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 22 LYS NZ :NH3+ -170:sc= -0.988 (180deg=-1.38) USER MOD Set 1.2: A 25 CYS SG : rot 180:sc= -0.289 USER MOD Single : A 35 GLN : amide:sc= -4.14! K(o=-4.1!,f=-5.5) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.102 USER MOD Single : A 38 GLN :FLIP amide:sc= -1.52 F(o=-3.2!,f=-1.5) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.512 K(o=-0.51,f=-3!) USER MOD Single : A 48 ASN :FLIP amide:sc= 0.26 F(o=-7.8!,f=0.26) USER MOD Single : A 53 LYS NZ :NH3+ 169:sc= -4.97! (180deg=-5.17!) USER MOD Single : A 68 CYS SG : rot -68:sc= 1.15 USER MOD Single : A 72 ASN :FLIP amide:sc= -0.0844 F(o=-1.7,f=-0.084) USER MOD Single : A 73 THR OG1 : rot 73:sc= 0.443 USER MOD Single : A 75 ASN : amide:sc= -5.35! C(o=-5.4!,f=-12!) USER MOD Single : A 76 LYS NZ :NH3+ 165:sc= -3.49! (180deg=-3.87!) USER MOD Single : A 77 CYS SG : rot -4:sc= 1 USER MOD ----------------------------------------------------------------- ATOM 293 N GLU A 20 3.789 8.207 -2.023 1.00 1.00 N ATOM 294 CA GLU A 20 2.751 7.221 -1.758 1.00 1.00 C ATOM 295 C GLU A 20 1.646 7.316 -2.806 1.00 1.00 C ATOM 296 O GLU A 20 0.969 6.332 -3.095 1.00 1.00 O ATOM 297 CB GLU A 20 2.163 7.442 -0.364 1.00 1.00 C ATOM 298 CG GLU A 20 3.093 6.830 0.686 1.00 1.00 C ATOM 299 CD GLU A 20 2.620 5.425 1.044 1.00 1.00 C ATOM 300 OE1 GLU A 20 1.729 5.313 1.870 1.00 1.00 O ATOM 301 OE2 GLU A 20 3.153 4.482 0.483 1.00 1.00 O ATOM 0 HA GLU A 20 3.196 6.227 -1.806 1.00 1.00 H new ATOM 0 HB2 GLU A 20 2.037 8.508 -0.176 1.00 1.00 H new ATOM 0 HB3 GLU A 20 1.174 6.988 -0.299 1.00 1.00 H new ATOM 0 HG2 GLU A 20 4.113 6.793 0.303 1.00 1.00 H new ATOM 0 HG3 GLU A 20 3.110 7.456 1.578 1.00 1.00 H new ATOM 308 N ALA A 21 1.470 8.507 -3.371 1.00 1.00 N ATOM 309 CA ALA A 21 0.445 8.713 -4.389 1.00 1.00 C ATOM 310 C ALA A 21 0.816 7.977 -5.671 1.00 1.00 C ATOM 311 O ALA A 21 0.137 7.032 -6.073 1.00 1.00 O ATOM 312 CB ALA A 21 0.285 10.205 -4.686 1.00 1.00 C ATOM 0 H ALA A 21 2.018 9.337 -3.144 1.00 1.00 H new ATOM 0 HA ALA A 21 -0.498 8.319 -4.010 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -0.483 10.344 -5.447 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -0.008 10.728 -3.775 1.00 1.00 H new ATOM 0 HB3 ALA A 21 1.231 10.608 -5.047 1.00 1.00 H new ATOM 318 N LYS A 22 1.896 8.413 -6.311 1.00 1.00 N ATOM 319 CA LYS A 22 2.340 7.780 -7.547 1.00 1.00 C ATOM 320 C LYS A 22 2.484 6.277 -7.345 1.00 1.00 C ATOM 321 O LYS A 22 2.202 5.491 -8.249 1.00 1.00 O ATOM 322 CB LYS A 22 3.679 8.372 -7.992 1.00 1.00 C ATOM 323 CG LYS A 22 3.514 9.075 -9.343 1.00 1.00 C ATOM 324 CD LYS A 22 3.243 8.034 -10.434 1.00 1.00 C ATOM 325 CE LYS A 22 2.072 8.494 -11.305 1.00 1.00 C ATOM 326 NZ LYS A 22 0.797 8.334 -10.551 1.00 1.00 N ATOM 0 H LYS A 22 2.474 9.193 -5.999 1.00 1.00 H new ATOM 0 HA LYS A 22 1.594 7.966 -8.320 1.00 1.00 H new ATOM 0 HB2 LYS A 22 4.040 9.080 -7.246 1.00 1.00 H new ATOM 0 HB3 LYS A 22 4.427 7.583 -8.071 1.00 1.00 H new ATOM 0 HG2 LYS A 22 2.692 9.789 -9.295 1.00 1.00 H new ATOM 0 HG3 LYS A 22 4.414 9.641 -9.582 1.00 1.00 H new ATOM 0 HD2 LYS A 22 4.133 7.896 -11.048 1.00 1.00 H new ATOM 0 HD3 LYS A 22 3.015 7.069 -9.981 1.00 1.00 H new ATOM 0 HE2 LYS A 22 2.207 9.536 -11.594 1.00 1.00 H new ATOM 0 HE3 LYS A 22 2.038 7.910 -12.225 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -0.007 8.483 -11.193 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 0.748 7.375 -10.152 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 0.759 9.032 -9.781 1.00 1.00 H new ATOM 340 N GLU A 23 2.911 5.883 -6.151 1.00 1.00 N ATOM 341 CA GLU A 23 3.070 4.472 -5.844 1.00 1.00 C ATOM 342 C GLU A 23 1.699 3.843 -5.656 1.00 1.00 C ATOM 343 O GLU A 23 1.363 2.859 -6.303 1.00 1.00 O ATOM 344 CB GLU A 23 3.897 4.295 -4.570 1.00 1.00 C ATOM 345 CG GLU A 23 5.374 4.552 -4.878 1.00 1.00 C ATOM 346 CD GLU A 23 5.973 3.350 -5.601 1.00 1.00 C ATOM 347 OE1 GLU A 23 5.218 2.458 -5.952 1.00 1.00 O ATOM 348 OE2 GLU A 23 7.178 3.341 -5.794 1.00 1.00 O ATOM 0 H GLU A 23 3.151 6.516 -5.388 1.00 1.00 H new ATOM 0 HA GLU A 23 3.590 3.984 -6.668 1.00 1.00 H new ATOM 0 HB2 GLU A 23 3.550 4.984 -3.800 1.00 1.00 H new ATOM 0 HB3 GLU A 23 3.767 3.287 -4.177 1.00 1.00 H new ATOM 0 HG2 GLU A 23 5.475 5.445 -5.495 1.00 1.00 H new ATOM 0 HG3 GLU A 23 5.920 4.739 -3.953 1.00 1.00 H new ATOM 355 N ALA A 24 0.916 4.432 -4.763 1.00 1.00 N ATOM 356 CA ALA A 24 -0.424 3.942 -4.481 1.00 1.00 C ATOM 357 C ALA A 24 -1.117 3.474 -5.758 1.00 1.00 C ATOM 358 O ALA A 24 -1.617 2.351 -5.824 1.00 1.00 O ATOM 359 CB ALA A 24 -1.250 5.054 -3.834 1.00 1.00 C ATOM 0 H ALA A 24 1.188 5.252 -4.221 1.00 1.00 H new ATOM 0 HA ALA A 24 -0.342 3.094 -3.801 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -2.254 4.686 -3.623 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -0.775 5.366 -2.904 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -1.311 5.904 -4.513 1.00 1.00 H new ATOM 365 N CYS A 25 -1.151 4.339 -6.768 1.00 1.00 N ATOM 366 CA CYS A 25 -1.797 3.999 -8.031 1.00 1.00 C ATOM 367 C CYS A 25 -0.992 2.955 -8.799 1.00 1.00 C ATOM 368 O CYS A 25 -1.560 2.087 -9.460 1.00 1.00 O ATOM 369 CB CYS A 25 -1.951 5.257 -8.890 1.00 1.00 C ATOM 370 SG CYS A 25 -1.446 4.892 -10.589 1.00 1.00 S ATOM 0 H CYS A 25 -0.742 5.273 -6.737 1.00 1.00 H new ATOM 0 HA CYS A 25 -2.778 3.581 -7.807 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -2.986 5.598 -8.872 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -1.342 6.065 -8.484 1.00 1.00 H new ATOM 0 HG CYS A 25 -1.579 5.959 -11.320 1.00 1.00 H new ATOM 376 N ASP A 26 0.332 3.042 -8.709 1.00 1.00 N ATOM 377 CA ASP A 26 1.196 2.093 -9.405 1.00 1.00 C ATOM 378 C ASP A 26 1.306 0.791 -8.618 1.00 1.00 C ATOM 379 O ASP A 26 1.820 -0.210 -9.120 1.00 1.00 O ATOM 380 CB ASP A 26 2.589 2.698 -9.591 1.00 1.00 C ATOM 381 CG ASP A 26 3.311 2.008 -10.743 1.00 1.00 C ATOM 382 OD1 ASP A 26 2.987 2.305 -11.880 1.00 1.00 O ATOM 383 OD2 ASP A 26 4.182 1.198 -10.471 1.00 1.00 O ATOM 0 H ASP A 26 0.826 3.751 -8.168 1.00 1.00 H new ATOM 0 HA ASP A 26 0.759 1.878 -10.380 1.00 1.00 H new ATOM 0 HB2 ASP A 26 2.506 3.766 -9.791 1.00 1.00 H new ATOM 0 HB3 ASP A 26 3.166 2.590 -8.673 1.00 1.00 H new ATOM 388 N TRP A 27 0.820 0.815 -7.383 1.00 1.00 N ATOM 389 CA TRP A 27 0.865 -0.361 -6.524 1.00 1.00 C ATOM 390 C TRP A 27 -0.429 -1.157 -6.643 1.00 1.00 C ATOM 391 O TRP A 27 -0.407 -2.376 -6.811 1.00 1.00 O ATOM 392 CB TRP A 27 1.075 0.069 -5.072 1.00 1.00 C ATOM 393 CG TRP A 27 1.100 -1.136 -4.189 1.00 1.00 C ATOM 394 CD1 TRP A 27 2.190 -1.898 -3.942 1.00 1.00 C ATOM 395 CD2 TRP A 27 0.007 -1.728 -3.430 1.00 1.00 C ATOM 396 NE1 TRP A 27 1.835 -2.920 -3.080 1.00 1.00 N ATOM 397 CE2 TRP A 27 0.499 -2.858 -2.735 1.00 1.00 C ATOM 398 CE3 TRP A 27 -1.353 -1.397 -3.278 1.00 1.00 C ATOM 399 CZ2 TRP A 27 -0.325 -3.633 -1.920 1.00 1.00 C ATOM 400 CZ3 TRP A 27 -2.186 -2.176 -2.457 1.00 1.00 C ATOM 401 CH2 TRP A 27 -1.673 -3.292 -1.779 1.00 1.00 C ATOM 0 H TRP A 27 0.391 1.635 -6.955 1.00 1.00 H new ATOM 0 HA TRP A 27 1.695 -0.994 -6.839 1.00 1.00 H new ATOM 0 HB2 TRP A 27 2.010 0.621 -4.978 1.00 1.00 H new ATOM 0 HB3 TRP A 27 0.275 0.742 -4.763 1.00 1.00 H new ATOM 0 HD1 TRP A 27 3.176 -1.735 -4.351 1.00 1.00 H new ATOM 0 HE1 TRP A 27 2.481 -3.633 -2.741 1.00 1.00 H new ATOM 0 HE3 TRP A 27 -1.758 -0.540 -3.795 1.00 1.00 H new ATOM 0 HZ2 TRP A 27 0.076 -4.491 -1.401 1.00 1.00 H new ATOM 0 HZ3 TRP A 27 -3.228 -1.914 -2.347 1.00 1.00 H new ATOM 0 HH2 TRP A 27 -2.318 -3.886 -1.149 1.00 1.00 H new ATOM 412 N LEU A 28 -1.558 -0.460 -6.559 1.00 1.00 N ATOM 413 CA LEU A 28 -2.854 -1.114 -6.666 1.00 1.00 C ATOM 414 C LEU A 28 -2.859 -2.080 -7.845 1.00 1.00 C ATOM 415 O LEU A 28 -3.640 -3.030 -7.882 1.00 1.00 O ATOM 416 CB LEU A 28 -3.957 -0.069 -6.849 1.00 1.00 C ATOM 417 CG LEU A 28 -4.160 0.705 -5.541 1.00 1.00 C ATOM 418 CD1 LEU A 28 -4.733 2.091 -5.848 1.00 1.00 C ATOM 419 CD2 LEU A 28 -5.134 -0.052 -4.634 1.00 1.00 C ATOM 0 H LEU A 28 -1.600 0.549 -6.418 1.00 1.00 H new ATOM 0 HA LEU A 28 -3.040 -1.672 -5.748 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -3.690 0.618 -7.652 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -4.887 -0.556 -7.143 1.00 1.00 H new ATOM 0 HG LEU A 28 -3.199 0.808 -5.036 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -4.877 2.640 -4.917 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -4.040 2.637 -6.488 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -5.691 1.984 -6.358 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -5.274 0.503 -3.706 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -6.093 -0.160 -5.140 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -4.729 -1.039 -4.409 1.00 1.00 H new ATOM 431 N ARG A 29 -1.975 -1.829 -8.805 1.00 1.00 N ATOM 432 CA ARG A 29 -1.877 -2.681 -9.986 1.00 1.00 C ATOM 433 C ARG A 29 -0.954 -3.864 -9.712 1.00 1.00 C ATOM 434 O ARG A 29 -1.115 -4.938 -10.293 1.00 1.00 O ATOM 435 CB ARG A 29 -1.334 -1.879 -11.171 1.00 1.00 C ATOM 436 CG ARG A 29 -1.551 -0.386 -10.923 1.00 1.00 C ATOM 437 CD ARG A 29 -1.301 0.391 -12.217 1.00 1.00 C ATOM 438 NE ARG A 29 -2.149 -0.121 -13.287 1.00 1.00 N ATOM 439 CZ ARG A 29 -3.452 0.140 -13.316 1.00 1.00 C ATOM 440 NH1 ARG A 29 -3.992 0.872 -12.382 1.00 1.00 N ATOM 441 NH2 ARG A 29 -4.190 -0.338 -14.281 1.00 1.00 N ATOM 0 H ARG A 29 -1.320 -1.048 -8.790 1.00 1.00 H new ATOM 0 HA ARG A 29 -2.874 -3.052 -10.225 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -0.272 -2.085 -11.306 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -1.837 -2.182 -12.089 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -2.568 -0.209 -10.572 1.00 1.00 H new ATOM 0 HG3 ARG A 29 -0.878 -0.035 -10.141 1.00 1.00 H new ATOM 0 HD2 ARG A 29 -1.504 1.450 -12.058 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -0.253 0.307 -12.503 1.00 1.00 H new ATOM 0 HE ARG A 29 -1.735 -0.689 -14.026 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -3.414 1.245 -11.628 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -4.992 1.072 -12.405 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -3.767 -0.911 -15.011 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -5.190 -0.139 -14.305 1.00 1.00 H new ATOM 455 N ALA A 30 0.010 -3.662 -8.821 1.00 1.00 N ATOM 456 CA ALA A 30 0.952 -4.718 -8.473 1.00 1.00 C ATOM 457 C ALA A 30 0.304 -5.708 -7.511 1.00 1.00 C ATOM 458 O ALA A 30 0.848 -6.780 -7.248 1.00 1.00 O ATOM 459 CB ALA A 30 2.201 -4.116 -7.829 1.00 1.00 C ATOM 0 H ALA A 30 0.159 -2.781 -8.329 1.00 1.00 H new ATOM 0 HA ALA A 30 1.237 -5.244 -9.384 1.00 1.00 H new ATOM 0 HB1 ALA A 30 2.899 -4.913 -7.573 1.00 1.00 H new ATOM 0 HB2 ALA A 30 2.676 -3.429 -8.529 1.00 1.00 H new ATOM 0 HB3 ALA A 30 1.920 -3.576 -6.925 1.00 1.00 H new ATOM 465 N ALA A 31 -0.859 -5.337 -6.989 1.00 1.00 N ATOM 466 CA ALA A 31 -1.576 -6.196 -6.056 1.00 1.00 C ATOM 467 C ALA A 31 -2.671 -6.973 -6.782 1.00 1.00 C ATOM 468 O ALA A 31 -3.216 -7.939 -6.250 1.00 1.00 O ATOM 469 CB ALA A 31 -2.199 -5.351 -4.943 1.00 1.00 C ATOM 0 H ALA A 31 -1.323 -4.452 -7.195 1.00 1.00 H new ATOM 0 HA ALA A 31 -0.869 -6.903 -5.622 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -2.733 -6.000 -4.249 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -1.413 -4.817 -4.408 1.00 1.00 H new ATOM 0 HB3 ALA A 31 -2.895 -4.633 -5.377 1.00 1.00 H new ATOM 475 N GLY A 32 -2.985 -6.543 -8.000 1.00 1.00 N ATOM 476 CA GLY A 32 -4.014 -7.207 -8.793 1.00 1.00 C ATOM 477 C GLY A 32 -5.348 -6.477 -8.677 1.00 1.00 C ATOM 478 O GLY A 32 -6.397 -7.032 -9.002 1.00 1.00 O ATOM 0 H GLY A 32 -2.546 -5.744 -8.457 1.00 1.00 H new ATOM 0 HA2 GLY A 32 -3.705 -7.245 -9.838 1.00 1.00 H new ATOM 0 HA3 GLY A 32 -4.129 -8.238 -8.457 1.00 1.00 H new ATOM 482 N PHE A 33 -5.297 -5.233 -8.211 1.00 1.00 N ATOM 483 CA PHE A 33 -6.506 -4.430 -8.053 1.00 