USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=10 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 : amide:sc= -0.624 K(o=-1.2,f=1.7) USER MOD Set 1.2: A 76 LYS NZ :NH3+ -177:sc= -0.597 (180deg=0) USER MOD Set 2.1: A 22 LYS NZ :NH3+ -131:sc= -1.94! (180deg=-2.38) USER MOD Set 2.2: A 25 CYS SG : rot -60:sc= -4.09! USER MOD Single : A 35 GLN : amide:sc= -5.81! C(o=-5.8!,f=-5.2!) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.483 USER MOD Single : A 38 GLN : amide:sc= -2.44 X(o=-2.4,f=-2.3) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 94:sc= -0.658! USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -1.96 K(o=-2,f=-0.35) USER MOD Single : A 53 LYS NZ :NH3+ 155:sc= -0.0256 (180deg=-0.479) USER MOD Single : A 68 CYS SG : rot -77:sc= 0.262 USER MOD Single : A 73 THR OG1 : rot 78:sc= 1.14 USER MOD Single : A 75 ASN : amide:sc= -7.28! C(o=-7.3!,f=-11!) USER MOD Single : A 77 CYS SG : rot -35:sc= 0.133 USER MOD ----------------------------------------------------------------- ATOM 293 N GLU A 20 3.914 8.166 -1.852 1.00 1.00 N ATOM 294 CA GLU A 20 2.860 7.189 -1.615 1.00 1.00 C ATOM 295 C GLU A 20 1.825 7.251 -2.733 1.00 1.00 C ATOM 296 O GLU A 20 1.202 6.246 -3.072 1.00 1.00 O ATOM 297 CB GLU A 20 2.182 7.463 -0.273 1.00 1.00 C ATOM 298 CG GLU A 20 3.055 6.920 0.861 1.00 1.00 C ATOM 299 CD GLU A 20 2.378 7.168 2.205 1.00 1.00 C ATOM 300 OE1 GLU A 20 1.330 6.587 2.434 1.00 1.00 O ATOM 301 OE2 GLU A 20 2.917 7.936 2.984 1.00 1.00 O ATOM 0 HA GLU A 20 3.305 6.194 -1.595 1.00 1.00 H new ATOM 0 HB2 GLU A 20 2.026 8.534 -0.145 1.00 1.00 H new ATOM 0 HB3 GLU A 20 1.199 6.992 -0.247 1.00 1.00 H new ATOM 0 HG2 GLU A 20 3.224 5.852 0.721 1.00 1.00 H new ATOM 0 HG3 GLU A 20 4.032 7.403 0.842 1.00 1.00 H new ATOM 308 N ALA A 21 1.644 8.441 -3.297 1.00 1.00 N ATOM 309 CA ALA A 21 0.676 8.617 -4.374 1.00 1.00 C ATOM 310 C ALA A 21 1.135 7.889 -5.632 1.00 1.00 C ATOM 311 O ALA A 21 0.491 6.942 -6.082 1.00 1.00 O ATOM 312 CB ALA A 21 0.482 10.103 -4.684 1.00 1.00 C ATOM 0 H ALA A 21 2.147 9.287 -3.031 1.00 1.00 H new ATOM 0 HA ALA A 21 -0.274 8.195 -4.046 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -0.243 10.215 -5.490 1.00 1.00 H new ATOM 0 HB2 ALA A 21 0.118 10.616 -3.794 1.00 1.00 H new ATOM 0 HB3 ALA A 21 1.434 10.538 -4.989 1.00 1.00 H new ATOM 318 N LYS A 22 2.250 8.335 -6.199 1.00 1.00 N ATOM 319 CA LYS A 22 2.772 7.708 -7.405 1.00 1.00 C ATOM 320 C LYS A 22 2.878 6.202 -7.214 1.00 1.00 C ATOM 321 O