USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=13 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 72 ASN :FLIP amide:sc= 0.344 F(o=-3.9!,f=0.81) USER MOD Set 1.2: A 76 LYS NZ :NH3+ -135:sc= 0.463 (180deg=0) USER MOD Set 2.1: A 40 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 77 CYS SG : rot -18:sc= 1.07 USER MOD Single : A 22 LYS NZ :NH3+ 168:sc= -0.632 (180deg=-0.926) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.554! USER MOD Single : A 35 GLN :FLIP amide:sc= -3.91 F(o=-6.6!,f=-3.9) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.173 USER MOD Single : A 38 GLN : amide:sc= -0.675 K(o=-0.67,f=-1.7) USER MOD Single : A 43 SER OG : rot 94:sc= -0.321! USER MOD Single : A 44 GLN : amide:sc= -0.0181 X(o=-0.018,f=0) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.191 F(o=-2.5!,f=-0.19) USER MOD Single : A 53 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.237) USER MOD Single : A 68 CYS SG : rot -77:sc= 0.141 USER MOD Single : A 73 THR OG1 : rot 82:sc= 0.586 USER MOD Single : A 75 ASN : amide:sc= -8.42! C(o=-8.4!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 293 N GLU A 20 4.487 8.480 -2.172 1.00 1.00 N ATOM 294 CA GLU A 20 3.546 7.451 -1.749 1.00 1.00 C ATOM 295 C GLU A 20 2.342 7.432 -2.682 1.00 1.00 C ATOM 296 O GLU A 20 1.781 6.374 -2.964 1.00 1.00 O ATOM 297 CB GLU A 20 3.085 7.716 -0.315 1.00 1.00 C ATOM 298 CG GLU A 20 4.026 7.009 0.662 1.00 1.00 C ATOM 299 CD GLU A 20 3.786 5.504 0.619 1.00 1.00 C ATOM 300 OE1 GLU A 20 2.935 5.038 1.357 1.00 1.00 O ATOM 301 OE2 GLU A 20 4.456 4.839 -0.154 1.00 1.00 O ATOM 0 HA GLU A 20 4.044 6.482 -1.788 1.00 1.00 H new ATOM 0 HB2 GLU A 20 3.076 8.788 -0.117 1.00 1.00 H new ATOM 0 HB3 GLU A 20 2.065 7.358 -0.178 1.00 1.00 H new ATOM 0 HG2 GLU A 20 5.062 7.228 0.405 1.00 1.00 H new ATOM 0 HG3 GLU A 20 3.863 7.383 1.673 1.00 1.00 H new ATOM 308 N ALA A 21 1.946 8.610 -3.154 1.00 1.00 N ATOM 309 CA ALA A 21 0.804 8.716 -4.053 1.00 1.00 C ATOM 310 C ALA A 21 1.078 7.978 -5.361 1.00 1.00 C ATOM 311 O ALA A 21 0.387 7.020 -5.702 1.00 1.00 O ATOM 312 CB ALA A 21 0.494 10.182 -4.355 1.00 1.00 C ATOM 0 H ALA A 21 2.396 9.498 -2.931 1.00 1.00 H new ATOM 0 HA ALA A 21 -0.055 8.261 -3.559 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -0.362 10.242 -5.028 1.00 1.00 H new ATOM 0 HB2 ALA A 21 0.263 10.704 -3.426 1.00 1.00 H new ATOM 0 HB3 ALA A 21 1.360 10.647 -4.827 1.00 1.00 H new ATOM 318 N LYS A 22 2.088 8.435 -6.092 1.00 1.00 N ATOM 319 CA LYS A 22 2.438 7.811 -7.362 1.00 1.00 C ATOM 320 C LYS A 22 2.572 6.302 -7.198 1.00 1.00 C ATOM 321 O LYS A 22 2.138 5.538 -8.057 1.00 1.00 O ATOM 322 CB LYS A 22 3.754 8.391 -7.886 1.00 1.00 C ATOM 323 CG LYS A 22 3.611 8.738 -9.371 1.00 1.00 C ATOM 324 CD LYS A 22 2.767 10.005 -9.526 1.00 1.00 C ATOM 325 CE LYS A 22 1.734 9.803 -10.636 1.00 1.00 C ATOM 326 NZ LYS A 22 0.650 8.903 -10.151 1.00 1.00 N ATOM 0 H LYS A 22 2.674 9.228 -5.830 1.00 1.00 H new ATOM 0 HA LYS A 22 1.642 8.017 -8.078 1.00 1.00 H new ATOM 0 HB2 LYS A 22 4.021 9.283 -7.319 1.00 1.00 H new ATOM 0 HB3 LYS A 22 4.561 7.671 -7.747 1.00 1.00 H new ATOM 0 HG2 LYS A 22 4.595 8.888 -9.816 1.00 1.00 H new ATOM 0 HG3 LYS A 22 3.143 7.910 -9.904 1.00 1.00 H new ATOM 0 HD2 LYS A 22 2.265 10.237 -8.587 1.00 1.00 H new ATOM 0 HD3 LYS A 22 3.408 10.854 -9.763 1.00 1.00 H new ATOM 0 HE2 LYS A 22 1.316 10.764 -10.937 1.00 1.00 H new ATOM 0 HE3 LYS A 22 2.211 9.373 -11.517 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -0.146 8.926 -10.820 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 1.012 7.931 -10.078 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 0.326 9.223 -9.216 1.00 1.00 H new ATOM 340 N GLU A 23 3.167 5.881 -6.090 1.00 1.00 N ATOM 341 CA GLU A 23 3.344 4.461 -5.831 1.00 1.00 C ATOM 342 C GLU A 23 2.000 3.827 -5.516 1.00 1.00 C ATOM 343 O GLU A 23 1.623 2.819 -6.106 1.00 1.00 O ATOM 344 CB GLU A 23 4.300 4.255 -4.654 1.00 1.00 C ATOM 345 CG GLU A 23 5.730 4.104 -5.177 1.00 1.00 C ATOM 346 CD GLU A 23 5.892 2.753 -5.867 1.00 1.00 C ATOM 347 OE1 GLU A 23 5.313 1.791 -5.391 1.00 1.00 O ATOM 348 OE2 GLU A 23 6.589 2.703 -6.868 1.00 1.00 O ATOM 0 H GLU A 23 3.532 6.497 -5.363 1.00 1.00 H new ATOM 0 HA GLU A 23 3.768 3.990 -6.718 1.00 1.00 H new ATOM 0 HB2 GLU A 23 4.239 5.102 -3.970 1.00 1.00 H new ATOM 0 HB3 GLU A 23 4.013 3.368 -4.089 1.00 1.00 H new ATOM 0 HG2 GLU A 23 5.957 4.909 -5.876 1.00 1.00 H new ATOM 0 HG3 GLU A 23 6.438 4.188 -4.353 1.00 1.00 H new ATOM 355 N ALA A 24 1.285 4.431 -4.576 1.00 1.00 N ATOM 356 CA ALA A 24 -0.019 3.930 -4.175 1.00 1.00 C ATOM 357 C ALA A 24 -0.811 3.439 -5.381 1.00 1.00 C ATOM 358 O ALA A 24 -1.368 2.341 -5.361 1.00 1.00 O ATOM 359 CB ALA A 24 -0.801 5.035 -3.466 1.00 1.00 C ATOM 0 H ALA A 24 1.588 5.268 -4.078 1.00 1.00 H new ATOM 0 HA ALA A 24 0.132 3.091 -3.496 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -1.778 4.655 -3.167 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -0.252 5.360 -2.582 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -0.932 5.880 -4.142 1.00 1.00 H new ATOM 365 N CYS A 25 -0.863 4.253 -6.430 1.00 1.00 N ATOM 366 CA CYS A 25 -1.598 3.879 -7.634 1.00 1.00 C ATOM 367 C CYS A 25 -0.805 2.874 -8.465 1.00 1.00 C ATOM 368 O CYS A 25 -1.378 1.967 -9.068 1.00 1.00 O ATOM 369 CB CYS A 25 -1.885 5.123 -8.477 1.00 1.00 C ATOM 370 SG CYS A 25 -1.239 4.882 -10.150 1.00 1.00 S ATOM 0 H CYS A 25 -0.411 5.166 -6.472 1.00 1.00 H new ATOM 0 HA CYS A 25 -2.537 3.417 -7.330 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -2.958 5.311 -8.514 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -1.424 5.999 -8.020 1.00 1.00 H new ATOM 0 HG CYS A 25 -1.485 5.938 -10.867 1.00 1.00 H new ATOM 376 N ASP A 26 0.514 3.035 -8.489 1.00 1.00 N ATOM 377 CA ASP A 26 1.366 2.127 -9.250 1.00 1.00 C ATOM 378 C ASP A 26 1.512 0.796 -8.520 1.00 1.00 C ATOM 379 O ASP A 26 1.981 -0.188 -9.089 1.00 1.00 O ATOM 380 CB ASP A 26 