A 53 -11.617 -2.221 4.906 1.00 1.00 C ATOM 811 CE LYS A 53 -10.220 -2.606 5.400 1.00 1.00 C ATOM 812 NZ LYS A 53 -9.190 -1.899 4.588 1.00 1.00 N ATOM 0 H LYS A 53 -12.444 -1.481 1.971 1.00 1.00 H new ATOM 0 HA LYS A 53 -11.398 -3.658 0.645 1.00 1.00 H new ATOM 0 HB2 LYS A 53 -10.657 -4.396 2.866 1.00 1.00 H new ATOM 0 HB3 LYS A 53 -10.512 -2.654 2.747 1.00 1.00 H new ATOM 0 HG2 LYS A 53 -13.161 -3.056 3.641 1.00 1.00 H new ATOM 0 HG3 LYS A 53 -12.234 -4.258 4.517 1.00 1.00 H new ATOM 0 HD2 LYS A 53 -11.576 -1.269 4.377 1.00 1.00 H new ATOM 0 HD3 LYS A 53 -12.289 -2.087 5.754 1.00 1.00 H new ATOM 0 HE2 LYS A 53 -10.111 -2.344 6.452 1.00 1.00 H new ATOM 0 HE3 LYS A 53 -10.081 -3.684 5.324 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 -8.692 -2.585 3.985 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 -9.650 -1.183 3.990 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 -8.508 -1.435 5.221 1.00 1.00 H new ATOM 969 N LEU A 63 -3.427 -8.216 1.829 1.00 1.00 N ATOM 970 CA LEU A 63 -3.629 -7.228 0.778 1.00 1.00 C ATOM 971 C LEU A 63 -4.702 -6.226 1.182 1.00 1.00 C ATOM 972 O LEU A 63 -5.050 -5.330 0.411 1.00 1.00 O ATOM 973 CB LEU A 63 -4.042 -7.927 -0.521 1.00 1.00 C ATOM 974 CG LEU A 63 -3.265 -7.339 -1.707 1.00 1.00 C ATOM 975 CD1 LEU A 63 -1.775 -7.668 -1.572 1.00 1.00 C ATOM 976 CD2 LEU A 63 -3.793 -7.937 -3.014 1.00 1.00 C ATOM 0 HA LEU A 63 -2.692 -6.694 0.622 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -3.849 -8.997 -0.444 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -5.113 -7.807 -0.683 1.00 1.00 H new ATOM 0 HG LEU A 63 -3.398 -6.257 -1.715 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -1.231 -7.247 -2.418 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -1.391 -7.242 -0.645 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -1.641 -8.750 -1.557 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -3.240 -7.518 -3.855 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -3.664 -9.019 -2.997 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -4.851 -7.700 -3.121 1.00 1.00 H new ATOM 988 N VAL A 64 -5.224 -6.378 2.392 1.00 1.00 N ATOM 989 CA VAL A 64 -6.257 -5.473 2.886 1.00 1.00 C ATOM 990 C VAL A 64 -5.621 -4.274 3.579 1.00 1.00 C ATOM 991 O VAL A 64 -6.015 -3.129 3.351 1.00 1.00 O ATOM 992 CB VAL A 64 -7.171 -6.205 3.866 1.00 1.00 C ATOM 993 CG1 VAL A 64 -8.155 -5.211 4.480 1.00 1.00 C ATOM 994 CG2 VAL A 64 -7.946 -7.295 3.125 1.00 1.00 C ATOM 0 H VAL A 64 -4.953 -7.112 3.046 1.00 1.00 H new ATOM 0 HA VAL A 64 -6.846 -5.123 2.038 1.00 1.00 H new ATOM 0 HB VAL A 64 -6.570 -6.659 4.654 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -8.809 -5.731 5.180 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -7.604 -4.433 5.008 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -8.755 -4.759 3.691 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -8.598 -7.817 3.825 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -8.548 -6.842 2.337 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -7.245 -8.004 2.684 1.00 1.00 H new ATOM 1004 N GLU A 65 -4.631 -4.546 4.422 1.00 1.00 N ATOM 1005 CA GLU A 65 -3.938 -3.488 5.144 1.00 1.00 C ATOM 1006 C GLU A 65 -3.341 -2.465 4.175 1.00 1.00 C ATOM 1007 O GLU A 65 -3.741 -1.300 4.179 1.00 1.00 O ATOM 1008 CB GLU A 65 -2.831 -4.083 6.016 1.00 1.00 C ATOM 1009 CG GLU A 65 -3.313 -4.168 7.466 1.00 1.00 C ATOM 1010 CD GLU A 65 -2.247 -4.836 8.327 1.00 1.00 C ATOM 1011 OE1 GLU A 65 -2.110 -6.047 8.234 1.00 1.00 O ATOM 1012 OE2 GLU A 65 -1.578 -4.129 9.063 1.00 1.00 O ATOM 0 H GLU A 65 -4.292 -5.487 4.621 1.00 1.00 H new ATOM 0 HA GLU A 65 -4.663 -2.980 5.779 1.00 1.00 H new ATOM 0 HB2 GLU A 65 -2.561 -5.075 5.653 1.00 1.00 H new ATOM 0 HB3 GLU A 65 -1.934 -3.466 5.955 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -3.527 -3.169 7.847 1.00 1.00 H new ATOM 0 HG3 GLU A 65 -4.243 -4.735 7.517 1.00 1.00 H new ATOM 1019 N PRO A 66 -2.396 -2.861 3.352 1.00 1.00 N ATOM 1020 CA PRO A 66 -1.752 -1.936 2.374 1.00 1.00 C ATOM 1021 C PRO A 66 -2.768 -1.257 1.459 1.00 1.00 C ATOM 1022 O PRO A 66 -2.628 -0.078 1.131 1.00 1.00 O ATOM 1023 CB PRO A 66 -0.803 -2.832 1.564 1.00 1.00 C ATOM 1024 CG PRO A 66 -1.202 -4.236 1.870 1.00 1.00 C ATOM 1025 CD PRO A 66 -1.837 -4.218 3.255 1.00 1.00 C ATOM 0 HA PRO A 66 -1.236 -1.120 2.881 1.00 1.00 H new ATOM 0 HB2 PRO A 66 -0.888 -2.626 0.497 1.00 1.00 H new ATOM 0 HB3 PRO A 66 0.236 -2.652 1.842 1.00 1.00 H new ATOM 0 HG2 PRO A 66 -1.906 -4.609 1.126 1.00 1.00 H new ATOM 0 HG3 PRO A 66 -0.336 -4.898 1.850 1.00 1.00 H new ATOM 0 HD2 PRO A 66 -2.610 -4.980 3.353 1.00 1.00 H new ATOM 0 HD3 PRO A 66 -1.102 -4.407 4.037 1.00 1.00 H new ATOM 1033 N LEU A 67 -3.793 -1.998 1.054 1.00 1.00 N ATOM 1034 CA LEU A 67 -4.822 -1.441 0.182 1.00 1.00 C ATOM 1035 C LEU A 67 -5.495 -0.248 0.852 1.00 1.00 C ATOM 1036 O LEU A 67 -5.659 0.808 0.241 1.00 1.00 O ATOM 1037 CB LEU A 67 -5.868 -2.510 -0.145 1.00 1.00 C ATOM 1038 CG LEU A 67 -7.005 -1.891 -0.960 1.00 1.00 C ATOM 1039 CD1 LEU A 67 -7.370 -2.824 -2.116 1.00 1.00 C ATOM 1040 CD2 LEU A 67 -8.229 -1.695 -0.061 1.00 1.00 C ATOM 0 H LEU A 67 -3.934 -2.975 1.311 1.00 1.00 H new ATOM 0 HA LEU A 67 -4.351 -1.107 -0.742 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -5.407 -3.323 -0.706 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -6.261 -2.941 0.776 1.00 1.00 H new ATOM 0 HG LEU A 67 -6.685 -0.927 -1.356 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -8.180 -2.384 -2.697 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -6.500 -2.967 -2.757 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -7.690 -3.787 -1.719 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -9.040 -1.254 -0.641 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -8.548 -2.659 0.334 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -7.971 -1.032 0.765 1.00 1.00 H new ATOM 1052 N CYS A 68 -5.877 -0.423 2.111 1.00 1.00 N ATOM 1053 CA CYS A 68 -6.528 0.647 2.857 1.00 1.00 C ATOM 1054 C CYS A 68 -5.521 1.730 3.228 1.00 1.00 C ATOM 1055 O CYS A 68 -5.897 2.851 3.570 1.00 1.00 O ATOM 1056 CB CYS A 68 -7.167 0.084 4.128 1.00 1.00 C ATOM 1057 SG CYS A 68 -6.426 0.877 5.575 1.00 1.00 S ATOM 0 H CYS A 68 -5.749 -1.289 2.634 1.00 1.00 H new ATOM 0 HA CYS A 68 -7.301 1.086 2.226 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -8.243 0.258 4.115 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -7.019 -0.995 4.175 1.00 1.00 H new ATOM 0 HG CYS A 68 -6.347 2.159 5.375 1.00 1.00 H new ATOM 1063 N ARG A 69 -4.238 1.385 3.159 1.00 1.00 N ATOM 1064 CA ARG A 69 -3.184 2.332 3.493 1.00 1.00 C ATOM 1065 C ARG A 69 -2.911 3.267 2.319 1.00 1.00 C ATOM 1066 O ARG A 69 -2.863 4.487 2.484 1.00 1.00 O ATOM 1067 CB ARG A 69 -1.904 1.576 3.850 1.00 1.00 C ATOM 1068 CG ARG A 69 -0.885 2.547 4.449 1.00 1.00 C ATOM 1069 CD ARG A 69 0.452 2.393 3.724 1.00 1.00 C ATOM 1070 NE ARG A 69 0.818 0.984 3.632 1.00 1.00 N ATOM 1071 CZ ARG A 69 1.613 0.540 2.664 1.00 1.00 C ATOM 1072 NH1 ARG A 69 2.087 1.371 1.777 1.00 1.00 N ATOM 1073 NH2 ARG A 69 1.920 -0.726 2.601 1.00 1.00 N ATOM 0 H ARG A 69 -3.907 0.463 2.877 1.00 1.00 H new ATOM 0 HA ARG A 69 -3.510 2.926 4.347 1.00 1.00 H new ATOM 0 HB2 ARG A 69 -2.126 0.781 4.562 1.00 1.00 H new ATOM 0 HB3 ARG A 69 -1.490 1.101 2.961 1.00 1.00 H new ATOM 0 HG2 ARG A 69 -1.245 3.572 4.357 1.00 1.00 H new ATOM 0 HG3 ARG A 69 -0.759 2.348 5.513 1.00 1.00 H new ATOM 0 HD2 ARG A 69 0.384 2.824 2.725 1.00 1.00 H new ATOM 0 HD3 ARG A 69 1.228 2.943 4.256 1.00 1.00 H new ATOM 0 HE ARG A 69 0.457 0.327 4.324 1.00 1.00 H new ATOM 0 HH11 ARG A 69 1.847 2.361 1.827 1.00 1.00 H new ATOM 0 HH12 ARG A 69 2.697 1.030 1.034 1.00 1.00 H new ATOM 0 HH21 ARG A 69 1.550 -1.376 3.295 1.00 1.00 H new ATOM 0 HH22 ARG A 69 2.530 -1.066 1.858 1.00 1.00 H new ATOM 1087 N ARG A 70 -2.729 2.690 1.136 1.00 1.00 N ATOM 1088 CA ARG A 70 -2.458 3.489 -0.052 1.00 1.00 C ATOM 1089 C ARG A 70 -3.667 4.350 -0.410 1.00 1.00 C ATOM 1090 O ARG A 70 -3.541 5.561 -0.588 1.00 1.00 O ATOM 1091 CB ARG A 70 -2.111 2.580 -1.236 1.00 1.00 C ATOM 1092 CG ARG A 70 -0.856 1.754 -0.924 1.00 1.00 C ATOM 1093 CD ARG A 70 0.347 2.674 -0.694 1.00 1.00 C ATOM 