1.00 C ATOM 484 C PHE A 33 -6.331 -3.057 -8.699 1.00 1.00 C ATOM 485 O PHE A 33 -6.479 -2.028 -8.040 1.00 1.00 O ATOM 486 CB PHE A 33 -6.825 -4.258 -6.566 1.00 1.00 C ATOM 487 CG PHE A 33 -6.481 -5.530 -5.829 1.00 1.00 C ATOM 488 CD1 PHE A 33 -7.041 -6.746 -6.237 1.00 1.00 C ATOM 489 CD2 PHE A 33 -5.601 -5.496 -4.741 1.00 1.00 C ATOM 490 CE1 PHE A 33 -6.723 -7.928 -5.557 1.00 1.00 C ATOM 491 CE2 PHE A 33 -5.282 -6.677 -4.061 1.00 1.00 C ATOM 492 CZ PHE A 33 -5.842 -7.893 -4.468 1.00 1.00 C ATOM 0 H PHE A 33 -4.436 -4.760 -7.937 1.00 1.00 H new ATOM 0 HA PHE A 33 -7.329 -4.947 -8.547 1.00 1.00 H new ATOM 0 HB2 PHE A 33 -6.258 -3.422 -6.156 1.00 1.00 H new ATOM 0 HB3 PHE A 33 -7.881 -4.022 -6.434 1.00 1.00 H new ATOM 0 HD1 PHE A 33 -7.719 -6.773 -7.077 1.00 1.00 H new ATOM 0 HD2 PHE A 33 -5.168 -4.558 -4.426 1.00 1.00 H new ATOM 0 HE1 PHE A 33 -7.156 -8.866 -5.872 1.00 1.00 H new ATOM 0 HE2 PHE A 33 -4.603 -6.650 -3.222 1.00 1.00 H new ATOM 0 HZ PHE A 33 -5.595 -8.804 -3.943 1.00 1.00 H new ATOM 502 N PRO A 34 -6.019 -3.025 -9.966 1.00 1.00 N ATOM 503 CA PRO A 34 -5.819 -1.751 -10.714 1.00 1.00 C ATOM 504 C PRO A 34 -7.122 -0.971 -10.879 1.00 1.00 C ATOM 505 O PRO A 34 -7.112 0.197 -11.267 1.00 1.00 O ATOM 506 CB PRO A 34 -5.274 -2.197 -12.071 1.00 1.00 C ATOM 507 CG PRO A 34 -5.705 -3.617 -12.232 1.00 1.00 C ATOM 508 CD PRO A 34 -5.820 -4.203 -10.825 1.00 1.00 C ATOM 0 HA PRO A 34 -5.147 -1.073 -10.188 1.00 1.00 H new ATOM 0 HB2 PRO A 34 -5.668 -1.575 -12.875 1.00 1.00 H new ATOM 0 HB3 PRO A 34 -4.188 -2.111 -12.104 1.00 1.00 H new ATOM 0 HG2 PRO A 34 -6.660 -3.675 -12.755 1.00 1.00 H new ATOM 0 HG3 PRO A 34 -4.982 -4.176 -12.826 1.00 1.00 H new ATOM 0 HD2 PRO A 34 -6.656 -4.899 -10.749 1.00 1.00 H new ATOM 0 HD3 PRO A 34 -4.921 -4.753 -10.547 1.00 1.00 H new ATOM 516 N GLN A 35 -8.240 -1.626 -10.584 1.00 1.00 N ATOM 517 CA GLN A 35 -9.543 -0.982 -10.705 1.00 1.00 C ATOM 518 C GLN A 35 -9.628 0.229 -9.781 1.00 1.00 C ATOM 519 O GLN A 35 -10.549 1.040 -9.889 1.00 1.00 O ATOM 520 CB GLN A 35 -10.651 -1.975 -10.352 1.00 1.00 C ATOM 521 CG GLN A 35 -10.607 -2.282 -8.854 1.00 1.00 C ATOM 522 CD GLN A 35 -11.594 -1.390 -8.107 1.00 1.00 C ATOM 523 OE1 GLN A 35 -12.722 -1.197 -8.559 1.00 1.00 O ATOM 524 NE2 GLN A 35 -11.233 -0.834 -6.983 1.00 1.00 N ATOM 0 H GLN A 35 -8.271 -2.593 -10.262 1.00 1.00 H new ATOM 0 HA GLN A 35 -9.670 -0.649 -11.735 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -11.623 -1.561 -10.620 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -10.526 -2.893 -10.926 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -10.851 -3.330 -8.682 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -9.599 -2.122 -8.472 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -10.297 -0.996 -6.611 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -11.887 -0.237 -6.476 1.00 1.00 H new ATOM 533 N TYR A 36 -8.662 0.344 -8.875 1.00 1.00 N ATOM 534 CA TYR A 36 -8.638 1.460 -7.938 1.00 1.00 C ATOM 535 C TYR A 36 -7.961 2.668 -8.566 1.00 1.00 C ATOM 536 O TYR A 36 -8.608 3.681 -8.822 1.00 1.00 O ATOM 537 CB TYR A 36 -7.891 1.057 -6.668 1.00 1.00 C ATOM 538 CG TYR A 36 -8.802 0.229 -5.799 1.00 1.00 C ATOM 539 CD1 TYR A 36 -9.918 0.821 -5.192 1.00 1.00 C ATOM 540 CD2 TYR A 36 -8.539 -1.131 -5.601 1.00 1.00 C ATOM 541 CE1 TYR A 36 -10.767 0.052 -4.389 1.00 1.00 C ATOM 542 CE2 TYR A 36 -9.390 -1.900 -4.798 1.00 1.00 C ATOM 543 CZ TYR A 36 -10.504 -1.308 -4.191 1.00 1.00 C ATOM 544 OH TYR A 36 -11.344 -2.068 -3.403 1.00 1.00 O ATOM 0 H TYR A 36 -7.892 -0.316 -8.770 1.00 1.00 H new ATOM 0 HA TYR A 36 -9.665 1.723 -7.687 1.00 1.00 H new ATOM 0 HB2 TYR A 36 -6.996 0.489 -6.923 1.00 1.00 H new ATOM 0 HB3 TYR A 36 -7.562 1.945 -6.128 1.00 1.00 H new ATOM 0 HD1 TYR A 36 -10.122 1.871 -5.344 1.00 1.00 H new ATOM 0 HD2 TYR A 36 -7.679 -1.588 -6.068 1.00 1.00 H new ATOM 0 HE1 TYR A 36 -11.627 0.509 -3.921 1.00 1.00 H new ATOM 0 HE2 TYR A 36 -9.187 -2.950 -4.647 1.00 1.00 H new ATOM 0 HH TYR A 36 -11.017 -2.991 -3.372 1.00 1.00 H new ATOM 554 N ALA A 37 -6.657 2.553 -8.814 1.00 1.00 N ATOM 555 CA ALA A 37 -5.894 3.642 -9.418 1.00 1.00 C ATOM 556 C ALA A 37 -6.731 4.370 -10.461 1.00 1.00 C ATOM 557 O ALA A 37 -6.730 5.599 -10.527 1.00 1.00 O ATOM 558 CB ALA A 37 -4.630 3.087 -10.077 1.00 1.00 C ATOM 0 H ALA A 37 -6.109 1.718 -8.606 1.00 1.00 H new ATOM 0 HA ALA A 37 -5.619 4.347 -8.633 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -4.065 3.904 -10.526 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -4.016 2.591 -9.326 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -4.907 2.370 -10.850 1.00 1.00 H new ATOM 564 N GLN A 38 -7.450 3.601 -11.266 1.00 1.00 N ATOM 565 CA GLN A 38 -8.300 4.177 -12.298 1.00 1.00 C ATOM 566 C GLN A 38 -9.070 5.372 -11.741 1.00 1.00 C ATOM 567 O GLN A 38 -9.182 6.411 -12.393 1.00 1.00 O ATOM 568 CB GLN A 38 -9.282 3.120 -12.801 1.00 1.00 C ATOM 569 CG GLN A 38 -8.780 2.541 -14.124 1.00 1.00 C ATOM 570 CD GLN A 38 -8.911 3.582 -15.233 1.00 1.00 C ATOM 571 OE1 GLN A 38 -7.893 4.345 -15.521 1.00 1.00 O flip ATOM 572 NE2 GLN A 38 -9.968 3.700 -15.852 1.00 1.00 N flip ATOM 0 H GLN A 38 -7.462 2.582 -11.225 1.00 1.00 H new ATOM 0 HA GLN A 38 -7.675 4.515 -13.124 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -9.387 2.326 -12.062 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -10.269 3.562 -12.937 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -7.739 2.233 -14.024 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -9.353 1.650 -14.381 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -10.762 3.102 -15.624 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -10.050 4.396 -16.593 1.00 1.00 H new ATOM 581 N LEU A 39 -9.592 5.212 -10.530 1.00 1.00 N ATOM 582 CA LEU A 39 -10.349 6.278 -9.883 1.00 1.00 C ATOM 583 C LEU A 39 -9.520 7.557 -9.808 1.00 1.00 C ATOM 584 O LEU A 39 -10.058 8.661 -9.916 1.00 1.00 O ATOM 585 