2.748 2.751 -9.456 1.00 1.00 C ATOM 381 CG ASP A 26 3.398 2.180 -10.712 1.00 1.00 C ATOM 382 OD1 ASP A 26 3.716 1.002 -10.708 1.00 1.00 O ATOM 383 OD2 ASP A 26 3.575 2.930 -11.657 1.00 1.00 O ATOM 0 H ASP A 26 1.012 3.777 -7.997 1.00 1.00 H new ATOM 0 HA ASP A 26 0.901 1.951 -10.220 1.00 1.00 H new ATOM 0 HB2 ASP A 26 2.657 3.834 -9.544 1.00 1.00 H new ATOM 0 HB3 ASP A 26 3.378 2.553 -8.589 1.00 1.00 H new ATOM 388 N TRP A 27 1.107 0.779 -7.255 1.00 1.00 N ATOM 389 CA TRP A 27 1.191 -0.432 -6.449 1.00 1.00 C ATOM 390 C TRP A 27 -0.107 -1.223 -6.546 1.00 1.00 C ATOM 391 O TRP A 27 -0.093 -2.446 -6.678 1.00 1.00 O ATOM 392 CB TRP A 27 1.467 -0.072 -4.989 1.00 1.00 C ATOM 393 CG TRP A 27 1.479 -1.317 -4.164 1.00 1.00 C ATOM 394 CD1 TRP A 27 2.562 -2.102 -3.957 1.00 1.00 C ATOM 395 CD2 TRP A 27 0.378 -1.938 -3.439 1.00 1.00 C ATOM 396 NE1 TRP A 27 2.195 -3.164 -3.150 1.00 1.00 N ATOM 397 CE2 TRP A 27 0.860 -3.108 -2.803 1.00 1.00 C ATOM 398 CE3 TRP A 27 -0.978 -1.603 -3.270 1.00 1.00 C ATOM 399 CZ2 TRP A 27 0.027 -3.916 -2.030 1.00 1.00 C ATOM 400 CZ3 TRP A 27 -1.818 -2.415 -2.492 1.00 1.00 C ATOM 401 CH2 TRP A 27 -1.318 -3.568 -1.873 1.00 1.00 C ATOM 0 H TRP A 27 0.719 1.587 -6.768 1.00 1.00 H new ATOM 0 HA TRP A 27 2.008 -1.045 -6.828 1.00 1.00 H new ATOM 0 HB2 TRP A 27 2.424 0.442 -4.905 1.00 1.00 H new ATOM 0 HB3 TRP A 27 0.703 0.613 -4.621 1.00 1.00 H new ATOM 0 HD1 TRP A 27 3.550 -1.928 -4.356 1.00 1.00 H new ATOM 0 HE1 TRP A 27 2.834 -3.900 -2.848 1.00 1.00 H new ATOM 0 HE3 TRP A 27 -1.375 -0.716 -3.742 1.00 1.00 H new ATOM 0 HZ2 TRP A 27 0.418 -4.804 -1.556 1.00 1.00 H new ATOM 0 HZ3 TRP A 27 -2.858 -2.149 -2.370 1.00 1.00 H new ATOM 0 HH2 TRP A 27 -1.971 -4.187 -1.275 1.00 1.00 H new ATOM 412 N LEU A 28 -1.231 -0.514 -6.484 1.00 1.00 N ATOM 413 CA LEU A 28 -2.533 -1.163 -6.571 1.00 1.00 C ATOM 414 C LEU A 28 -2.565 -2.108 -7.767 1.00 1.00 C ATOM 415 O LEU A 28 -2.749 -3.316 -7.612 1.00 1.00 O ATOM 416 CB LEU A 28 -3.634 -0.109 -6.719 1.00 1.00 C ATOM 417 CG LEU A 28 -3.936 0.520 -5.355 1.00 1.00 C ATOM 418 CD1 LEU A 28 -4.501 1.931 -5.546 1.00 1.00 C ATOM 419 CD2 LEU A 28 -4.966 -0.332 -4.610 1.00 1.00 C ATOM 0 H LEU A 28 -1.266 0.500 -6.375 1.00 1.00 H new ATOM 0 HA LEU A 28 -2.703 -1.734 -5.658 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -3.321 0.661 -7.424 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -4.536 -0.566 -7.127 1.00 1.00 H new ATOM 0 HG LEU A 28 -3.013 0.570 -4.778 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -4.714 2.373 -4.572 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -3.772 2.547 -6.072 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -5.420 1.879 -6.129 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -5.178 0.119 -3.640 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -5.885 -0.385 -5.194 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -4.570 -1.337 -4.464 1.00 1.00 H new ATOM 431 N ARG A 29 -2.380 -1.550 -8.958 1.00 1.00 N ATOM 432 CA ARG A 29 -2.386 -2.352 -10.176 1.00 1.00 C ATOM 433 C ARG A 29 -1.335 -3.454 -10.087 1.00 1.00 C ATOM 434 O ARG A 29 -1.499 -4.530 -10.661 1.00 1.00 O ATOM 435 CB ARG A 29 -2.101 -1.466 -11.390 1.00 1.00 C ATOM 436 CG ARG A 29 -0.798 -0.694 -11.173 1.00 1.00 C ATOM 437 CD ARG A 29 -0.455 0.093 -12.440 1.00 1.00 C ATOM 438 NE ARG A 29 -1.669 0.625 -13.048 1.00 1.00 N ATOM 439 CZ ARG A 29 -2.230 1.744 -12.601 1.00 1.00 C ATOM 440 NH1 ARG A 29 -1.691 2.390 -11.603 1.00 1.00 N ATOM 441 NH2 ARG A 29 -3.320 2.195 -13.158 1.00 1.00 N ATOM 0 H ARG A 29 -2.225 -0.553 -9.106 1.00 1.00 H new ATOM 0 HA ARG A 29 -3.370 -2.807 -10.288 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -2.027 -2.078 -12.289 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -2.925 -0.770 -11.545 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -0.902 -0.015 -10.327 1.00 1.00 H new ATOM 0 HG3 ARG A 29 0.010 -1.384 -10.931 1.00 1.00 H new ATOM 0 HD2 ARG A 29 0.226 0.909 -12.197 1.00 1.00 H new ATOM 0 HD3 ARG A 29 0.062 -0.553 -13.149 1.00 1.00 H new ATOM 0 HE ARG A 29 -2.096 0.129 -13.831 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -0.840 2.036 -11.167 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -2.121 3.249 -11.260 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -3.742 1.689 -13.937 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -3.750 3.054 -12.815 1.00 1.00 H new ATOM 455 N ALA A 30 -0.258 -3.176 -9.359 1.00 1.00 N ATOM 456 CA ALA A 30 0.813 -4.150 -9.196 1.00 1.00 C ATOM 457 C ALA A 30 0.420 -5.203 -8.167 1.00 1.00 C ATOM 458 O ALA A 30 0.880 -6.343 -8.223 1.00 1.00 O ATOM 459 CB ALA A 30 2.096 -3.446 -8.749 1.00 1.00 C ATOM 0 H ALA A 30 -0.105 -2.291 -8.876 1.00 1.00 H new ATOM 0 HA ALA A 30 0.986 -4.640 -10.154 1.00 1.00 H new ATOM 0 HB1 ALA A 30 2.892 -4.181 -8.629 1.00 1.00 H new ATOM 0 HB2 ALA A 30 2.389 -2.713 -9.500 1.00 1.00 H new ATOM 0 HB3 ALA A 30 1.922 -2.942 -7.798 1.00 1.00 H new ATOM 465 N ALA A 31 -0.439 -4.812 -7.229 1.00 1.00 N ATOM 466 CA ALA A 31 -0.893 -5.730 -6.192 1.00 1.00 C ATOM 467 C ALA A 31 -1.911 -6.712 -6.762 1.00 1.00 C ATOM 468 O ALA A 31 -2.001 -7.856 -6.315 1.00 1.00 O ATOM 469 CB ALA A 31 -1.524 -4.948 -5.039 1.00 1.00 C ATOM 0 H ALA A 31 -0.831 -3.873 -7.167 1.00 1.00 H new ATOM 0 HA ALA A 31 -0.032 -6.287 -5.821 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -1.860 -5.643 -4.269 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -0.787 -4.266 -4.615 1.00 1.00 H new ATOM 0 HB3 ALA A 31 -2.376 -4.377 -5.409 1.00 1.00 H new ATOM 475 N GLY A 32 -2.673 -6.254 -7.752 1.00 1.00 N ATOM 476 CA GLY A 32 -3.684 -7.097 -8.384 1.00 1.00 C ATOM 477 C GLY A 32 -5.044 -6.407 -8.394 1.00 1.00 C ATOM 478 O GLY A 32 -6.075 -7.057 -8.567 1.00 1.00 O ATOM 0 H GLY A 32 -2.610 -5.310 -8.132 1.00 1.00 H new ATOM 0 HA2 GLY A 32 -3.382 -7.329 -9.406 1.00 1.00 H new ATOM 0 HA3 GLY A 32 -3.757 -8.045 -7.851 1.00 1.00 H new ATOM 482 N PHE A 