1094 NE ARG A 70 1.564 2.040 -1.186 1.00 1.00 N ATOM 1095 CZ ARG A 70 2.612 2.763 -1.568 1.00 1.00 C ATOM 1096 NH1 ARG A 70 2.566 4.065 -1.500 1.00 1.00 N ATOM 1097 NH2 ARG A 70 3.688 2.170 -2.010 1.00 1.00 N ATOM 0 H ARG A 70 -2.764 1.683 0.975 1.00 1.00 H new ATOM 0 HA ARG A 70 -1.611 4.140 0.164 1.00 1.00 H new ATOM 0 HB2 ARG A 70 -2.948 1.915 -1.450 1.00 1.00 H new ATOM 0 HB3 ARG A 70 -1.945 3.182 -2.129 1.00 1.00 H new ATOM 0 HG2 ARG A 70 -1.027 1.141 -0.039 1.00 1.00 H new ATOM 0 HG3 ARG A 70 -0.648 1.072 -1.748 1.00 1.00 H new ATOM 0 HD2 ARG A 70 0.191 3.624 -1.205 1.00 1.00 H new ATOM 0 HD3 ARG A 70 0.447 2.896 0.368 1.00 1.00 H new ATOM 0 HE ARG A 70 1.612 1.022 -1.238 1.00 1.00 H new ATOM 0 HH11 ARG A 70 1.726 4.528 -1.154 1.00 1.00 H new ATOM 0 HH12 ARG A 70 3.370 4.620 -1.793 1.00 1.00 H new ATOM 0 HH21 ARG A 70 3.724 1.152 -2.062 1.00 1.00 H new ATOM 0 HH22 ARG A 70 4.492 2.725 -2.303 1.00 1.00 H new ATOM 1111 N LEU A 71 -4.837 3.723 -0.512 1.00 1.00 N ATOM 1112 CA LEU A 71 -6.048 4.463 -0.849 1.00 1.00 C ATOM 1113 C LEU A 71 -6.176 5.690 0.047 1.00 1.00 C ATOM 1114 O LEU A 71 -6.524 6.775 -0.417 1.00 1.00 O ATOM 1115 CB LEU A 71 -7.285 3.570 -0.686 1.00 1.00 C ATOM 1116 CG LEU A 71 -7.376 2.586 -1.864 1.00 1.00 C ATOM 1117 CD1 LEU A 71 -8.252 1.395 -1.468 1.00 1.00 C ATOM 1118 CD2 LEU A 71 -8.001 3.273 -3.087 1.00 1.00 C ATOM 0 H LEU A 71 -4.971 2.722 -0.369 1.00 1.00 H new ATOM 0 HA LEU A 71 -5.981 4.783 -1.889 1.00 1.00 H new ATOM 0 HB2 LEU A 71 -7.228 3.022 0.254 1.00 1.00 H new ATOM 0 HB3 LEU A 71 -8.185 4.184 -0.643 1.00 1.00 H new ATOM 0 HG LEU A 71 -6.370 2.248 -2.114 1.00 1.00 H new ATOM 0 HD11 LEU A 71 -8.317 0.697 -2.303 1.00 1.00 H new ATOM 0 HD12 LEU A 71 -7.813 0.891 -0.607 1.00 1.00 H new ATOM 0 HD13 LEU A 71 -9.251 1.747 -1.212 1.00 1.00 H new ATOM 0 HD21 LEU A 71 -8.059 2.564 -3.913 1.00 1.00 H new ATOM 0 HD22 LEU A 71 -9.003 3.621 -2.836 1.00 1.00 H new ATOM 0 HD23 LEU A 71 -7.385 4.123 -3.381 1.00 1.00 H new ATOM 1130 N ASN A 72 -5.886 5.510 1.331 1.00 1.00 N ATOM 1131 CA ASN A 72 -5.964 6.612 2.282 1.00 1.00 C ATOM 1132 C ASN A 72 -5.092 7.772 1.820 1.00 1.00 C ATOM 1133 O ASN A 72 -5.499 8.933 1.889 1.00 1.00 O ATOM 1134 CB ASN A 72 -5.503 6.146 3.664 1.00 1.00 C ATOM 1135 CG ASN A 72 -4.589 7.195 4.287 1.00 1.00 C ATOM 1136 OD1 ASN A 72 -5.003 8.335 4.496 1.00 1.00 O ATOM 1137 ND2 ASN A 72 -3.360 6.878 4.592 1.00 1.00 N ATOM 0 H ASN A 72 -5.597 4.619 1.735 1.00 1.00 H new ATOM 0 HA ASN A 72 -7.000 6.946 2.340 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -6.367 5.976 4.307 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.976 5.196 3.580 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -2.741 7.576 5.004 