CB LEU A 39 -10.750 5.842 -8.468 1.00 1.00 C ATOM 586 CG LEU A 39 -11.821 4.746 -8.543 1.00 1.00 C ATOM 587 CD1 LEU A 39 -12.078 4.193 -7.141 1.00 1.00 C ATOM 588 CD2 LEU A 39 -13.130 5.317 -9.108 1.00 1.00 C ATOM 0 H LEU A 39 -9.506 4.358 -9.978 1.00 1.00 H new ATOM 0 HA LEU A 39 -11.244 6.476 -10.473 1.00 1.00 H new ATOM 0 HB2 LEU A 39 -9.876 5.473 -7.931 1.00 1.00 H new ATOM 0 HB3 LEU A 39 -11.131 6.697 -7.909 1.00 1.00 H new ATOM 0 HG LEU A 39 -11.467 3.951 -9.199 1.00 1.00 H new ATOM 0 HD11 LEU A 39 -12.839 3.414 -7.191 1.00 1.00 H new ATOM 0 HD12 LEU A 39 -11.155 3.774 -6.740 1.00 1.00 H new ATOM 0 HD13 LEU A 39 -12.424 4.997 -6.491 1.00 1.00 H new ATOM 0 HD21 LEU A 39 -13.881 4.528 -9.155 1.00 1.00 H new ATOM 0 HD22 LEU A 39 -13.486 6.119 -8.461 1.00 1.00 H new ATOM 0 HD23 LEU A 39 -12.953 5.710 -10.109 1.00 1.00 H new ATOM 600 N TYR A 40 -8.213 7.406 -9.625 1.00 1.00 N ATOM 601 CA TYR A 40 -7.326 8.562 -9.541 1.00 1.00 C ATOM 602 C TYR A 40 -7.580 9.509 -10.708 1.00 1.00 C ATOM 603 O TYR A 40 -7.952 10.666 -10.511 1.00 1.00 O ATOM 604 CB TYR A 40 -5.864 8.107 -9.556 1.00 1.00 C ATOM 605 CG TYR A 40 -4.962 9.294 -9.304 1.00 1.00 C ATOM 606 CD1 TYR A 40 -4.992 9.942 -8.063 1.00 1.00 C ATOM 607 CD2 TYR A 40 -4.098 9.744 -10.309 1.00 1.00 C ATOM 608 CE1 TYR A 40 -4.157 11.041 -7.827 1.00 1.00 C ATOM 609 CE2 TYR A 40 -3.262 10.843 -10.073 1.00 1.00 C ATOM 610 CZ TYR A 40 -3.292 11.492 -8.832 1.00 1.00 C ATOM 611 OH TYR A 40 -2.469 12.574 -8.601 1.00 1.00 O ATOM 0 H TYR A 40 -7.747 6.504 -9.533 1.00 1.00 H new ATOM 0 HA TYR A 40 -7.528 9.087 -8.607 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -5.702 7.345 -8.793 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -5.624 7.652 -10.517 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -5.659 9.594 -7.288 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -4.076 9.244 -11.266 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -4.180 11.541 -6.870 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -2.594 11.190 -10.848 1.00 1.00 H new ATOM 0 HH TYR A 40 -1.933 12.754 -9.401 1.00 1.00 H new ATOM 621 N GLU A 41 -7.379 9.010 -11.922 1.00 1.00 N ATOM 622 CA GLU A 41 -7.594 9.822 -13.112 1.00 1.00 C ATOM 623 C GLU A 41 -8.880 10.630 -12.981 1.00 1.00 C ATOM 624 O GLU A 41 -8.960 11.766 -13.447 1.00 1.00 O ATOM 625 CB GLU A 41 -7.674 8.924 -14.348 1.00 1.00 C ATOM 626 CG GLU A 41 -6.594 7.844 -14.268 1.00 1.00 C ATOM 627 CD GLU A 41 -6.349 7.246 -15.648 1.00 1.00 C ATOM 628 OE1 GLU A 41 -6.360 7.998 -16.609 1.00 1.00 O ATOM 629 OE2 GLU A 41 -6.155 6.044 -15.726 1.00 1.00 O ATOM 0 H GLU A 41 -7.070 8.056 -12.107 1.00 1.00 H new ATOM 0 HA GLU A 41 -6.756 10.510 -13.218 1.00 1.00 H new ATOM 0 HB2 GLU A 41 -8.660 8.463 -14.412 1.00 1.00 H new ATOM 0 HB3 GLU A 41 -7.541 9.519 -15.252 1.00 1.00 H new ATOM 0 HG2 GLU A 41 -5.670 8.271 -13.879 1.00 1.00 H new ATOM 0 HG3 GLU A 41 -6.901 7.062 -13.573 1.00 1.00 H new ATOM 636 N ASP A 42 -9.885 10.036 -12.344 1.00 1.00 N ATOM 637 CA ASP A 42 -11.164 10.708 -12.157 1.00 1.00 C ATOM 638 C ASP A 42 -11.121 11.610 -10.925 1.00 1.00 C ATOM 639 O ASP A 42 -11.872 12.581 -10.829 1.00 1.00 O ATOM 640 CB ASP A 42 -12.278 9.673 -11.994 1.00 1.00 C ATOM 641 CG ASP A 42 -13.070 9.550 -13.291 1.00 1.00 C ATOM 642 OD1 ASP A 42 -12.584 8.898 -14.200 1.00 1.00 O ATOM 643 OD2 ASP A 42 -14.154 10.110 -13.355 1.00 1.00 O ATOM 0 H ASP A 42 -9.838 9.096 -11.951 1.00 1.00 H new ATOM 0 HA ASP A 42 -11.363 11.321 -13.036 1.00 1.00 H new ATOM 0 HB2 ASP A 42 -11.851 8.707 -11.726 1.00 1.00 H new ATOM 0 HB3 ASP A 42 -12.941 9.966 -11.180 1.00 1.00 H new ATOM 648 N SER A 43 -10.238 11.281 -9.987 1.00 1.00 N ATOM 649 CA SER A 43 -10.101 12.064 -8.765 1.00 1.00 C ATOM 650 C SER A 43 -11.191 11.699 -7.762 1.00 1.00 C ATOM 651 O SER A 43 -11.487 12.469 -6.848 1.00 1.00 O ATOM 652 CB SER A 43 -10.180 13.557 -9.086 1.00 1.00 C ATOM 653 OG SER A 43 -9.345 14.274 -8.185 1.00 1.00 O ATOM 0 H SER A 43 -9.609 10.480 -10.050 1.00 1.00 H new ATOM 0 HA SER A 43 -9.130 11.838 -8.324 1.00 1.00 H new ATOM 0 HB2 SER A 43 -9.865 13.737 -10.114 1.00 1.00 H new ATOM 0 HB3 SER A 43 -11.209 13.905 -9.002 1.00 1.00 H new ATOM 0 HG SER A 43 -9.391 15.232 -8.388 1.00 1.00 H new ATOM 659 N GLN A 44 -11.779 10.520 -7.934 1.00 1.00 N ATOM 660 CA GLN A 44 -12.831 10.063 -7.032 1.00 1.00 C ATOM 661 C GLN A 44 -12.275 9.036 -6.055 1.00 1.00 C ATOM 662 O GLN A 44 -12.968 8.098 -5.659 1.00 1.00 O ATOM 663 CB GLN A 44 -13.980 9.441 -7.830 1.00 1.00 C ATOM 664 CG GLN A 44 -14.543 10.472 -8.811 1.00 1.00 C ATOM 665 CD GLN A 44 -15.475 11.435 -8.081 1.00 1.00 C ATOM 666 OE1 GLN A 44 -15.035 12.173 -7.198 1.00 1.00 O ATOM 667 NE2 GLN A 44 -16.741 11.473 -8.395 1.00 1.00 N ATOM 0 H GLN A 44 -11.548 9.868 -8.683 1.00 1.00 H new ATOM 0 HA GLN A 44 -13.206 10.922 -6.475 1.00 1.00 H new ATOM 0 HB2 GLN A 44 -13.626 8.564 -8.372 1.00 1.00 H new ATOM 0 HB3 GLN A 44 -14.764 9.102 -7.153 1.00 1.00 H new ATOM 0 HG2 GLN A 44 -13.728 11.025 -9.277 1.00 1.00 H new ATOM 0 HG3 GLN A 44 -15.084 9.967 -9.611 1.00 1.00 H new ATOM 0 HE21 GLN A 44 -17.104 10.861 -9.126 1.00 1.00 H new ATOM 0 HE22 GLN A 44 -17.368 12.114 -7.909 1.00 1.00 H new ATOM 676 N PHE A 45 -11.017 9.219 -5.675 1.00 1.00 N ATOM 677 CA PHE A 45 -10.366 8.304 -4.748 1.00 1.00 C ATOM 678 C PHE A 45 -10.932 8.448 -3.348 1.00 1.00 C ATOM 679 O PHE A 45 -11.180 7.449 -2.672 1.00 1.00 O ATOM 680 CB PHE A 45 -8.860 8.565 -4.725 1.00 1.00 C ATOM 681 CG PHE A 45 -8.133 7.333 -5.196 1.00 1.00 C ATOM 682 CD1 PHE A 45 -8.154 6.985 -6.553 1.00 1.00 C ATOM 683 CD2 PHE A 45 -7.436 6.535 -4.280 1.00 1.00 C ATOM 684 CE1 PHE A 45 -7.478 5.840 -6.992 1.00 1.00 C ATOM 685 CE2 PHE A 45 -6.761 5.391 -4.719 1.00 1.00 C ATOM 686 CZ PHE A 45 -6.782 5.043 -6.076 1.00 1.00 C ATOM 0 H PHE A 45 -10.429 9.990 -5.993 1.00 1.00 H new ATOM 0 HA PHE A 45 -10.554 7.287 -5.091 