33 -5.044 -5.088 -8.214 1.00 1.00 N ATOM 483 CA PHE A 33 -6.290 -4.327 -8.208 1.00 1.00 C ATOM 484 C PHE A 33 -6.130 -3.020 -8.989 1.00 1.00 C ATOM 485 O PHE A 33 -6.055 -1.936 -8.410 1.00 1.00 O ATOM 486 CB PHE A 33 -6.706 -4.033 -6.761 1.00 1.00 C ATOM 487 CG PHE A 33 -6.215 -5.144 -5.865 1.00 1.00 C ATOM 488 CD1 PHE A 33 -6.736 -6.436 -6.004 1.00 1.00 C ATOM 489 CD2 PHE A 33 -5.237 -4.885 -4.897 1.00 1.00 C ATOM 490 CE1 PHE A 33 -6.280 -7.468 -5.174 1.00 1.00 C ATOM 491 CE2 PHE A 33 -4.781 -5.916 -4.068 1.00 1.00 C ATOM 492 CZ PHE A 33 -5.303 -7.209 -4.207 1.00 1.00 C ATOM 0 H PHE A 33 -4.203 -4.529 -8.072 1.00 1.00 H new ATOM 0 HA PHE A 33 -7.066 -4.919 -8.693 1.00 1.00 H new ATOM 0 HB2 PHE A 33 -6.290 -3.079 -6.438 1.00 1.00 H new ATOM 0 HB3 PHE A 33 -7.790 -3.947 -6.693 1.00 1.00 H new ATOM 0 HD1 PHE A 33 -7.489 -6.637 -6.751 1.00 1.00 H new ATOM 0 HD2 PHE A 33 -4.834 -3.889 -4.790 1.00 1.00 H new ATOM 0 HE1 PHE A 33 -6.683 -8.464 -5.281 1.00 1.00 H new ATOM 0 HE2 PHE A 33 -4.027 -5.715 -3.321 1.00 1.00 H new ATOM 0 HZ PHE A 33 -4.951 -8.005 -3.568 1.00 1.00 H new ATOM 502 N PRO A 34 -6.074 -3.106 -10.293 1.00 1.00 N ATOM 503 CA PRO A 34 -5.918 -1.914 -11.171 1.00 1.00 C ATOM 504 C PRO A 34 -7.182 -1.059 -11.226 1.00 1.00 C ATOM 505 O PRO A 34 -7.147 0.081 -11.687 1.00 1.00 O ATOM 506 CB PRO A 34 -5.602 -2.492 -12.559 1.00 1.00 C ATOM 507 CG PRO A 34 -5.486 -3.976 -12.396 1.00 1.00 C ATOM 508 CD PRO A 34 -6.152 -4.343 -11.073 1.00 1.00 C ATOM 0 HA PRO A 34 -5.138 -1.252 -10.796 1.00 1.00 H new ATOM 0 HB2 PRO A 34 -6.390 -2.242 -13.270 1.00 1.00 H new ATOM 0 HB3 PRO A 34 -4.675 -2.073 -12.950 1.00 1.00 H new ATOM 0 HG2 PRO A 34 -5.970 -4.492 -13.225 1.00 1.00 H new ATOM 0 HG3 PRO A 34 -4.440 -4.282 -12.397 1.00 1.00 H new ATOM 0 HD2 PRO A 34 -7.184 -4.661 -11.219 1.00 1.00 H new ATOM 0 HD3 PRO A 34 -5.633 -5.163 -10.577 1.00 1.00 H new ATOM 516 N GLN A 35 -8.297 -1.614 -10.760 1.00 1.00 N ATOM 517 CA GLN A 35 -9.559 -0.885 -10.774 1.00 1.00 C ATOM 518 C GLN A 35 -9.511 0.307 -9.823 1.00 1.00 C ATOM 519 O GLN A 35 -10.199 1.305 -10.033 1.00 1.00 O ATOM 520 CB GLN A 35 -10.704 -1.817 -10.374 1.00 1.00 C ATOM 521 CG GLN A 35 -10.574 -2.181 -8.893 1.00 1.00 C ATOM 522 CD GLN A 35 -11.456 -1.267 -8.052 1.00 1.00 C ATOM 523 OE1 GLN A 35 -10.902 -0.408 -7.239 1.00 1.00 O flip ATOM 524 NE2 GLN A 35 -12.684 -1.335 -8.137 1.00 1.00 N flip ATOM 0 H GLN A 35 -8.352 -2.556 -10.372 1.00 1.00 H new ATOM 0 HA GLN A 35 -9.727 -0.514 -11.785 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -11.663 -1.332 -10.557 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -10.682 -2.720 -10.984 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -10.863 -3.221 -8.739 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -9.535 -2.088 -8.577 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -13.115 -2.006 -8.773 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -13.269 -0.720 -7.572 1.00 1.00 H new ATOM 533 N TYR A 36 -8.700 0.199 -8.776 1.00 1.00 N ATOM 534 CA TYR A 36 -8.586 1.282 -7.806 1.00 1.00 C ATOM 535 C TYR A 36 -7.875 2.478 -8.427 1.00 1.00 C ATOM 536 O TYR A 36 -8.488 3.517 -8.659 1.00 1.00 O ATOM 537 CB TYR A 36 -7.805 0.804 -6.582 1.00 1.00 C ATOM 538 CG TYR A 36 -8.765 0.251 -5.557 1.00 1.00 C ATOM 539 CD1 TYR A 36 -9.568 1.122 -4.811 1.00 1.00 C ATOM 540 CD2 TYR A 36 -8.853 -1.131 -5.353 1.00 1.00 C ATOM 541 CE1 TYR A 36 -10.457 0.611 -3.859 1.00 1.00 C ATOM 542 CE2 TYR A 36 -9.744 -1.642 -4.401 1.00 1.00 C ATOM 543 CZ TYR A 36 -10.545 -0.772 -3.654 1.00 1.00 C ATOM 544 OH TYR A 36 -11.423 -1.275 -2.716 1.00 1.00 O ATOM 0 H TYR A 36 -8.119 -0.616 -8.579 1.00 1.00 H new ATOM 0 HA TYR A 36 -9.589 1.583 -7.503 1.00 1.00 H new ATOM 0 HB2 TYR A 36 -7.086 0.038 -6.873 1.00 1.00 H new ATOM 0 HB3 TYR A 36 -7.236 1.630 -6.155 1.00 1.00 H new ATOM 0 HD1 TYR A 36 -9.501 2.188 -4.970 1.00 1.00 H new ATOM 0 HD2 TYR A 36 -8.234 -1.803 -5.929 1.00 1.00 H new ATOM 0 HE1 TYR A 36 -11.075 1.283 -3.282 1.00 1.00 H new ATOM 0 HE2 TYR A 36 -9.813 -2.708 -4.244 1.00 1.00 H new ATOM 0 HH TYR A 36 -11.360 -2.253 -2.700 1.00 1.00 H new ATOM 554 N ALA A 37 -6.585 2.318 -8.701 1.00 1.00 N ATOM 555 CA ALA A 37 -5.796 3.390 -9.304 1.00 1.00 C ATOM 556 C ALA A 37 -6.604 4.120 -10.372 1.00 1.00 C ATOM 557 O ALA A 37 -6.504 5.338 -10.517 1.00 1.00 O ATOM 558 CB ALA A 37 -4.528 2.811 -9.934 1.00 1.00 C ATOM 0 H ALA A 37 -6.064 1.461 -8.517 1.00 1.00 H new ATOM 0 HA ALA A 37 -5.527 4.099 -8.521 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -3.944 3.615 -10.382 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -3.934 2.315 -9.166 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -4.801 2.089 -10.704 1.00 1.00 H new ATOM 564 N GLN A 38 -7.405 3.366 -11.113 1.00 1.00 N ATOM 565 CA GLN A 38 -8.228 3.945 -12.166 1.00 1.00 C ATOM 566 C GLN A 38 -9.004 5.150 -11.642 1.00 1.00 C ATOM 567 O GLN A 38 -9.164 6.151 -12.339 1.00 1.00 O ATOM 568 CB GLN A 38 -9.208 2.893 -12.690 1.00 1.00 C ATOM 569 CG GLN A 38 -8.799 2.461 -14.096 1.00 1.00 C ATOM 570 CD GLN A 38 -8.993 3.611 -15.076 1.00 1.00 C ATOM 571 OE1 GLN A 38 -9.856 4.464 -14.875 1.00 1.00 O ATOM 572 NE2 GLN A 38 -8.231 3.685 -16.134 1.00 1.00 N ATOM 0 H GLN A 38 -7.502 2.356 -11.005 1.00 1.00 H new ATOM 0 HA GLN A 38 -7.576 4.275 -12.975 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -9.221 2.030 -12.024 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -10.219 3.300 -12.704 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -7.756 2.144 -14.098 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -9.394 1.603 -14.408 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -7.516 2.976 -16.298 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -8.351 4.452 -16.796 1.00 1.00 H new ATOM 581 N LEU A 39 -9.490 5.042 -10.409 1.00 1.00 N ATOM 582 CA LEU A 39 -10.255 6.123 -9.799 1.00 1.00 C ATOM 583 C LEU A 39 -9.406 7.387 -9.666 1.00 