LYS A 22 2.628 5.433 -8.140 1.00 1.00 O ATOM 322 CB LYS A 22 4.148 8.283 -7.748 1.00 1.00 C ATOM 323 CG LYS A 22 4.539 7.859 -9.170 1.00 1.00 C ATOM 324 CD LYS A 22 4.439 9.051 -10.132 1.00 1.00 C ATOM 325 CE LYS A 22 2.976 9.469 -10.301 1.00 1.00 C ATOM 326 NZ LYS A 22 2.159 8.284 -10.693 1.00 1.00 N ATOM 0 H LYS A 22 2.803 9.117 -5.848 1.00 1.00 H new ATOM 0 HA LYS A 22 2.085 7.914 -8.226 1.00 1.00 H new ATOM 0 HB2 LYS A 22 4.129 9.370 -7.674 1.00 1.00 H new ATOM 0 HB3 LYS A 22 4.891 7.928 -7.034 1.00 1.00 H new ATOM 0 HG2 LYS A 22 5.556 7.466 -9.172 1.00 1.00 H new ATOM 0 HG3 LYS A 22 3.886 7.055 -9.509 1.00 1.00 H new ATOM 0 HD2 LYS A 22 5.022 9.888 -9.748 1.00 1.00 H new ATOM 0 HD3 LYS A 22 4.863 8.784 -11.100 1.00 1.00 H new ATOM 0 HE2 LYS A 22 2.598 9.892 -9.370 1.00 1.00 H new ATOM 0 HE3 LYS A 22 2.895 10.247 -11.060 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 1.567 8.526 -11.513 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 2.789 7.495 -10.942 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 1.550 8.004 -9.898 1.00 1.00 H new ATOM 340 N GLU A 23 3.234 5.783 -6.005 1.00 1.00 N ATOM 341 CA GLU A 23 3.350 4.364 -5.713 1.00 1.00 C ATOM 342 C GLU A 23 1.962 3.753 -5.615 1.00 1.00 C ATOM 343 O GLU A 23 1.659 2.766 -6.279 1.00 1.00 O ATOM 344 CB GLU A 23 4.101 4.151 -4.396 1.00 1.00 C ATOM 345 CG GLU A 23 5.609 4.203 -4.654 1.00 1.00 C ATOM 346 CD GLU A 23 6.054 2.946 -5.393 1.00 1.00 C ATOM 347 OE1 GLU A 23 6.122 1.903 -4.763 1.00 1.00 O ATOM 348 OE2 GLU A 23 6.316 3.045 -6.581 1.00 1.00 O ATOM 0 H GLU A 23 3.445 6.400 -5.221 1.00 1.00 H new ATOM 0 HA GLU A 23 3.907 3.881 -6.516 1.00 1.00 H new ATOM 0 HB2 GLU A 23 3.818 4.918 -3.675 1.00 1.00 H new ATOM 0 HB3 GLU A 23 3.829 3.189 -3.961 1.00 1.00 H new ATOM 0 HG2 GLU A 23 5.856 5.087 -5.242 1.00 1.00 H new ATOM 0 HG3 GLU A 23 6.145 4.289 -3.709 1.00 1.00 H new ATOM 355 N ALA A 24 1.126 4.354 -4.778 1.00 1.00 N ATOM 356 CA ALA A 24 -0.236 3.876 -4.586 1.00 1.00 C ATOM 357 C ALA A 24 -0.844 3.409 -5.902 1.00 1.00 C ATOM 358 O ALA A 24 -1.381 2.304 -5.986 1.00 1.00 O ATOM 359 CB ALA A 24 -1.096 4.994 -3.995 1.00 1.00 C ATOM 0 H ALA A 24 1.368 5.174 -4.221 1.00 1.00 H new ATOM 0 HA ALA A 24 -0.207 3.029 -3.900 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -2.115 4.633 -3.853 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -0.683 5.302 -3.035 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -1.105 5.845 -4.676 1.00 1.00 H new ATOM 365 