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -8.616 9.412 -5.366 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -8.540 8.826 -3.716 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -8.691 7.600 -7.260 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -7.420 6.803 -3.234 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -7.494 5.572 -8.038 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -6.224 4.776 -4.012 1.00 1.00 H new ATOM 0 HZ PHE A 45 -6.261 4.160 -6.415 1.00 1.00 H new ATOM 696 N PRO A 46 -11.144 9.649 -2.893 1.00 1.00 N ATOM 697 CA PRO A 46 -11.695 9.868 -1.535 1.00 1.00 C ATOM 698 C PRO A 46 -13.103 9.302 -1.420 1.00 1.00 C ATOM 699 O PRO A 46 -14.033 9.785 -2.062 1.00 1.00 O ATOM 700 CB PRO A 46 -11.706 11.395 -1.369 1.00 1.00 C ATOM 701 CG PRO A 46 -10.882 11.948 -2.489 1.00 1.00 C ATOM 702 CD PRO A 46 -10.885 10.905 -3.603 1.00 1.00 C ATOM 0 HA PRO A 46 -11.106 9.370 -0.765 1.00 1.00 H new ATOM 0 HB2 PRO A 46 -12.724 11.782 -1.408 1.00 1.00 H new ATOM 0 HB3 PRO A 46 -11.292 11.684 -0.403 1.00 1.00 H new ATOM 0 HG2 PRO A 46 -11.297 12.892 -2.843 1.00 1.00 H new ATOM 0 HG3 PRO A 46 -9.865 12.152 -2.155 1.00 1.00 H new ATOM 0 HD2 PRO A 46 -11.655 11.113 -4.346 1.00 1.00 H new ATOM 0 HD3 PRO A 46 -9.932 10.879 -4.131 1.00 1.00 H new ATOM 710 N ILE A 47 -13.242 8.286 -0.580 1.00 1.00 N ATOM 711 CA ILE A 47 -14.530 7.635 -0.348 1.00 1.00 C ATOM 712 C ILE A 47 -14.414 6.694 0.847 1.00 1.00 C ATOM 713 O ILE A 47 -13.343 6.559 1.438 1.00 1.00 O ATOM 714 CB ILE A 47 -14.960 6.813 -1.580 1.00 1.00 C ATOM 715 CG1 ILE A 47 -13.740 6.081 -2.143 1.00 1.00 C ATOM 716 CG2 ILE A 47 -15.557 7.707 -2.678 1.00 1.00 C ATOM 717 CD1 ILE A 47 -14.147 4.671 -2.576 1.00 1.00 C ATOM 0 H ILE A 47 -12.472 7.889 -0.041 1.00 1.00 H new ATOM 0 HA ILE A 47 -15.274 8.408 -0.157 1.00 1.00 H new ATOM 0 HB ILE A 47 -15.726 6.104 -1.264 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -13.332 6.630 -2.992 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -12.954 6.029 -1.390 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -15.848 7.092 -3.530 1.00 1.00 H new ATOM 0 HG22 ILE A 47 -16.433 8.226 -2.289 1.00 1.00 H new ATOM 0 HG23 ILE A 47 -14.814 8.438 -2.996 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -13.279 4.149 -2.977 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -14.534 4.124 -1.716 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -14.919 4.735 -3.343 1.00 1.00 H new ATOM 729 N ASN A 48 -15.515 6.036 1.193 1.00 1.00 N ATOM 730 CA ASN A 48 -15.510 5.104 2.314 1.00 1.00 C ATOM 731 C ASN A 48 -14.577 3.932 2.013 1.00 1.00 C ATOM 732 O ASN A 48 -14.965 2.972 1.349 1.00 1.00 O ATOM 733 CB ASN A 48 -16.927 4.586 2.569 1.00 1.00 C ATOM 734 CG ASN A 48 -16.979 3.834 3.895 1.00 1.00 C ATOM 735 OD1 ASN A 48 -16.111 2.889 4.131 1.00 1.00 O flip ATOM 736 ND2 ASN A 48 -17.841 4.104 4.731 1.00 1.00 N flip ATOM 0 H ASN A 48 -16.413 6.129 0.719 1.00 1.00 H new ATOM 0 HA ASN A 48 -15.155 5.623 3.204 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -17.630 5.419 2.587 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -17.234 3.928 1.756 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -18.519 4.843 4.544 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -17.878 3.589 5.610 1.00 1.00 H new ATOM 743 N ILE A 49 -13.343 4.028 2.498 1.00 1.00 N ATOM 744 CA ILE A 49 -12.352 2.982 2.268 1.00 1.00 C ATOM 745 C ILE A 49 -12.879 1.620 2.708 1.00 1.00 C ATOM 746 O ILE A 49 -13.043 0.718 1.893 1.00 1.00 O ATOM 747 CB ILE A 49 -11.070 3.304 3.035 1.00 1.00 C ATOM 748 CG1 ILE A 49 -10.414 4.548 2.428 1.00 1.00 C ATOM 749 CG2 ILE A 49 -10.104 2.123 2.939 1.00 1.00 C ATOM 750 CD1 ILE A 49 -9.441 5.159 3.437 1.00 1.00 C ATOM 0 H ILE A 49 -13.006 4.816 3.051 1.00 1.00 H new ATOM 0 HA ILE A 49 -12.142 2.943 1.199 1.00 1.00 H new ATOM 0 HB ILE A 49 -11.311 3.490 4.082 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -9.885 4.283 1.513 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -11.177 5.277 2.156 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -9.190 2.355 3.487 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -10.570 1.236 3.369 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -9.862 1.935 1.893 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -8.975 6.044 3.003 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -9.982 5.440 4.340 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -8.671 4.429 3.687 1.00 1.00 H new ATOM 762 N VAL A 50 -13.128 1.479 4.004 1.00 1.00 N ATOM 763 CA VAL A 50 -13.625 0.217 4.545 1.00 1.00 C ATOM 764 C VAL A 50 -14.621 -0.437 3.586 1.00 1.00 C ATOM 765 O VAL A 50 -14.555 -1.640 3.332 1.00 1.00 O ATOM 766 CB VAL A 50 -14.302 0.461 5.894 1.00 1.00 C ATOM 767 CG1 VAL A 50 -14.443 -0.865 6.643 1.00 1.00 C ATOM 768 CG2 VAL A 50 -13.450 1.425 6.724 1.00 1.00 C ATOM 0 H VAL A 50 -12.996 2.216 4.697 1.00 1.00 H new ATOM 0 HA VAL A 50 -12.776 -0.454 4.675 1.00 1.00 H new ATOM 0 HB VAL A 50 -15.289 0.893 5.731 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -14.926 -0.690 7.605 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -15.048 -1.554 6.053 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -13.456 -1.298 6.806 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -13.931 1.600 7.686 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -12.463 0.991 6.886 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -13.348 2.371 6.192 1.00 1.00 H new ATOM 778 N ALA A 51 -15.549 0.362 3.077 1.00 1.00 N ATOM 779 CA ALA A 51 -16.575 -0.139 2.163 1.00 1.00 C ATOM 780 C ALA A 51 -15.977 -0.825 0.936 1.00 1.00 C ATOM 781 O ALA A 51 -16.573 -1.757 0.398 1.00 1.00 O ATOM 782 CB ALA A 51 -17.470 1.014 1.711 1.00 1.00 C ATOM 0 H ALA A 51 -15.615 1.360 3.279 1.00 1.00 H new ATOM 0 HA ALA A 51 -17.157 -0.883 2.707 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -18.233 0.637 1.030 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -17.950 