1.00 C ATOM 584 O LEU A 39 -9.928 8.500 -9.710 1.00 1.00 O ATOM 585 CB LEU A 39 -10.759 5.690 -8.418 1.00 1.00 C ATOM 586 CG LEU A 39 -11.958 4.749 -8.578 1.00 1.00 C ATOM 587 CD1 LEU A 39 -12.044 3.815 -7.370 1.00 1.00 C ATOM 588 CD2 LEU A 39 -13.250 5.567 -8.670 1.00 1.00 C ATOM 0 H LEU A 39 -9.368 4.221 -9.816 1.00 1.00 H new ATOM 0 HA LEU A 39 -11.105 6.346 -10.444 1.00 1.00 H new ATOM 0 HB2 LEU A 39 -9.961 5.189 -7.870 1.00 1.00 H new ATOM 0 HB3 LEU A 39 -11.046 6.565 -7.834 1.00 1.00 H new ATOM 0 HG LEU A 39 -11.830 4.163 -9.488 1.00 1.00 H new ATOM 0 HD11 LEU A 39 -12.897 3.147 -7.487 1.00 1.00 H new ATOM 0 HD12 LEU A 39 -11.129 3.226 -7.299 1.00 1.00 H new ATOM 0 HD13 LEU A 39 -12.166 4.405 -6.462 1.00 1.00 H new ATOM 0 HD21 LEU A 39 -14.100 4.894 -8.784 1.00 1.00 H new ATOM 0 HD22 LEU A 39 -13.373 6.156 -7.761 1.00 1.00 H new ATOM 0 HD23 LEU A 39 -13.198 6.234 -9.531 1.00 1.00 H new ATOM 600 N TYR A 40 -8.096 7.211 -9.509 1.00 1.00 N ATOM 601 CA TYR A 40 -7.194 8.353 -9.378 1.00 1.00 C ATOM 602 C TYR A 40 -7.345 9.285 -10.573 1.00 1.00 C ATOM 603 O TYR A 40 -7.682 10.458 -10.417 1.00 1.00 O ATOM 604 CB TYR A 40 -5.746 7.871 -9.278 1.00 1.00 C ATOM 605 CG TYR A 40 -4.844 9.039 -8.951 1.00 1.00 C ATOM 606 CD1 TYR A 40 -4.945 9.673 -7.707 1.00 1.00 C ATOM 607 CD2 TYR A 40 -3.907 9.485 -9.890 1.00 1.00 C ATOM 608 CE1 TYR A 40 -4.108 10.753 -7.402 1.00 1.00 C ATOM 609 CE2 TYR A 40 -3.069 10.565 -9.585 1.00 1.00 C ATOM 610 CZ TYR A 40 -3.170 11.199 -8.342 1.00 1.00 C ATOM 611 OH TYR A 40 -2.345 12.263 -8.040 1.00 1.00 O ATOM 0 H TYR A 40 -7.639 6.300 -9.470 1.00 1.00 H new ATOM 0 HA TYR A 40 -7.453 8.897 -8.470 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -5.660 7.105 -8.507 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -5.439 7.413 -10.218 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -5.668 9.329 -6.983 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -3.830 8.996 -10.850 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -4.185 11.242 -6.442 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -2.345 10.908 -10.309 1.00 1.00 H new ATOM 0 HH TYR A 40 -1.753 12.444 -8.800 1.00 1.00 H new ATOM 621 N GLU A 41 -7.094 8.759 -11.765 1.00 1.00 N ATOM 622 CA GLU A 41 -7.211 9.560 -12.977 1.00 1.00 C ATOM 623 C GLU A 41 -8.475 10.413 -12.928 1.00 1.00 C ATOM 624 O GLU A 41 -8.500 11.533 -13.435 1.00 1.00 O ATOM 625 CB GLU A 41 -7.254 8.648 -14.204 1.00 1.00 C ATOM 626 CG GLU A 41 -5.979 7.805 -14.257 1.00 1.00 C ATOM 627 CD GLU A 41 -6.301 6.350 -13.933 1.00 1.00 C ATOM 628 OE1 GLU A 41 -6.971 5.720 -14.734 1.00 1.00 O ATOM 629 OE2 GLU A 41 -5.872 5.886 -12.889 1.00 1.00 O ATOM 0 H GLU A 41 -6.811 7.791 -11.918 1.00 1.00 H new ATOM 0 HA GLU A 41 -6.343 10.216 -13.046 1.00 1.00 H new ATOM 0 HB2 GLU A 41 -8.129 8.000 -14.159 1.00 1.00 H new ATOM 0 HB3 GLU A 41 -7.346 9.245 -15.111 1.00 1.00 H new ATOM 0 HG2 GLU A 41 -5.528 7.874 -15.247 1.00 1.00 H new ATOM 0 HG3 GLU A 41 -5.248 8.191 -13.546 1.00 1.00 H new ATOM 636 N ASP A 42 -9.524 9.872 -12.313 1.00 1.00 N ATOM 637 CA ASP A 42 -10.789 10.589 -12.200 1.00 1.00 C ATOM 638 C ASP A 42 -10.770 11.524 -10.994 1.00 1.00 C ATOM 639 O ASP A 42 -11.485 12.526 -10.964 1.00 1.00 O ATOM 640 CB ASP A 42 -11.939 9.591 -12.054 1.00 1.00 C ATOM 641 CG ASP A 42 -13.105 9.998 -12.947 1.00 1.00 C ATOM 642 OD1 ASP A 42 -13.317 11.189 -13.108 1.00 1.00 O ATOM 643 OD2 ASP A 42 -13.770 9.112 -13.457 1.00 1.00 O ATOM 0 H ASP A 42 -9.523 8.945 -11.888 1.00 1.00 H new ATOM 0 HA ASP A 42 -10.932 11.183 -13.103 1.00 1.00 H new ATOM 0 HB2 ASP A 42 -11.598 8.591 -12.321 1.00 1.00 H new ATOM 0 HB3 ASP A 42 -12.265 9.550 -11.015 1.00 1.00 H new ATOM 648 N SER A 43 -9.950 11.188 -10.005 1.00 1.00 N ATOM 649 CA SER A 43 -9.839 12.000 -8.797 1.00 1.00 C ATOM 650 C SER A 43 -10.984 11.696 -7.835 1.00 1.00 C ATOM 651 O SER A 43 -11.336 12.526 -6.996 1.00 1.00 O ATOM 652 CB SER A 43 -9.852 13.485 -9.158 1.00 1.00 C ATOM 653 OG SER A 43 -9.333 13.655 -10.470 1.00 1.00 O ATOM 0 H SER A 43 -9.353 10.361 -10.015 1.00 1.00 H new ATOM 0 HA SER A 43 -8.896 11.756 -8.308 1.00 1.00 H new ATOM 0 HB2 SER A 43 -10.868 13.875 -9.103 1.00 1.00 H new ATOM 0 HB3 SER A 43 -9.255 14.050 -8.442 1.00 1.00 H new ATOM 0 HG SER A 43 -10.071 13.671 -11.114 1.00 1.00 H new ATOM 659 N GLN A 44 -11.558 10.502 -7.960 1.00 1.00 N ATOM 660 CA GLN A 44 -12.660 10.095 -7.095 1.00 1.00 C ATOM 661 C GLN A 44 -12.199 9.013 -6.122 1.00 1.00 C ATOM 662 O GLN A 44 -12.966 8.122 -5.759 1.00 1.00 O ATOM 663 CB GLN A 44 -13.820 9.562 -7.938 1.00 1.00 C ATOM 664 CG GLN A 44 -14.247 10.622 -8.955 1.00 1.00 C ATOM 665 CD GLN A 44 -15.643 11.133 -8.616 1.00 1.00 C ATOM 666 OE1 GLN A 44 -15.814 12.308 -8.294 1.00 1.00 O ATOM 667 NE2 GLN A 44 -16.659 10.315 -8.671 1.00 1.00 N ATOM 0 H GLN A 44 -11.279 9.803 -8.649 1.00 1.00 H new ATOM 0 HA GLN A 44 -12.994 10.965 -6.529 1.00 1.00 H new ATOM 0 HB2 GLN A 44 -13.519 8.650 -8.453 1.00 1.00 H new ATOM 0 HB3 GLN A 44 -14.660 9.302 -7.295 1.00 1.00 H new ATOM 0 HG2 GLN A 44 -13.537 11.449 -8.952 1.00 1.00 H new ATOM 0 HG3 GLN A 44 -14.239 10.199 -9.960 1.00 1.00 H new ATOM 0 HE21 GLN A 44 -16.516 9.341 -8.938 1.00 1.00 H new ATOM 0 HE22 GLN A 44 -17.596 10.650 -8.447 1.00 1.00 H new ATOM 676 N PHE A 45 -10.940 9.098 -5.710 1.00 1.00 N ATOM 677 CA PHE A 45 -10.376 8.123 -4.783 1.00 1.00 C ATOM 678 C PHE A 45 -11.036 8.203 -3.421 1.00 1.00 C ATOM 679 O PHE A 45 -11.301 7.173 -2.801 1.00 1.00 O ATOM 680 CB PHE A 45 -8.873 8.353 -4.629 1.00 1.00 C ATOM 681 CG PHE A 45 -8.122 7.131 -5.097 1.00 1.00 C ATOM 682 CD1 PHE A 45 -8.105 6.804 -6.458 1.00 1.00 C ATOM 683 CD2 PHE A 45 -7.433 6.332 -4.176 1.00 1.00 C ATOM 684 CE1 PHE A 45 -7.399 5.678 -6.898 1.00 1.00 C ATOM 685 CE2 PHE A 45 -6.728 5.206 -4.616 1.00 1.00 C ATOM 686 CZ PHE A 45 -6.710 4.879 -5.977 1.00 1.00 C ATOM 0 H PHE A 45 -10.291 9.829 -6.002 1.00 1.00 H new ATOM 0 HA PHE A 45 -10.560 