N CYS A 25 -0.766 4.251 -6.927 1.00 1.00 N ATOM 366 CA CYS A 25 -1.323 3.903 -8.230 1.00 1.00 C ATOM 367 C CYS A 25 -0.458 2.865 -8.940 1.00 1.00 C ATOM 368 O CYS A 25 -0.972 1.996 -9.645 1.00 1.00 O ATOM 369 CB CYS A 25 -1.429 5.160 -9.096 1.00 1.00 C ATOM 370 SG CYS A 25 0.028 5.280 -10.164 1.00 1.00 S ATOM 0 H CYS A 25 -0.327 5.171 -6.883 1.00 1.00 H new ATOM 0 HA CYS A 25 -2.313 3.475 -8.074 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -2.335 5.123 -9.701 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -1.504 6.045 -8.464 1.00 1.00 H new ATOM 0 HG CYS A 25 1.099 5.347 -9.431 1.00 1.00 H new ATOM 376 N ASP A 26 0.855 2.957 -8.753 1.00 1.00 N ATOM 377 CA ASP A 26 1.772 2.013 -9.387 1.00 1.00 C ATOM 378 C ASP A 26 1.786 0.687 -8.630 1.00 1.00 C ATOM 379 O ASP A 26 2.283 -0.321 -9.132 1.00 1.00 O ATOM 380 CB ASP A 26 3.186 2.599 -9.419 1.00 1.00 C ATOM 381 CG ASP A 26 3.994 1.967 -10.546 1.00 1.00 C ATOM 382 OD1 ASP A 26 3.568 0.946 -11.060 1.00 1.00 O ATOM 383 OD2 ASP A 26 5.027 2.519 -10.884 1.00 1.00 O ATOM 0 H ASP A 26 1.305 3.667 -8.175 1.00 1.00 H new ATOM 0 HA ASP A 26 1.430 1.833 -10.406 1.00 1.00 H new ATOM 0 HB2 ASP A 26 3.137 3.679 -9.559 1.00 1.00 H new ATOM 0 HB3 ASP A 26 3.682 2.424 -8.464 1.00 1.00 H new ATOM 388 N TRP A 27 1.238 0.701 -7.421 1.00 1.00 N ATOM 389 CA TRP A 27 1.188 -0.501 -6.597 1.00 1.00 C ATOM 390 C TRP A 27 -0.131 -1.236 -6.811 1.00 1.00 C ATOM 391 O TRP A 27 -0.145 -2.430 -7.113 1.00 1.00 O ATOM 392 CB TRP A 27 1.339 -0.127 -5.121 1.00 1.00 C ATOM 393 CG TRP A 27 1.361 -1.370 -4.289 1.00 1.00 C ATOM 394 CD1 TRP A 27 2.456 -2.128 -4.051 1.00 1.00 C ATOM 395 CD2 TRP A 27 0.258 -2.005 -3.581 1.00 1.00 C ATOM 396 NE1 TRP A 27 2.095 -3.190 -3.242 1.00 1.00 N ATOM 397 CE2 TRP A 27 0.751 -3.159 -2.925 1.00 1.00 C ATOM 398 CE3 TRP A 27 -1.108 -1.699 -3.446 1.00 1.00 C ATOM 399 CZ2 TRP A 27 -0.082 -3.978 -2.162 1.00 1.00 C ATOM 400 CZ3 TRP A 27 -1.949 -2.521 -2.678 1.00 1.00 C ATOM 401 CH2 TRP A 27 -1.438 -3.658 -2.037 1.00 1.00 C ATOM 0 H TRP A 27 0.823 1.528 -6.990 1.00 1.00 H new ATOM 0 HA TRP A 27 2.008 -1.158 -6.887 1.00 1.00 H new ATOM 0 HB2 TRP A 27 2.258 0.440 -4.971 1.00 1.00 H new ATOM 0 HB3 TRP A 27 0.514 0.515 -4.812 1.00 1.00 H new ATOM 0 HD1 TRP A 27 3.449 -1.935 -4.430 1.00 1.00 H new ATOM 0 HE1 TRP A 27 2.743 -3.909 -2.919 1.00 1.00 H new ATOM 0 HE3 TRP A 27 -1.513 -0.826 -3.936 1.00 1.00 H new ATOM 0 HZ2 TRP A 27 0.317 -4.853 -1.671 1.00 1.00 H new ATOM 0 HZ3 TRP A 27 -2.996 -2.275 -2.581 1.00 1.00 H new ATOM 0 HH2 TRP A 27 -2.090 -4.286 -1.448 1.00 1.00 H new ATOM 412 N LEU A 28 -1.236 -0.514 -6.660 1.00 1.00 N ATOM 413 CA LEU A 28 -2.554 -1.111 -6.847 1.00 1.00 C ATOM 414 C LEU A 28 -2.558 -1.972 -8.106 1.00 1.00 C ATOM 415 O LEU A 28 -3.334 -2.922 -8.220 1.00 1.00 O ATOM 416 CB LEU A 28 -3.616 -0.014 -6.969 1.00 1.00 C ATOM 417 CG LEU A 28 -3.924 0.571 -5.585 1.00 1.00 C ATOM 418 CD1 LEU A 28 -4.484 1.985 -5.745 1.00 1.00 C ATOM 419 CD2 LEU A 28 -4.959 -0.301 -4.865 1.00 1.00 C ATOM 0 H LEU A 28 -1.247 0.475 -6.411 1.00 1.00 H new ATOM 0 HA LEU A 28 -2.785 -1.735 -5.983 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -3.263 0.773 -7.636 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -4.525 -0.423 -7.411 1.00 1.00 H new ATOM 0 HG LEU A 28 -3.006 0.599 -4.998 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -4.704 2.403 -4.762 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -3.749 2.612 -6.250 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -5.399 1.949 -6.337 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -5.171 0.122 -3.883 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -5.877 -0.335 -5.452 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -4.565 -1.311 -4.747 1.00 1.00 H new ATOM 431 N ARG A 29 -1.685 -1.627 -9.047 1.00 1.00 N ATOM 432 CA ARG A 29 -1.585 -2.367 -10.300 1.00 1.00 C ATOM 433 C ARG A 29 -0.804 -3.661 -10.098 1.00 1.00 C ATOM 434 O ARG A 29 -1.083 -4.675 -10.739 1.00 1.00 O ATOM 435 CB ARG A 29 -0.878 -1.508 -11.353 1.00 1.00 C ATOM 436 CG ARG A 29 -1.911 -0.816 -12.245 1.00 1.00 C ATOM 437 CD ARG A 29 -1.288 0.435 -12.869 1.00 1.00 C ATOM 438 NE ARG A 29 -1.566 1.601 -12.038 1.00 1.00 N ATOM 439 CZ ARG A 29 -1.458 2.833 -12.522 1.00 1.00 C ATOM 440 NH1 ARG A 29 -1.094 3.018 -13.762 1.00 1.00 N ATOM 441 NH2 ARG A 29 -1.717 3.859 -11.759 1.00 1.00 N ATOM 0 H ARG A 29 -1.038 -0.842 -8.966 1.00 1.00 H new ATOM 0 HA ARG A 29 -2.592 -2.611 -10.638 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -0.250 -0.763 -10.864 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -0.220 -2.130 -11.960 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -2.247 -1.497 -13.027 1.00 1.00 H new ATOM 0 HG3 ARG A 29 -2.790 -0.545 -11.660 1.00 1.00 H new ATOM 0 HD2 ARG A 29 -0.211 0.301 -12.973 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -1.688 0.589 -13.871 1.00 1.00 H new ATOM 0 HE ARG A 29 -1.849 1.468 -11.067 