1.465 2.580 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -16.867 1.764 1.200 1.00 1.00 H new ATOM 788 N VAL A 52 -14.807 -0.374 0.487 1.00 1.00 N ATOM 789 CA VAL A 52 -14.184 -0.988 -0.684 1.00 1.00 C ATOM 790 C VAL A 52 -13.377 -2.216 -0.275 1.00 1.00 C ATOM 791 O VAL A 52 -13.360 -3.221 -0.984 1.00 1.00 O ATOM 792 CB VAL A 52 -13.301 0.025 -1.432 1.00 1.00 C ATOM 793 CG1 VAL A 52 -13.820 1.440 -1.179 1.00 1.00 C ATOM 794 CG2 VAL A 52 -11.844 -0.068 -0.963 1.00 1.00 C ATOM 0 H VAL A 52 -14.282 0.395 0.904 1.00 1.00 H new ATOM 0 HA VAL A 52 -14.974 -1.307 -1.364 1.00 1.00 H new ATOM 0 HB VAL A 52 -13.341 -0.205 -2.497 1.00 1.00 H new ATOM 0 HG11 VAL A 52 -13.194 2.157 -1.709 1.00 1.00 H new ATOM 0 HG12 VAL A 52 -14.847 1.520 -1.537 1.00 1.00 H new ATOM 0 HG13 VAL A 52 -13.790 1.653 -0.110 1.00 1.00 H new ATOM 0 HG21 VAL A 52 -11.240 0.658 -1.507 1.00 1.00 H new ATOM 0 HG22 VAL A 52 -11.791 0.143 0.105 1.00 1.00 H new ATOM 0 HG23 VAL A 52 -11.464 -1.072 -1.154 1.00 1.00 H new ATOM 804 N LYS A 53 -12.723 -2.130 0.877 1.00 1.00 N ATOM 805 CA LYS A 53 -11.930 -3.246 1.373 1.00 1.00 C ATOM 806 C LYS A 53 -12.823 -4.458 1.597 1.00 1.00 C ATOM 807 O LYS A 53 -12.410 -5.599 1.390 1.00 1.00 O ATOM 808 CB LYS A 53 -11.259 -2.858 2.689 1.00 1.00 C ATOM 809 CG LYS A 53 -10.625 -1.473 2.545 1.00 1.00 C ATOM 810 CD LYS A 53 -9.354 -1.400 3.389 1.00 1.00 C ATOM 811 CE LYS A 53 -9.690 -1.702 4.852 1.00 1.00 C ATOM 812 NZ LYS A 53 -9.298 -3.103 5.173 1.00 1.00 N ATOM 0 H LYS A 53 -12.726 -1.307 1.480 1.00 1.00 H new ATOM 0 HA LYS A 53 -11.166 -3.493 0.636 1.00 1.00 H new ATOM 0 HB2 LYS A 53 -11.991 -2.853 3.496 1.00 1.00 H new ATOM 0 HB3 LYS A 53 -10.499 -3.593 2.953 1.00 1.00 H new ATOM 0 HG2 LYS A 53 -10.390 -1.276 1.499 1.00 1.00 H new ATOM 0 HG3 LYS A 53 -11.330 -0.705 2.863 1.00 1.00 H new ATOM 0 HD2 LYS A 53 -8.619 -2.115 3.019 1.00 1.00 H new ATOM 0 HD3 LYS A 53 -8.906 -0.410 3.305 1.00 1.00 H new ATOM 0 HE2 LYS A 53 -9.165 -1.007 5.508 1.00 1.00 H new ATOM 0 HE3 LYS A 53 -10.757 -1.562 5.028 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 -9.350 -3.251 6.201 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 -9.944 -3.763 4.695 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 -8.325 -3.275 4.848 1.00 1.00 H new ATOM 969 N LEU A 63 -2.802 -8.063 1.939 1.00 1.00 N ATOM 970 CA LEU A 63 -2.894 -7.036 0.912 1.00 1.00 C ATOM 971 C LEU A 63 -3.961 -6.010 1.281 1.00 1.00 C ATOM 972 O LEU A 63 -3.962 -4.890 0.771 1.00 1.00 O ATOM 973 CB LEU A 63 -3.243 -7.682 -0.432 1.00 1.00 C ATOM 974 CG LEU A 63 -1.969 -8.201 -1.111 1.00 1.00 C ATOM 975 CD1 LEU A 63 -2.352 -9.064 -2.313 1.00 1.00 C ATOM 976 CD2 LEU A 63 -1.103 -7.027 -1.589 1.00 1.00 C ATOM 0 HA LEU A 63 -1.932 -6.529 0.834 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -3.944 -8.503 -0.279 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -3.738 -6.956 -1.076 1.00 1.00 H new ATOM 0 HG LEU A 63 -1.402 -8.792 -0.392 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -1.449 -9.434 -2.798 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -2.956 -9.907 -1.978 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -2.925 -8.467 -3.022 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -0.203 -7.411 -2.069 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -1.667 -6.426 -2.303 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -0.824 -6.409 -0.735 1.00 1.00 H new ATOM 988 N VAL A 64 -4.864 -6.400 2.177 1.00 1.00 N ATOM 989 CA VAL A 64 -5.927 -5.503 2.613 1.00 1.00 C ATOM 990 C VAL A 64 -5.356 -4.384 3.476 1.00 1.00 C ATOM 991 O VAL A 64 -5.786 -3.235 3.385 1.00 1.00 O ATOM 992 CB VAL A 64 -6.977 -6.280 3.407 1.00 1.00 C ATOM 993 CG1 VAL A 64 -7.932 -5.298 4.090 1.00 1.00 C ATOM 994 CG2 VAL A 64 -7.770 -7.181 2.457 1.00 1.00 C ATOM 0 H VAL A 64 -4.880 -7.323 2.611 1.00 1.00 H new ATOM 0 HA VAL A 64 -6.395 -5.066 1.731 1.00 1.00 H new ATOM 0 HB VAL A 64 -6.482 -6.891 4.162 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -8.681 -5.852 4.656 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -7.369 -4.654 4.766 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -8.427 -4.687 3.335 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -8.519 -7.736 3.022 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -8.264 -6.569 1.703 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -7.092 -7.881 1.969 1.00 1.00 H new ATOM 1004 N GLU A 65 -4.377 -4.726 4.305 1.00 1.00 N ATOM 1005 CA GLU A 65 -3.746 -3.740 5.172 1.00 1.00 C ATOM 1006 C GLU A 65 -3.173 -2.586 4.349 1.00 1.00 C ATOM 1007 O GLU A 65 -3.604 -1.442 4.502 1.00 1.00 O ATOM 1008 CB GLU A 65 -2.637 -4.391 6.001 1.00 1.00 C ATOM 1009 CG GLU A 65 -3.134 -4.619 7.430 1.00 1.00 C ATOM 1010 CD GLU A 65 -3.272 -3.282 8.151 1.00 1.00 C ATOM 1011 OE1 GLU A 65 -3.091 -2.264 7.505 1.00 1.00 O ATOM 1012 OE2 GLU A 65 -3.557 -3.296 9.336 1.00 1.00 O ATOM 0 H GLU A 65 -4.005 -5.672 4.395 1.00 1.00 H new ATOM 0 HA GLU A 65 -4.505 -3.344 5.846 1.00 1.00 H new ATOM 0 HB2 GLU A 65 -2.342 -5.339 5.552 1.00 1.00 H new ATOM 0 HB3 GLU A 65 -1.753 -3.753 6.010 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -4.095 -5.133 7.412 1.00 1.00 H new ATOM 0 HG3 GLU A 65 -2.438 -5.262 7.968 1.00 1.00 H new ATOM 1019 N PRO A 66 -2.222 -2.848 3.480 1.00 1.00 N ATOM 1020 CA PRO A 66 -1.611 -1.784 2.632 1.00 1.00 C ATOM 1021 C PRO A 66 -2.651 -1.108 1.745 1.00 1.00 C ATOM 1022 O PRO A 66 -2.565 0.088 1.472 1.00 1.00 O ATOM 1023 CB PRO A 66 -0.567 -2.521 1.784 1.00 1.00 C ATOM 1024 CG PRO A 66 -0.918 -3.967 1.868 1.00 1.00 C ATOM 1025 CD PRO A 66 -1.626 -4.167 3.207 1.00 1.00 C ATOM 0 HA PRO A 66 -1.174 -0.987 3.233 1.00 1.00 H new ATOM 0 HB2 PRO A 66 -0.587 -2.174 0.751 1.00 1.00 H new ATOM 0 HB3 PRO A 66 0.440 -2.341 2.161 1.00 1.00 H new ATOM 0 HG2 PRO A 66 -1.565 -4.257 1.040 1.00 1.00 H new ATOM 0 HG3 PRO A 66 -0.024 -4.587 1.806 1.00 