7.132 -5.197 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -8.567 9.224 -5.209 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -8.632 8.563 -3.587 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -8.636 7.420 -7.168 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -7.446 6.585 -3.126 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -7.386 5.425 -7.948 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -6.198 4.589 -3.905 1.00 1.00 H new ATOM 0 HZ PHE A 45 -6.165 4.011 -6.317 1.00 1.00 H new ATOM 696 N PRO A 46 -11.299 9.379 -2.925 1.00 1.00 N ATOM 697 CA PRO A 46 -11.929 9.520 -1.593 1.00 1.00 C ATOM 698 C PRO A 46 -13.266 8.794 -1.546 1.00 1.00 C ATOM 699 O PRO A 46 -14.210 9.163 -2.241 1.00 1.00 O ATOM 700 CB PRO A 46 -12.110 11.033 -1.418 1.00 1.00 C ATOM 701 CG PRO A 46 -11.200 11.673 -2.416 1.00 1.00 C ATOM 702 CD PRO A 46 -11.033 10.675 -3.560 1.00 1.00 C ATOM 0 HA PRO A 46 -11.327 9.083 -0.796 1.00 1.00 H new ATOM 0 HB2 PRO A 46 -13.146 11.325 -1.591 1.00 1.00 H new ATOM 0 HB3 PRO A 46 -11.856 11.342 -0.404 1.00 1.00 H new ATOM 0 HG2 PRO A 46 -11.621 12.611 -2.779 1.00 1.00 H new ATOM 0 HG3 PRO A 46 -10.236 11.910 -1.965 1.00 1.00 H new ATOM 0 HD2 PRO A 46 -11.732 10.875 -4.372 1.00 1.00 H new ATOM 0 HD3 PRO A 46 -10.030 10.716 -3.985 1.00 1.00 H new ATOM 710 N ILE A 47 -13.324 7.764 -0.712 1.00 1.00 N ATOM 711 CA ILE A 47 -14.535 6.961 -0.550 1.00 1.00 C ATOM 712 C ILE A 47 -14.476 6.201 0.771 1.00 1.00 C ATOM 713 O ILE A 47 -13.496 6.300 1.510 1.00 1.00 O ATOM 714 CB ILE A 47 -14.681 5.947 -1.698 1.00 1.00 C ATOM 715 CG1 ILE A 47 -13.406 5.091 -1.795 1.00 1.00 C ATOM 716 CG2 ILE A 47 -14.929 6.682 -3.020 1.00 1.00 C ATOM 717 CD1 ILE A 47 -13.208 4.597 -3.230 1.00 1.00 C ATOM 0 H ILE A 47 -12.542 7.461 -0.132 1.00 1.00 H new ATOM 0 HA ILE A 47 -15.391 7.635 -0.560 1.00 1.00 H new ATOM 0 HB ILE A 47 -15.532 5.296 -1.498 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -12.542 5.677 -1.482 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -13.478 4.241 -1.117 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -15.031 5.956 -3.826 1.00 1.00 H new ATOM 0 HG22 ILE A 47 -15.844 7.270 -2.943 1.00 1.00 H new ATOM 0 HG23 ILE A 47 -14.089 7.344 -3.232 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -12.303 3.993 -3.285 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -14.065 3.994 -3.529 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -13.115 5.452 -3.900 1.00 1.00 H new ATOM 729 N ASN A 48 -15.521 5.434 1.058 1.00 1.00 N ATOM 730 CA ASN A 48 -15.564 4.654 2.288 1.00 1.00 C ATOM 731 C ASN A 48 -14.514 3.547 2.245 1.00 1.00 C ATOM 732 O ASN A 48 -14.761 2.469 1.705 1.00 1.00 O ATOM 733 CB ASN A 48 -16.952 4.037 2.467 1.00 1.00 C ATOM 734 CG ASN A 48 -17.104 3.491 3.882 1.00 1.00 C ATOM 735 OD1 ASN A 48 -16.100 3.562 4.712 1.00 1.00 O flip ATOM 736 ND2 ASN A 48 -18.169 2.988 4.241 1.00 1.00 N flip ATOM 0 H ASN A 48 -16.343 5.336 0.462 1.00 1.00 H new ATOM 0 HA ASN A 48 -15.352 5.315 3.129 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -17.719 4.787 2.274 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -17.099 3.236 1.742 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -18.952 2.934 3.590 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -18.268 2.626 5.189 1.00 1.00 H new ATOM 743 N ILE A 49 -13.345 3.822 2.813 1.00 1.00 N ATOM 744 CA ILE A 49 -12.262 2.842 2.830 1.00 1.00 C ATOM 745 C ILE A 49 -12.729 1.532 3.457 1.00 1.00 C ATOM 746 O ILE A 49 -12.475 0.451 2.930 1.00 1.00 O ATOM 747 CB ILE A 49 -11.073 3.390 3.618 1.00 1.00 C ATOM 748 CG1 ILE A 49 -10.465 4.574 2.859 1.00 1.00 C ATOM 749 CG2 ILE A 49 -10.019 2.289 3.777 1.00 1.00 C ATOM 750 CD1 ILE A 49 -9.435 5.285 3.741 1.00 1.00 C ATOM 0 H ILE A 49 -13.122 4.709 3.265 1.00 1.00 H new ATOM 0 HA ILE A 49 -11.959 2.650 1.801 1.00 1.00 H new ATOM 0 HB ILE A 49 -11.405 3.720 4.602 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -9.992 4.225 1.942 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -11.250 5.272 2.567 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -9.169 2.677 4.339 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -10.453 1.445 4.312 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -9.684 1.961 2.793 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -9.007 6.126 3.195 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -9.921 5.650 4.646 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -8.643 4.586 4.011 1.00 1.00 H new ATOM 762 N VAL A 50 -13.405 1.639 4.592 1.00 1.00 N ATOM 763 CA VAL A 50 -13.897 0.456 5.291 1.00 1.00 C ATOM 764 C VAL A 50 -14.702 -0.438 4.351 1.00 1.00 C ATOM 765 O VAL A 50 -14.541 -1.658 4.351 1.00 1.00 O ATOM 766 CB VAL A 50 -14.771 0.879 6.471 1.00 1.00 C ATOM 767 CG1 VAL A 50 -15.039 -0.333 7.367 1.00 1.00 C ATOM 768 CG2 VAL A 50 -14.047 1.958 7.280 1.00 1.00 C ATOM 0 H VAL A 50 -13.625 2.525 5.047 1.00 1.00 H new ATOM 0 HA VAL A 50 -13.039 -0.109 5.654 1.00 1.00 H new ATOM 0 HB VAL A 50 -15.717 1.274 6.100 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -15.662 -0.032 8.209 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -15.553 -1.104 6.792 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -14.093 -0.727 7.738 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -14.670 2.261 8.122 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -13.102 1.562 7.651 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -13.853 2.821 6.643 1.00 1.00 H new ATOM 778 N ALA A 51 -15.601 0.170 3.585 1.00 1.00 N ATOM 779 CA ALA A 51 -16.457 -0.587 2.675 1.00 1.00 C ATOM 780 C ALA A 51 -15.697 -1.114 1.455 1.00 1.00 C ATOM 781 O ALA A 51 -15.553 -2.322 1.286 1.00 1.00 O ATOM 782 CB ALA A 51 -17.609 0.298 2.203 1.00 1.00 C ATOM 0 H ALA A 51 -15.757 1.178 3.575 1.00 1.00 H new ATOM 0 HA ALA A 51 -16.832 -1.449 3.227 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -18.247 -0.267 1.524 