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -3.019 5.933 4.418 1.00 1.00 H new ATOM 1144 N THR A 73 -3.893 7.452 1.348 1.00 1.00 N ATOM 1145 CA THR A 73 -2.971 8.476 0.874 1.00 1.00 C ATOM 1146 C THR A 73 -3.569 9.222 -0.313 1.00 1.00 C ATOM 1147 O THR A 73 -3.816 10.427 -0.240 1.00 1.00 O ATOM 1148 CB THR A 73 -1.643 7.838 0.461 1.00 1.00 C ATOM 1149 OG1 THR A 73 -1.157 7.032 1.524 1.00 1.00 O ATOM 1150 CG2 THR A 73 -0.626 8.934 0.142 1.00 1.00 C ATOM 0 H THR A 73 -3.538 6.498 1.284 1.00 1.00 H new ATOM 0 HA THR A 73 -2.795 9.183 1.685 1.00 1.00 H new ATOM 0 HB THR A 73 -1.795 7.220 -0.424 1.00 1.00 H new ATOM 0 HG1 THR A 73 -0.209 7.228 1.676 1.00 1.00 H new ATOM 0 HG21 THR A 73 0.320 8.479 -0.152 1.00 1.00 H new ATOM 0 HG22 THR A 73 -1.001 9.552 -0.674 1.00 1.00 H new ATOM 0 HG23 THR A 73 -0.471 9.554 1.025 1.00 1.00 H new ATOM 1158 N LEU A 74 -3.799 8.502 -1.405 1.00 1.00 N ATOM 1159 CA LEU A 74 -4.370 9.113 -2.599 1.00 1.00 C ATOM 1160 C LEU A 74 -5.654 9.857 -2.249 1.00 1.00 C ATOM 1161 O LEU A 74 -5.883 10.972 -2.717 1.00 1.00 O ATOM 1162 CB LEU A 74 -4.671 8.036 -3.649 1.00 1.00 C ATOM 1163 CG LEU A 74 -3.445 7.800 -4.540 1.00 1.00 C ATOM 1164 CD1 LEU A 74 -3.706 6.604 -5.457 1.00 1.00 C ATOM 1165 CD2 LEU A 74 -3.164 9.036 -5.403 1.00 1.00 C ATOM 0 H LEU A 74 -3.601 7.505 -1.488 1.00 1.00 H new ATOM 0 HA LEU A 74 -3.648 9.821 -3.006 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -4.954 7.106 -3.155 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -5.519 8.343 -4.261 1.00 1.00 H new ATOM 0 HG LEU A 74 -2.583 7.605 -3.903 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -2.836 6.435 -6.091 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -3.893 5.716 -4.853 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -4.576 6.807 -6.082 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -2.291 8.852 -6.029 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -4.027 9.242 -6.036 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -2.974 9.894 -4.758 1.00 1.00 H new ATOM 1177 N ASN A 75 -6.487 9.234 -1.421 1.00 1.00 N ATOM 1178 CA ASN A 75 -7.743 9.852 -1.012 1.00 1.00 C ATOM 1179 C ASN A 75 -7.497 11.266 -0.499 1.00 1.00 C ATOM 1180 O ASN A 75 -8.382 12.120 -0.554 1.00 1.00 O ATOM 1181 CB ASN A 75 -8.402 9.017 0.087 1.00 1.00 C ATOM 1182 CG ASN A 75 -8.970 7.732 -0.498 1.00 1.00 C ATOM 1183 OD1 ASN A 75 -8.622 7.346 -1.613 1.00 1.00 O ATOM 1184 ND2 ASN A 75 -9.836 7.042 0.194 1.00 1.00 N ATOM 0 H ASN A 75 -6.317 8.310 -1.023 1.00 1.00 H new ATOM 0 HA ASN A 75 -8.404 9.899 -1.877 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -7.672 8.781 0.861 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -9.197 9.591 0.563 