1.00 H new ATOM 0 HD2 PRO A 66 -2.386 -4.946 3.147 1.00 1.00 H new ATOM 0 HD3 PRO A 66 -0.928 -4.462 3.990 1.00 1.00 H new ATOM 1033 N LEU A 67 -3.638 -1.881 1.305 1.00 1.00 N ATOM 1034 CA LEU A 67 -4.694 -1.343 0.457 1.00 1.00 C ATOM 1035 C LEU A 67 -5.366 -0.164 1.147 1.00 1.00 C ATOM 1036 O LEU A 67 -5.635 0.863 0.525 1.00 1.00 O ATOM 1037 CB LEU A 67 -5.724 -2.440 0.157 1.00 1.00 C ATOM 1038 CG LEU A 67 -6.910 -1.868 -0.632 1.00 1.00 C ATOM 1039 CD1 LEU A 67 -6.406 -1.167 -1.894 1.00 1.00 C ATOM 1040 CD2 LEU A 67 -7.845 -3.010 -1.032 1.00 1.00 C ATOM 0 H LEU A 67 -3.728 -2.874 1.520 1.00 1.00 H new ATOM 0 HA LEU A 67 -4.260 -0.997 -0.481 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -5.254 -3.241 -0.413 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -6.079 -2.878 1.090 1.00 1.00 H new ATOM 0 HG LEU A 67 -7.443 -1.150 -0.009 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -7.253 -0.764 -2.449 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -5.735 -0.355 -1.616 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -5.871 -1.882 -2.518 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -8.689 -2.609 -1.593 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -7.303 -3.724 -1.653 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -8.210 -3.512 -0.136 1.00 1.00 H new ATOM 1052 N CYS A 68 -5.632 -0.318 2.440 1.00 1.00 N ATOM 1053 CA CYS A 68 -6.271 0.739 3.209 1.00 1.00 C ATOM 1054 C CYS A 68 -5.308 1.904 3.418 1.00 1.00 C ATOM 1055 O CYS A 68 -5.729 3.021 3.715 1.00 1.00 O ATOM 1056 CB CYS A 68 -6.720 0.198 4.568 1.00 1.00 C ATOM 1057 SG CYS A 68 -5.399 0.438 5.781 1.00 1.00 S ATOM 0 H CYS A 68 -5.416 -1.160 2.973 1.00 1.00 H new ATOM 0 HA CYS A 68 -7.140 1.093 2.654 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -7.625 0.711 4.894 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -6.965 -0.861 4.487 1.00 1.00 H new ATOM 0 HG CYS A 68 -4.393 -0.330 5.485 1.00 1.00 H new ATOM 1063 N ARG A 69 -4.016 1.636 3.259 1.00 1.00 N ATOM 1064 CA ARG A 69 -3.006 2.671 3.431 1.00 1.00 C ATOM 1065 C ARG A 69 -2.908 3.536 2.179 1.00 1.00 C ATOM 1066 O ARG A 69 -3.044 4.757 2.246 1.00 1.00 O ATOM 1067 CB ARG A 69 -1.646 2.034 3.722 1.00 1.00 C ATOM 1068 CG ARG A 69 -0.645 3.125 4.104 1.00 1.00 C ATOM 1069 CD ARG A 69 0.653 2.481 4.589 1.00 1.00 C ATOM 1070 NE ARG A 69 1.019 1.365 3.724 1.00 1.00 N ATOM 1071 CZ ARG A 69 1.450 1.569 2.483 1.00 1.00 C ATOM 1072 NH1 ARG A 69 1.556 2.785 2.022 1.00 1.00 N ATOM 1073 NH2 ARG A 69 1.767 0.554 1.727 1.00 1.00 N ATOM 0 H ARG A 69 -3.647 0.718 3.013 1.00 1.00 H new ATOM 0 HA ARG A 69 -3.298 3.300 4.272 1.00 1.00 H new ATOM 0 HB2 ARG A 69 -1.737 1.309 4.531 1.00 1.00 H new ATOM 0 HB3 ARG A 69 -1.292 1.491 2.846 1.00 1.00 H new ATOM 0 HG2 ARG A 69 -0.446 3.767 3.246 1.00 1.00 H new ATOM 0 HG3 ARG A 69 -1.063 3.759 4.886 1.00 1.00 H new ATOM 0 HD2 ARG A 69 1.453 3.221 4.597 1.00 1.00 H new ATOM 0 HD3 ARG A 69 0.532 2.131 5.614 1.00 1.00 H new ATOM 0 HE ARG A 69 0.943 0.411 4.077 1.00 1.00 H new ATOM 0 HH11 ARG A 69 1.308 3.578 2.614 1.00 1.00 H new ATOM 0 HH12 ARG A 69 1.887 2.942 1.070 1.00 1.00 H new ATOM 0 HH21 ARG A 69 1.684 -0.396 2.088 1.00 1.00 H new ATOM 0 HH22 ARG A 69 2.098 0.711 0.775 1.00 1.00 H new ATOM 1087 N ARG A 70 -2.676 2.898 1.037 1.00 1.00 N ATOM 1088 CA ARG A 70 -2.570 3.630 -0.219 1.00 1.00 C ATOM 1089 C ARG A 70 -3.799 4.513 -0.417 1.00 1.00 C ATOM 1090 O ARG A 70 -3.688 5.736 -0.497 1.00 1.00 O ATOM 1091 CB ARG A 70 -2.447 2.659 -1.400 1.00 1.00 C ATOM 1092 CG ARG A 70 -1.265 1.705 -1.190 1.00 1.00 C ATOM 1093 CD ARG A 70 0.027 2.493 -0.953 1.00 1.00 C ATOM 1094 NE ARG A 70 1.177 1.691 -1.357 1.00 1.00 N ATOM 1095 CZ ARG A 70 2.334 2.255 -1.687 1.00 1.00 C ATOM 1096 NH1 ARG A 70 2.463 3.553 -1.646 1.00 1.00 N ATOM 1097 NH2 ARG A 70 3.341 1.510 -2.053 1.00 1.00 N ATOM 0 H ARG A 70 -2.559 1.888 0.955 1.00 1.00 H new ATOM 0 HA ARG A 70 -1.677 4.253 -0.176 1.00 1.00 H new ATOM 0 HB2 ARG A 70 -3.369 2.087 -1.506 1.00 1.00 H new ATOM 0 HB3 ARG A 70 -2.311 3.218 -2.326 1.00 1.00 H new ATOM 0 HG2 ARG A 70 -1.462 1.055 -0.338 1.00 1.00 H new ATOM 0 HG3 ARG A 70 -1.150 1.062 -2.062 1.00 1.00 H new ATOM 0 HD2 ARG A 70 0.005 3.424 -1.519 1.00 1.00 H new ATOM 0 HD3 ARG A 70 0.112 2.762 0.100 1.00 1.00 H new ATOM 0 HE ARG A 70 1.091 0.675 -1.387 1.00 1.00 H new ATOM 0 HH11 ARG A 70 1.675 4.135 -1.361 1.00 1.00 H new ATOM 0 HH12 ARG A 70 3.351 3.985 -1.899 1.00 1.00 H new ATOM 0 HH21 ARG A 70 3.240 0.496 -2.086 1.00 1.00 H new ATOM 0 HH22 ARG A 70 4.229 1.942 -2.306 1.00 1.00 H new ATOM 1111 N LEU A 71 -4.968 3.886 -0.492 1.00 1.00 N ATOM 1112 CA LEU A 71 -6.205 4.634 -0.677 1.00 1.00 C ATOM 1113 C LEU A 71 -6.242 5.829 0.267 1.00 1.00 C ATOM 1114 O LEU A 71 -6.563 6.945 -0.141 1.00 1.00 O ATOM 1115 CB LEU A 71 -7.412 3.730 -0.411 1.00 1.00 C ATOM 1116 CG LEU A 71 -7.397 2.541 -1.383 1.00 1.00 C ATOM 1117 CD1 LEU A 71 -8.306 1.443 -0.834 1.00 1.00 C ATOM 1118 CD2 LEU A 71 -7.905 2.967 -2.769 1.00 1.00 C ATOM 0 H LEU A 71 -5.085 2.875 -0.428 1.00 1.00 H new ATOM 0 HA LEU A 71 -6.246 4.991 -1.706 1.00 1.00 H new ATOM 0 HB2 LEU A 71 -7.389 3.371 0.618 1.00 1.00 H new ATOM 0 HB3 LEU A 71 -8.335 4.297 -0.530 1.00 1.00 H new ATOM 0 HG LEU A 71 -6.374 2.177 -1.482 1.00 1.00 H new ATOM 0 HD11 LEU A 71 -8.303 0.593 -1.517 1.00 1.00 H new ATOM 0 HD12 LEU A 71 -7.943 1.125 0.143 1.00 1.00 H new ATOM 0 HD13 LEU A 71 -9.322 1.826 -0.736 1.00 1.00 H new ATOM 0 HD21 LEU A 71 -7.886 2.110 -3.443 1.00 1.00 H new ATOM 0 HD22 LEU A 71 -8.926 3.339 -2.684 1.00 1.00 H new ATOM 0 HD23 LEU A 71 -7.264 3.754 -3.165 1.00 1.00 H new ATOM 1130 N ASN A 72 -5.910 5.587 1.531 1.00 1.00 N ATOM 1131 CA ASN A 72 -5.904 6.653 2.525 1.00 1.00 C ATOM 1132 C ASN A 72 -5.016 7.802 2.066 1.00 1.00 C ATOM 1133 O ASN A 72 -5.264 8.962 2.395 1.00 1.00 O ATOM 1134 CB ASN A 72 -5.395 6.114 3.862 1.00 1.00 C ATOM 1135 CG ASN A 72 -6.570 