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -18.193 0.624 3.063 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -17.209 1.169 1.684 1.00 1.00 H new ATOM 788 N VAL A 52 -15.251 -0.210 0.589 1.00 1.00 N ATOM 789 CA VAL A 52 -14.552 -0.611 -0.636 1.00 1.00 C ATOM 790 C VAL A 52 -13.622 -1.801 -0.398 1.00 1.00 C ATOM 791 O VAL A 52 -13.703 -2.805 -1.105 1.00 1.00 O ATOM 792 CB VAL A 52 -13.757 0.563 -1.215 1.00 1.00 C ATOM 793 CG1 VAL A 52 -14.708 1.707 -1.573 1.00 1.00 C ATOM 794 CG2 VAL A 52 -12.743 1.053 -0.186 1.00 1.00 C ATOM 0 H VAL A 52 -15.358 0.798 0.707 1.00 1.00 H new ATOM 0 HA VAL A 52 -15.313 -0.917 -1.353 1.00 1.00 H new ATOM 0 HB VAL A 52 -13.235 0.232 -2.113 1.00 1.00 H new ATOM 0 HG11 VAL A 52 -14.137 2.539 -1.984 1.00 1.00 H new ATOM 0 HG12 VAL A 52 -15.430 1.362 -2.313 1.00 1.00 H new ATOM 0 HG13 VAL A 52 -15.235 2.036 -0.677 1.00 1.00 H new ATOM 0 HG21 VAL A 52 -12.179 1.888 -0.601 1.00 1.00 H new ATOM 0 HG22 VAL A 52 -13.266 1.379 0.713 1.00 1.00 H new ATOM 0 HG23 VAL A 52 -12.059 0.242 0.065 1.00 1.00 H new ATOM 804 N LYS A 53 -12.733 -1.686 0.579 1.00 1.00 N ATOM 805 CA LYS A 53 -11.794 -2.768 0.865 1.00 1.00 C ATOM 806 C LYS A 53 -12.527 -4.044 1.261 1.00 1.00 C ATOM 807 O LYS A 53 -12.203 -5.131 0.785 1.00 1.00 O ATOM 808 CB LYS A 53 -10.844 -2.344 1.980 1.00 1.00 C ATOM 809 CG LYS A 53 -11.553 -2.409 3.333 1.00 1.00 C ATOM 810 CD LYS A 53 -10.723 -1.663 4.379 1.00 1.00 C ATOM 811 CE LYS A 53 -10.947 -2.290 5.756 1.00 1.00 C ATOM 812 NZ LYS A 53 -10.706 -1.267 6.811 1.00 1.00 N ATOM 0 H LYS A 53 -12.640 -0.868 1.181 1.00 1.00 H new ATOM 0 HA LYS A 53 -11.224 -2.975 -0.041 1.00 1.00 H new ATOM 0 HB2 LYS A 53 -9.969 -2.994 1.988 1.00 1.00 H new ATOM 0 HB3 LYS A 53 -10.487 -1.331 1.797 1.00 1.00 H new ATOM 0 HG2 LYS A 53 -12.546 -1.966 3.257 1.00 1.00 H new ATOM 0 HG3 LYS A 53 -11.690 -3.447 3.635 1.00 1.00 H new ATOM 0 HD2 LYS A 53 -9.666 -1.706 4.117 1.00 1.00 H new ATOM 0 HD3 LYS A 53 -11.005 -0.610 4.398 1.00 1.00 H new ATOM 0 HE2 LYS A 53 -11.964 -2.674 5.832 1.00 1.00 H new ATOM 0 HE3 LYS A 53 -10.276 -3.137 5.895 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 -10.247 -1.714 7.630 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 -10.089 -0.519 6.435 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 -11.613 -0.852 7.106 1.00 1.00 H new ATOM 969 N LEU A 63 -3.097 -8.592 2.033 1.00 1.00 N ATOM 970 CA LEU A 63 -3.041 -7.698 0.883 1.00 1.00 C ATOM 971 C LEU A 63 -4.145 -6.646 0.965 1.00 1.00 C ATOM 972 O LEU A 63 -4.244 -5.769 0.107 1.00 1.00 O ATOM 973 CB LEU A 63 -3.192 -8.505 -0.408 1.00 1.00 C ATOM 974 CG LEU A 63 -1.832 -8.624 -1.100 1.00 1.00 C ATOM 975 CD1 LEU A 63 -1.931 -9.630 -2.246 1.00 1.00 C ATOM 976 CD2 LEU A 63 -1.414 -7.260 -1.657 1.00 1.00 C ATOM 0 HA LEU A 63 -2.076 -7.191 0.884 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -3.586 -9.497 -0.185 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -3.908 -8.019 -1.071 1.00 1.00 H new ATOM 0 HG LEU A 63 -1.089 -8.963 -0.378 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -0.963 -9.716 -2.740 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -2.225 -10.603 -1.852 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -2.676 -9.290 -2.965 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -0.445 -7.349 -2.149 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -2.157 -6.918 -2.378 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -1.342 -6.540 -0.841 1.00 1.00 H new ATOM 988 N VAL A 64 -4.972 -6.743 2.002 1.00 1.00 N ATOM 989 CA VAL A 64 -6.065 -5.793 2.185 1.00 1.00 C ATOM 990 C VAL A 64 -5.626 -4.595 3.028 1.00 1.00 C ATOM 991 O VAL A 64 -6.017 -3.461 2.750 1.00 1.00 O ATOM 992 CB VAL A 64 -7.251 -6.481 2.858 1.00 1.00 C ATOM 993 CG1 VAL A 64 -8.346 -5.450 3.138 1.00 1.00 C ATOM 994 CG2 VAL A 64 -7.800 -7.569 1.931 1.00 1.00 C ATOM 0 H VAL A 64 -4.908 -7.462 2.722 1.00 1.00 H new ATOM 0 HA VAL A 64 -6.360 -5.432 1.200 1.00 1.00 H new ATOM 0 HB VAL A 64 -6.927 -6.931 3.796 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -9.193 -5.940 3.618 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -7.955 -4.674 3.796 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -8.671 -5.001 2.200 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -8.647 -8.061 2.409 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -8.125 -7.118 0.993 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -7.020 -8.303 1.730 1.00 1.00 H new ATOM 1004 N GLU A 65 -4.831 -4.846 4.067 1.00 1.00 N ATOM 1005 CA GLU A 65 -4.376 -3.764 4.937 1.00 1.00 C ATOM 1006 C GLU A 65 -3.587 -2.722 4.144 1.00 1.00 C ATOM 1007 O GLU A 65 -3.874 -1.528 4.234 1.00 1.00 O ATOM 1008 CB GLU A 65 -3.526 -4.317 6.086 1.00 1.00 C ATOM 1009 CG GLU A 65 -4.209 -4.015 7.422 1.00 1.00 C ATOM 1010 CD GLU A 65 -4.218 -2.509 7.669 1.00 1.00 C ATOM 1011 OE1 GLU A 65 -3.150 -1.920 7.639 1.00 1.00 O ATOM 1012 OE2 GLU A 65 -5.291 -1.969 7.877 1.00 1.00 O ATOM 0 H GLU A 65 -4.493 -5.774 4.324 1.00 1.00 H new ATOM 0 HA GLU A 65 -5.255 -3.278 5.359 1.00 1.00 H new ATOM 0 HB2 GLU A 65 -3.394 -5.393 5.969 1.00 1.00 H new ATOM 0 HB3 GLU A 65 -2.532 -3.869 6.065 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -5.230 -4.398 7.414 1.00 1.00 H new ATOM 0 HG3 GLU A 65 -3.685 -4.523 8.232 1.00 1.00 H new ATOM 1019 N PRO A 66 -2.619 -3.135 3.362 1.00 1.00 N ATOM 1020 CA PRO A 66 -1.815 -2.188 2.538 1.00 1.00 C ATOM 1021 C PRO A 66 -2.706 -1.379 1.604 1.00 1.00 C ATOM 1022 O PRO A 66 -2.477 -0.192 1.378 1.00 1.00 O ATOM 1023 CB PRO A 66 -0.869 -3.085 1.733 1.00 1.00 C ATOM 1024 CG PRO A 66 -0.867 -4.410 2.417 1.00 1.00 C ATOM 1025 CD PRO A 66 -2.189 -4.528 3.172 1.00 1.00 C ATOM 0 HA PRO A 66 -1.282 -1.463 3.154 1.00 1.00 H new ATOM 0 HB2 PRO A 66 -1.207 -3.180 0.701 1.00 1.00 H new ATOM 0 HB3 PRO A 66 0.135 -2.662 1.701 1.00 1.00 H new ATOM 0 HG2 PRO A 66 -0.764 -5.217 1.692 1.00 1.00 H new ATOM 0 HG3 PRO A 66 -0.023 -4.488 3.103 1.00 1.00 H new ATOM 0 HD2 PRO A 66 -2.924 -5.098 2.603 1.00 1.00 H new ATOM 0 HD3 PRO A 66 -2.059 -5.039 4.126 1.00 1.00 H new ATOM 1033 N LEU A 67 -3.730 -2.038 1.071 1.00 1.00 N ATOM 1034 CA LEU A 67 -4.665 -1.386 0.165 1.00 1.00 C ATOM 1035 C LEU A 67 -5.304 -0.175 0.838 1.00 1.00 C ATOM 1036 O LEU A 67 -5.438 0.886 0.230 1.00 1.00 O ATOM 1037 CB LEU A 67 -5.755 -2.378 -0.250 1.00 1.00 C ATOM 1038 CG LEU A 67 -6.585 -1.784 -1.388 1.00 1.00 C ATOM 1039 CD1 LEU A 67 -6.220 -2.477 -2.700 1.00 1.00 C ATOM 1040 CD2 LEU A 67 -8.070 -2.002 -1.094 1.00 1.00 C ATOM 0 H LEU A 67 -3.932 -3.021 1.251 1.00 1.00 H new ATOM 0 HA LEU A 67 -4.121 -1.050 -0.718 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -5.303 -3.318 -0.568 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -6.397 -2.605 0.601 1.00 1.00 H new ATOM 0 HG LEU A 67 -6.380 -0.717 -1.473 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -6.812 -2.054 -3.512 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -5.160 -2.328 -2.907 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -6.427 -3.544 -2.618 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -8.667 -1.580 -1.903 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -8.272 -3.070 -1.013 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -8.331 -1.511 -0.156 1.00 1.00 H new ATOM 1052 N CYS A 68 -5.690 -0.343 2.098 1.00 1.00 N ATOM 1053 CA CYS A 68 -6.308 0.745 2.847 1.00 1.00 C ATOM 1054 C CYS A 68 -5.308 1.876 3.060 1.00 1.00 C ATOM 1055 O CYS A 68 -5.687 3.013 3.335 1.00 1.00 O ATOM 1056 CB CYS A 68 -6.801 0.232 4.201 1.00 1.00 C ATOM 1057 SG CYS A 68 -5.689 0.811 5.507 1.00 1.00 S ATOM 0 H CYS A 68 -5.587 -1.214 2.619 1.00 1.00 H new ATOM 0 HA CYS A 68 -7.155 1.125 2.275 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -7.815 0.586 4.389 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -6.839 -0.857 4.197 1.00 1.00 H new ATOM 0 HG CYS A 68 -4.601 0.100 5.497 1.00 1.00 H new ATOM 1063 N ARG A 69 -4.026 1.550 2.930 1.00 1.00 N ATOM 1064 CA ARG A 69 -2.972 2.542 3.107 1.00 1.00 C ATOM 1065 C ARG A 69 -2.816 3.386 1.846 1.00 1.00 C ATOM 1066 O ARG A 69 -2.736 4.611 1.913 1.00 1.00 O ATOM 1067 CB ARG A 69 -1.649 1.841 3.419 1.00 1.00 C ATOM 1068 CG ARG A 69 -1.139 2.294 4.789 1.00 1.00 C ATOM 1069 CD ARG A 69 0.232 1.672 5.054 1.00 1.00 C ATOM 1070 NE ARG A 69 0.280 0.315 4.521 1.00 1.00 N ATOM 1071 CZ ARG A 69 1.432 -0.252 4.180 1.00 1.00 C ATOM 1072 NH1 ARG A 69 2.552 0.401 4.334 1.00 1.00 N ATOM 1073 NH2 ARG A 69 1.445 -1.462 3.689 1.00 1.00 N ATOM 0 H ARG A 69 -3.693 0.613 2.704 1.00 1.00 H new ATOM 0 HA ARG A 69 -3.245 3.195 3.936 1.00 1.00 H new ATOM 0 HB2 ARG A 69 -1.788 0.760 3.411 1.00 1.00 H new ATOM 0 HB3 ARG A 69 -0.912 2.074 2.650 1.00 1.00 H new ATOM 0 HG2 ARG A 69 -1.069 3.381 4.822 1.00 1.00 H new ATOM 0 HG3 ARG A 69 -1.842 1.996 5.567 1.00 1.00 H new ATOM 0 HD2 ARG A 69 1.011 2.280 4.593 1.00 1.00 H new ATOM 0 HD3 ARG A 69 0.432 1.657 6.125 1.00 1.00 H new ATOM 0 HE ARG A 69 -0.588 -0.209 4.408 1.00 1.00 H new ATOM 0 HH11 ARG A 69 2.543 1.347 4.716 1.00 1.00 H new ATOM 0 HH12 ARG A 69 3.436 -0.034 4.072 1.00 1.00 H new ATOM 0 HH21 ARG A 69 0.570 -1.972 3.567 1.00 1.00 H new ATOM 0 HH22 ARG A 69 2.330 -1.897 3.427 1.00 1.00 H new ATOM 1087 N ARG A 70 -2.774 2.718 0.696 1.00 1.00 N ATOM 1088 CA ARG A 70 -2.627 3.418 -0.574 1.00 1.00 C ATOM 1089 C ARG A 70 -3.887 4.211 -0.900 1.00 1.00 C ATOM 1090 O ARG A 70 -3.833 5.199 -1.634 1.00 1.00 O ATOM 1091 CB ARG A 70 -2.340 2.418 -1.701 1.00 1.00 C ATOM 1092 CG ARG A 70 -1.220 1.451 -1.293 1.00 1.00 C ATOM 1093 CD ARG A 70 -0.069 2.209 -0.622 1.00 1.00 C ATOM 1094 NE ARG A 70 1.116 1.363 -0.550 1.00 1.00 N ATOM 1095 CZ ARG A 70 1.193 0.359 0.319 1.00 1.00 C ATOM 1096 NH1 ARG A 70 0.197 0.119 1.128 1.00 1.00 N ATOM 1097 NH2 ARG A 70 2.264 -0.384 0.364 1.00 1.00 N ATOM 0 H ARG A 70 -2.839 1.703 0.618 1.00 1.00 H new ATOM 0 HA ARG A 70 -1.789 4.110 -0.486 1.00 1.00 H new ATOM 0 HB2 ARG A 70 -3.245 1.857 -1.936 1.00 1.00 H new ATOM 0 HB3 ARG A 70 -2.053 2.954 -2.606 1.00 1.00 H new ATOM 0 HG2 ARG A 70 -1.613 0.698 -0.610 1.00 1.00 H new ATOM 0 HG3 ARG A 70 -0.851 0.922 -2.172 1.00 1.00 H new ATOM 0 HD2 ARG A 70 0.156 3.115 -1.184 1.00 1.00 H new ATOM 0 HD3 ARG A 70 -0.364 2.520 0.380 1.00 1.00 H new ATOM 0 HE ARG A 70 1.900 1.544 -1.177 1.00 1.00 H new ATOM 0 HH11 ARG A 70 -0.640 0.701 1.093 1.00 1.00 H new ATOM 0 HH12 ARG A 70 0.256 -0.651 1.795 1.00 1.00 H new ATOM 0 HH21 ARG A 70 3.043 -0.195 -0.267 1.00 1.00 H new ATOM 0 HH22 ARG A 70 2.323 -1.154 1.030 1.00 1.00 H new ATOM 1111 N LEU A 71 -5.017 3.789 -0.345 1.00 1.00 N ATOM 1112 CA LEU A 71 -6.268 4.496 -0.591 1.00 1.00 C ATOM 1113 C LEU A 71 -6.363 5.721 0.312 1.00 1.00 C ATOM 1114 O LEU A 71 -6.681 6.817 -0.151 1.00 1.00 O ATOM 1115 CB LEU A 71 -7.465 3.575 -0.351 1.00 1.00 C ATOM 1116 CG LEU A 71 -7.503 2.487 -1.429 1.00 1.00 C ATOM 1117 CD1 LEU A 71 -8.282 1.286 -0.901 1.00 1.00 C ATOM 1118 CD2 LEU A 71 -8.192 3.013 -2.696 1.00 1.00 C ATOM 0 H LEU A 71 -5.094 2.977 0.267 1.00 1.00 H new ATOM 0 HA LEU A 71 -6.283 4.818 -1.632 1.00 1.00 H new ATOM 0 HB2 LEU A 71 -7.394 3.120 0.637 1.00 1.00 H new ATOM 0 HB3 LEU A 71 -8.390 4.152 -0.370 1.00 1.00 H new ATOM 0 HG LEU A 71 -6.481 2.197 -1.674 1.00 1.00 H new ATOM 0 HD11 LEU A 71 -8.313 0.508 -1.664 1.00 1.00 H new ATOM 0 HD12 LEU A 71 -7.792 0.899 -0.007 1.00 1.00 H new ATOM 0 HD13 LEU A 71 -9.299 1.592 -0.654 1.00 1.00 H new ATOM 0 HD21 LEU A 71 -8.211 2.228 -3.452 1.00 1.00 H new ATOM 0 HD22 LEU A 71 -9.213 3.312 -2.458 1.00 1.00 H new ATOM 0 HD23 LEU A 71 -7.642 3.873 -3.079 1.00 1.00 H new ATOM 1130 N ASN A 72 -6.073 5.537 1.595 1.00 1.00 N ATOM 1131 CA ASN A 72 -6.121 6.648 2.537 1.00 1.00 C ATOM 1132 C ASN A 72 -5.142 7.736 2.113 1.00 1.00 C ATOM 1133 O ASN A 72 -5.273 8.893 2.511 1.00 1.00 O ATOM 1134 CB ASN A 72 -5.774 6.163 3.947 1.00 1.00 C ATOM 1135 CG