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -10.225 6.181 -0.190 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -10.123 7.364 1.118 1.00 1.00 H new ATOM 1191 N LYS A 76 -6.287 11.505 -0.005 1.00 1.00 N ATOM 1192 CA LYS A 76 -5.930 12.819 0.516 1.00 1.00 C ATOM 1193 C LYS A 76 -5.274 13.665 -0.572 1.00 1.00 C ATOM 1194 O LYS A 76 -5.442 14.883 -0.608 1.00 1.00 O ATOM 1195 CB LYS A 76 -4.967 12.668 1.694 1.00 1.00 C ATOM 1196 CG LYS A 76 -5.409 13.585 2.836 1.00 1.00 C ATOM 1197 CD LYS A 76 -4.302 13.654 3.892 1.00 1.00 C ATOM 1198 CE LYS A 76 -3.993 12.245 4.402 1.00 1.00 C ATOM 1199 NZ LYS A 76 -2.972 11.612 3.522 1.00 1.00 N ATOM 0 H LYS A 76 -5.541 10.811 0.046 1.00 1.00 H new ATOM 0 HA LYS A 76 -6.840 13.317 0.851 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -4.949 11.632 2.032 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -3.953 12.920 1.383 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -5.624 14.583 2.453 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -6.330 13.210 3.283 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -3.405 14.102 3.465 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -4.614 14.291 4.720 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -3.627 12.290 5.428 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -4.902 11.643 4.414 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -3.401 10.815 3.010 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -2.620 12.313 2.839 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -2.181 11.266 4.102 1.00 1.00 H new ATOM 1213 N CYS A 77 -4.529 13.009 -1.455 1.00 1.00 N ATOM 1214 CA CYS A 77 -3.851 13.710 -2.540 1.00 1.00 C ATOM 1215 C CYS A 77 -4.774 13.854 -3.746 1.00 1.00 C ATOM 1216 O CYS A 77 -4.450 14.553 -4.706 1.00 1.00 O ATOM 1217 CB CYS A 77 -2.590 12.946 -2.947 1.00 1.00 C ATOM 1218 SG CYS A 77 -2.794 12.297 -4.624 1.00 1.00 S ATOM 0 H CYS A 77 -4.380 12.000 -1.442 1.00 1.00 H new ATOM 0 HA CYS A 77 -3.576 14.704 -2.189 1.00 1.00 H new ATOM 0 HB2 CYS A 77 -1.723 13.605 -2.903 1.00 1.00 H new ATOM 0 HB3 CYS A 77 -2.405 12.129 -2.249 1.00 1.00 H new ATOM 0 HG CYS A 77 -3.261 13.232 -5.397 1.00 1.00 H new ATOM 1224 N ALA A 78 -5.922 13.189 -3.689 1.00 1.00 N ATOM 1225 CA ALA A 78 -6.884 13.250 -4.785 1.00 1.00 C ATOM 1226 C ALA A 78 -7.434 14.664 -4.937 1.00 1.00 C ATOM 1227 O ALA A 78 -7.974 15.021 -5.983 1.00 1.00 O ATOM 1228 CB ALA A 78 -8.034 12.277 -4.524 1.00 1.00 C ATOM 0 H ALA A 78 -6.209 12.606 -2.903 1.00 1.00 H new ATOM 0 HA ALA A 78 -6.375 12.970 -5.707 1.00 1.00 H new ATOM 0 HB1 ALA A 78 -8.748 12.328 -5.346 1.00 1.00 H new ATOM 0 HB2 ALA A 78 -7.642 11.263 -4.446 1.00 1.00 H new ATOM 0 HB3 ALA A 78 -8.533 12.545 -3.593 1.00 1.00 H new