5.841 4.796 1.00 1.00 C ATOM 1136 OD1 ASN A 72 -7.413 6.801 5.065 1.00 1.00 O flip ATOM 1137 ND2 ASN A 72 -6.723 4.725 5.292 1.00 1.00 N flip ATOM 0 H ASN A 72 -5.644 4.670 1.889 1.00 1.00 H new ATOM 0 HA ASN A 72 -6.923 7.021 2.647 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -4.827 5.198 3.701 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.716 6.834 4.319 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -6.062 3.978 5.079 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -7.510 4.548 5.916 1.00 1.00 H new ATOM 1144 N THR A 73 -3.980 7.472 1.302 1.00 1.00 N ATOM 1145 CA THR A 73 -3.062 8.487 0.803 1.00 1.00 C ATOM 1146 C THR A 73 -3.679 9.235 -0.372 1.00 1.00 C ATOM 1147 O THR A 73 -3.962 10.430 -0.277 1.00 1.00 O ATOM 1148 CB THR A 73 -1.750 7.838 0.360 1.00 1.00 C ATOM 1149 OG1 THR A 73 -1.284 6.968 1.381 1.00 1.00 O ATOM 1150 CG2 THR A 73 -0.708 8.927 0.099 1.00 1.00 C ATOM 0 H THR A 73 -3.757 6.518 1.017 1.00 1.00 H new ATOM 0 HA THR A 73 -2.863 9.194 1.609 1.00 1.00 H new ATOM 0 HB THR A 73 -1.915 7.267 -0.554 1.00 1.00 H new ATOM 0 HG1 THR A 73 -1.844 6.164 1.406 1.00 1.00 H new ATOM 0 HG21 THR A 73 0.228 8.467 -0.217 1.00 1.00 H new ATOM 0 HG22 THR A 73 -1.067 9.594 -0.685 1.00 1.00 H new ATOM 0 HG23 THR A 73 -0.541 9.498 1.013 1.00 1.00 H new ATOM 1158 N LEU A 74 -3.884 8.530 -1.478 1.00 1.00 N ATOM 1159 CA LEU A 74 -4.468 9.149 -2.660 1.00 1.00 C ATOM 1160 C LEU A 74 -5.736 9.906 -2.283 1.00 1.00 C ATOM 1161 O LEU A 74 -6.001 10.986 -2.806 1.00 1.00 O ATOM 1162 CB LEU A 74 -4.790 8.085 -3.716 1.00 1.00 C ATOM 1163 CG LEU A 74 -3.544 7.797 -4.568 1.00 1.00 C ATOM 1164 CD1 LEU A 74 -3.817 6.598 -5.479 1.00 1.00 C ATOM 1165 CD2 LEU A 74 -3.193 9.013 -5.434 1.00 1.00 C ATOM 0 H LEU A 74 -3.657 7.541 -1.581 1.00 1.00 H new ATOM 0 HA LEU A 74 -3.745 9.850 -3.077 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -5.128 7.170 -3.231 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -5.605 8.428 -4.353 1.00 1.00 H new ATOM 0 HG LEU A 74 -2.708 7.581 -3.902 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -2.934 6.392 -6.084 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -4.051 5.725 -4.870 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -4.660 6.822 -6.132 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -2.308 8.791 -6.031 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -4.029 9.242 -6.095 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -2.992 9.871 -4.792 1.00 1.00 H new ATOM 1177 N ASN A 75 -6.514 9.338 -1.368 1.00 1.00 N ATOM 1178 CA ASN A 75 -7.745 9.981 -0.925 1.00 1.00 C ATOM 1179 C ASN A 75 -7.446 11.376 -0.390 1.00 1.00 C ATOM 1180 O ASN A 75 -8.309 12.253 -0.392 1.00 1.00 O ATOM 1181 CB ASN A 75 -8.407 9.141 0.169 1.00 1.00 C ATOM 1182 CG ASN A 75 -8.996 7.870 -0.427 1.00 1.00 C ATOM 1183 OD1 ASN A 75 -8.940 7.665 -1.639 1.00 1.00 O ATOM 1184 ND2 ASN A 75 -9.568 7.000 0.359 1.00 1.00 N ATOM 0 H ASN A 75 -6.317 8.442 -0.922 1.00 1.00 H new ATOM 0 HA ASN A 75 -8.423 10.064 -1.775 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -7.675 8.886 0.935 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -9.191 9.720 0.657 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -9.970 6.147 -0.031 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -9.613 7.172 1.363 1.00 1.00 H new ATOM 1191 N LYS A 76 -6.215 11.571 0.067 1.00 1.00 N ATOM 1192 CA LYS A 76 -5.802 12.862 0.606 1.00 1.00 C ATOM 1193 C LYS A 76 -5.156 13.718 -0.480 1.00 1.00 C ATOM 1194 O LYS A 76 -5.496 14.890 -0.646 1.00 1.00 O ATOM 1195 CB LYS A 76 -4.806 12.652 1.750 1.00 1.00 C ATOM 1196 CG LYS A 76 -5.345 13.303 3.024 1.00 1.00 C ATOM 1197 CD LYS A 76 -4.388 13.021 4.184 1.00 1.00 C ATOM 1198 CE LYS A 76 -4.912 11.840 5.004 1.00 1.00 C ATOM 1199 NZ LYS A 76 -5.136 10.672 4.106 1.00 1.00 N ATOM 0 H LYS A 76 -5.488 10.856 0.076 1.00 1.00 H new ATOM 0 HA LYS A 76 -6.686 13.378 0.980 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -4.644 11.587 1.914 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -3.840 13.084 1.489 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -5.451 14.378 2.879 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -6.337 12.913 3.253 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -3.392 12.798 3.801 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -4.296 13.904 4.816 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -4.197 11.580 5.785 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -5.842 12.113 5.502 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -5.244 9.810 4.678 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -5.998 10.825 3.545 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -4.322 10.564 3.467 1.00 1.00 H new ATOM 1213 N CYS A 77 -4.219 13.125 -1.211 1.00 1.00 N ATOM 1214 CA CYS A 77 -3.524 13.840 -2.276 1.00 1.00 C ATOM 1215 C CYS A 77 -4.420 13.989 -3.501 1.00 1.00 C ATOM 1216 O CYS A 77 -4.124 14.765 -4.410 1.00 1.00 O ATOM 1217 CB CYS A 77 -2.249 13.089 -2.660 1.00 1.00 C ATOM 1218 SG CYS A 77 -1.649 13.690 -4.258 1.00 1.00 S ATOM 0 H CYS A 77 -3.924 12.156 -1.087 1.00 1.00 H new ATOM 0 HA CYS A 77 -3.265 14.834 -1.911 1.00 1.00 H new ATOM 0 HB2 CYS A 77 -1.485 13.234 -1.896 1.00 1.00 H new ATOM 0 HB3 CYS A 77 -2.448 12.019 -2.714 1.00 1.00 H new ATOM 0 HG CYS A 77 -2.488 14.559 -4.738 1.00 1.00 H new ATOM 1224 N ALA A 78 -5.517 13.239 -3.522 1.00 1.00 N ATOM 1225 CA ALA A 78 -6.448 13.296 -4.641 1.00 1.00 C ATOM 1226 C ALA A 78 -6.922 14.726 -4.873 1.00 1.00 C ATOM 1227 O ALA A 78 -7.165 15.134 -6.009 1.00 1.00 O ATOM 1228 CB ALA A 78 -7.654 12.396 -4.364 1.00 1.00 C ATOM 0 H ALA A 78 -5.781 12.589 -2.782 1.00 1.00 H new ATOM 0 HA ALA A 78 -5.932 12.947 -5.535 1.00 1.00 H new ATOM 0 HB1 ALA A 78 -8.345 12.444 -5.206 1.00 1.00 H new ATOM 0 HB2 ALA A 78 -7.318 11.368 -4.229 1.00 1.00 H new ATOM 0 HB3 ALA A 78 -8.160 12.734 -3.459 1.00 1.00 H new