ASN A 72 -6.307 7.153 4.976 1.00 1.00 C ATOM 1136 OD1 ASN A 72 -7.537 7.579 4.879 1.00 1.00 O flip ATOM 1137 ND2 ASN A 72 -5.583 7.559 5.885 1.00 1.00 N flip ATOM 0 H ASN A 72 -5.806 4.641 2.003 1.00 1.00 H new ATOM 0 HA ASN A 72 -7.131 7.057 2.541 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -6.205 5.177 4.119 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.694 6.061 4.052 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -4.622 7.225 5.959 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -5.944 8.229 6.564 1.00 1.00 H new ATOM 1144 N THR A 73 -4.164 7.355 1.298 1.00 1.00 N ATOM 1145 CA THR A 73 -3.170 8.306 0.817 1.00 1.00 C ATOM 1146 C THR A 73 -3.759 9.169 -0.292 1.00 1.00 C ATOM 1147 O THR A 73 -3.864 10.389 -0.154 1.00 1.00 O ATOM 1148 CB THR A 73 -1.942 7.560 0.287 1.00 1.00 C ATOM 1149 OG1 THR A 73 -1.192 7.052 1.382 1.00 1.00 O ATOM 1150 CG2 THR A 73 -1.075 8.518 -0.530 1.00 1.00 C ATOM 0 H THR A 73 -4.039 6.401 0.959 1.00 1.00 H new ATOM 0 HA THR A 73 -2.872 8.946 1.647 1.00 1.00 H new ATOM 0 HB THR A 73 -2.262 6.734 -0.349 1.00 1.00 H new ATOM 0 HG1 THR A 73 -1.591 6.211 1.690 1.00 1.00 H new ATOM 0 HG21 THR A 73 -0.201 7.986 -0.907 1.00 1.00 H new ATOM 0 HG22 THR A 73 -1.653 8.907 -1.369 1.00 1.00 H new ATOM 0 HG23 THR A 73 -0.752 9.345 0.102 1.00 1.00 H new ATOM 1158 N LEU A 74 -4.151 8.528 -1.388 1.00 1.00 N ATOM 1159 CA LEU A 74 -4.736 9.250 -2.510 1.00 1.00 C ATOM 1160 C LEU A 74 -5.962 10.028 -2.053 1.00 1.00 C ATOM 1161 O LEU A 74 -6.149 11.184 -2.428 1.00 1.00 O ATOM 1162 CB LEU A 74 -5.137 8.268 -3.613 1.00 1.00 C ATOM 1163 CG LEU A 74 -4.096 8.291 -4.734 1.00 1.00 C ATOM 1164 CD1 LEU A 74 -2.705 8.064 -4.145 1.00 1.00 C ATOM 1165 CD2 LEU A 74 -4.410 7.186 -5.743 1.00 1.00 C ATOM 0 H LEU A 74 -4.075 7.520 -1.522 1.00 1.00 H new ATOM 0 HA LEU A 74 -3.994 9.947 -2.899 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -5.221 7.261 -3.203 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -6.117 8.533 -4.009 1.00 1.00 H new ATOM 0 HG LEU A 74 -4.123 9.259 -5.235 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -1.964 8.081 -4.944 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -2.481 8.852 -3.426 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -2.676 7.097 -3.643 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -3.669 7.202 -6.542 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -4.384 6.218 -5.243 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -5.402 7.349 -6.165 1.00 1.00 H new ATOM 1177 N ASN A 75 -6.793 9.388 -1.239 1.00 1.00 N ATOM 1178 CA ASN A 75 -7.997 10.034 -0.733 1.00 1.00 C ATOM 1179 C ASN A 75 -7.661 11.406 -0.156 1.00 1.00 C ATOM 1180 O ASN A 75 -8.514 12.290 -0.090 1.00 1.00 O ATOM 1181 CB ASN A 75 -8.639 9.165 0.351 1.00 1.00 C ATOM 1182 CG ASN A 75 -9.092 7.839 -0.244 1.00 1.00 C ATOM 1183 OD1 ASN A 75 -9.385 7.761 -1.438 1.00 1.00 O ATOM 1184 ND2 ASN A 75 -9.176 6.787 0.522 1.00 1.00 N ATOM 0 H ASN A 75 -6.657 8.430 -0.917 1.00 1.00 H new ATOM 0 HA ASN A 75 -8.697 10.159 -1.559 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -7.926 8.987 1.156 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -9.490 9.686 0.789 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -9.485 5.896 0.133 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -8.933 6.855 1.510 1.00 1.00 H new ATOM 1191 N LYS A 76 -6.411 11.570 0.262 1.00 1.00 N ATOM 1192 CA LYS A 76 -5.965 12.834 0.837 1.00 1.00 C ATOM 1193 C LYS A 76 -5.351 13.730 -0.234 1.00 1.00 C ATOM 1194 O LYS A 76 -5.538 14.946 -0.223 1.00 1.00 O ATOM 1195 CB LYS A 76 -4.928 12.566 1.929 1.00 1.00 C ATOM 1196 CG LYS A 76 -5.475 13.025 3.281 1.00 1.00 C ATOM 1197 CD LYS A 76 -6.715 12.202 3.638 1.00 1.00 C ATOM 1198 CE LYS A 76 -6.478 11.467 4.958 1.00 1.00 C ATOM 1199 NZ LYS A 76 -7.643 10.584 5.251 1.00 1.00 N ATOM 0 H LYS A 76 -5.692 10.848 0.214 1.00 1.00 H new ATOM 0 HA LYS A 76 -6.830 13.341 1.264 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -4.689 11.503 1.964 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -4.002 13.094 1.702 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -4.713 12.907 4.052 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -5.728 14.085 3.242 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -7.585 12.854 3.724 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -6.930 11.486 2.845 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -5.565 10.875 4.898 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -6.340 12.185 5.767 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -7.915 10.688 6.249 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -8.443 10.852 4.644 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -7.384 9.594 5.065 1.00 1.00 H new ATOM 1213 N CYS A 77 -4.614 13.119 -1.155 1.00 1.00 N ATOM 1214 CA CYS A 77 -3.971 13.868 -2.228 1.00 1.00 C ATOM 1215 C CYS A 77 -4.944 14.104 -3.379 1.00 1.00 C ATOM 1216 O CYS A 77 -4.663 14.879 -4.294 1.00 1.00 O ATOM 1217 CB CYS A 77 -2.751 13.099 -2.735 1.00 1.00 C ATOM 1218 SG CYS A 77 -2.146 13.864 -4.261 1.00 1.00 S ATOM 0 H CYS A 77 -4.448 12.113 -1.180 1.00 1.00 H new ATOM 0 HA CYS A 77 -3.656 14.835 -1.835 1.00 1.00 H new ATOM 0 HB2 CYS A 77 -1.966 13.101 -1.979 1.00 1.00 H new ATOM 0 HB3 CYS A 77 -3.015 12.057 -2.918 1.00 1.00 H new ATOM 0 HG CYS A 77 -3.077 14.617 -4.768 1.00 1.00 H new ATOM 1224 N ALA A 78 -6.087 13.432 -3.326 1.00 1.00 N ATOM 1225 CA ALA A 78 -7.099 13.572 -4.366 1.00 1.00 C ATOM 1226 C ALA A 78 -7.853 14.888 -4.205 1.00 1.00 C ATOM 1227 O ALA A 78 -8.524 15.345 -5.131 1.00 1.00 O ATOM 1228 CB ALA A 78 -8.085 12.404 -4.293 1.00 1.00 C ATOM 0 H ALA A 78 -6.336 12.787 -2.577 1.00 1.00 H new ATOM 0 HA ALA A 78 -6.602 13.568 -5.336 1.00 1.00 H new ATOM 0 HB1 ALA A 78 -8.839 12.515 -5.073 1.00 1.00 H new ATOM 0 HB2 ALA A 78 -7.549 11.466 -4.437 1.00 1.00 H new ATOM 0 HB3 ALA A 78 -8.571 12.398 -3.317 1.00 1.00 H new