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -0.892 2.216 -14.359 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -1.011 3.964 -14.133 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -2.003 3.715 -10.790 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -1.634 4.805 -12.131 1.00 1.00 H new ATOM 455 N ALA A 30 0.174 -3.620 -9.200 1.00 1.00 N ATOM 456 CA ALA A 30 0.990 -4.796 -8.921 1.00 1.00 C ATOM 457 C ALA A 30 0.358 -5.635 -7.816 1.00 1.00 C ATOM 458 O ALA A 30 0.845 -6.716 -7.490 1.00 1.00 O ATOM 459 CB ALA A 30 2.396 -4.369 -8.497 1.00 1.00 C ATOM 0 H ALA A 30 0.420 -2.792 -8.657 1.00 1.00 H new ATOM 0 HA ALA A 30 1.051 -5.396 -9.829 1.00 1.00 H new ATOM 0 HB1 ALA A 30 2.998 -5.254 -8.291 1.00 1.00 H new ATOM 0 HB2 ALA A 30 2.859 -3.794 -9.299 1.00 1.00 H new ATOM 0 HB3 ALA A 30 2.334 -3.755 -7.599 1.00 1.00 H new ATOM 465 N ALA A 31 -0.727 -5.128 -7.244 1.00 1.00 N ATOM 466 CA ALA A 31 -1.418 -5.837 -6.176 1.00 1.00 C ATOM 467 C ALA A 31 -2.531 -6.711 -6.743 1.00 1.00 C ATOM 468 O ALA A 31 -3.070 -7.574 -6.049 1.00 1.00 O ATOM 469 CB ALA A 31 -2.008 -4.834 -5.183 1.00 1.00 C ATOM 0 H ALA A 31 -1.145 -4.234 -7.500 1.00 1.00 H new ATOM 0 HA ALA A 31 -0.698 -6.476 -5.664 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -2.524 -5.371 -4.387 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -1.207 -4.232 -4.755 1.00 1.00 H new ATOM 0 HB3 ALA A 31 -2.715 -4.184 -5.699 1.00 1.00 H new ATOM 475 N GLY A 32 -2.870 -6.484 -8.007 1.00 1.00 N ATOM 476 CA GLY A 32 -3.920 -7.260 -8.657 1.00 1.00 C ATOM 477 C GLY A 32 -5.251 -6.516 -8.616 1.00 1.00 C ATOM 478 O GLY A 32 -6.302 -7.093 -8.891 1.00 1.00 O ATOM 0 H GLY A 32 -2.437 -5.775 -8.598 1.00 1.00 H new ATOM 0 HA2 GLY A 32 -3.642 -7.460 -9.692 1.00 1.00 H new ATOM 0 HA3 GLY A 32 -4.023 -8.226 -8.162 1.00 1.00 H new ATOM 482 N PHE A 33 -5.195 -5.234 -8.269 1.00 1.00 N ATOM 483 CA PHE A 33 -6.402 -4.419 -8.195 1.00 1.00 C ATOM 484 C PHE A 33 -6.167 -3.056 -8.839 1.00 1.00 C ATOM 485 O PHE A 33 -6.054 -2.045 -8.148 1.00 1.00 O ATOM 486 CB PHE A 33 -6.814 -4.228 -6.733 1.00 1.00 C ATOM 487 CG PHE A 33 -6.735 -5.554 -6.009 1.00 1.00 C ATOM 488 CD1 PHE A 33 -7.500 -6.638 -6.454 1.00 1.00 C ATOM 489 CD2 PHE A 33 -5.898 -5.697 -4.896 1.00 1.00 C ATOM 490 CE1 PHE A 33 -7.430 -7.866 -5.785 1.00 1.00 C ATOM 491 CE2 PHE A 33 -5.827 -6.924 -4.227 1.00 1.00 C ATOM 492 CZ PHE A 33 -6.593 -8.009 -4.671 1.00 1.00 C ATOM 0 H PHE A 33 -4.333 -4.740 -8.036 1.00 1.00 H new ATOM 0 HA PHE A 33 -7.198 -4.932 -8.734 1.00 1.00 H new ATOM 0 HB2 PHE A 33 -6.161 -3.500 -6.252 1.00 1.00 H new ATOM 0 HB3 PHE A 33 -7.828 -3.832 -6.679 1.00 1.00 H new ATOM 0 HD1 PHE A 33 -8.144 -6.527 -7.314 1.00 1.00 H new ATOM 0 HD2 PHE A 33 -5.307 -4.860 -4.554 1.00 1.00 H new ATOM 0 HE1 PHE A 33 -8.021 -8.702 -6.128 1.00 1.00 H new ATOM 0 HE2 PHE A 33 -5.181 -7.034 -3.368 1.00 1.00 H new ATOM 0 HZ PHE A 33 -6.538 -8.956 -4.155 1.00 1.00 H new ATOM 502 N PRO A 34 -6.089 -3.016 -10.144 1.00 1.00 N ATOM 503 CA PRO A 34 -5.858 -1.753 -10.895 1.00 1.00 C ATOM 504 C PRO A 34 -7.137 -0.936 -11.054 1.00 1.00 C ATOM 505 O PRO A 34 -7.104 0.199 -11.529 1.00 1.00 O ATOM 506 CB PRO A 34 -5.345 -2.238 -12.250 1.00 1.00 C ATOM 507 CG PRO A 34 -5.928 -3.600 -12.438 1.00 1.00 C ATOM 508 CD PRO A 34 -6.214 -4.172 -11.046 1.00 1.00 C ATOM 0 HA PRO A 34 -5.164 -1.087 -10.382 1.00 1.00 H new ATOM 0 HB2 PRO A 34 -5.655 -1.565 -13.050 1.00 1.00 H new ATOM 0 HB3 PRO A 34 -4.256 -2.272 -12.267 1.00 1.00 H new ATOM 0 HG2 PRO A 34 -6.844 -3.548 -13.027 1.00 1.00 H new ATOM 0 HG3 PRO A 34 -5.235 -4.242 -12.982 1.00 1.00 H new ATOM 0 HD2 PRO A 34 -7.210 -4.611 -10.994 1.00 1.00 H new ATOM 0 HD3 PRO A 34 -5.505 -4.958 -10.786 1.00 1.00 H new ATOM 516 N GLN A 35 -8.260 -1.522 -10.654 1.00 1.00 N ATOM 517 CA GLN A 35 -9.542 -0.837 -10.756 1.00 1.00 C ATOM 518 C GLN A 35 -9.559 0.403 -9.870 1.00 1.00 C ATOM 519 O GLN A 35 -10.396 1.289 -10.044 1.00 1.00 O ATOM 520 CB GLN A 35 -10.670 -1.781 -10.337 1.00 1.00 C ATOM 521 CG GLN A 35 -10.642 -1.966 -8.818 1.00 1.00 C ATOM 522 CD GLN A 35 -11.536 -0.927 -8.149 1.00 1.00 C ATOM 523 OE1 GLN A 35 -11.118 -0.269 -7.195 1.00 1.00 O ATOM 524 NE2 GLN A 35 -12.748 -0.737 -8.593 1.00 1.00 N ATOM 0 H GLN A 35 -8.309 -2.461 -10.260 1.00 1.00 H new ATOM 0 HA GLN A 35 -9.689 -0.531 -11.792 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -11.633 -1.375 -10.647 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -10.556 -2.745 -10.834 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -10.980 -2.969 -8.559 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -9.620 -1.869 -8.450 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -13.093 -1.282 -9.383 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -13.350 -0.043 -8.150 1.00 1.00 H new ATOM 533 N TYR A 36 -8.632 0.460 -8.920 1.00 1.00 N ATOM 534 CA TYR A 36 -8.557 1.601 -8.013 1.00 1.00 C ATOM 535 C TYR A 36 -7.909 2.793 -8.703 1.00 1.00 C ATOM 536 O TYR A 36 -8.566 3.796 -8.959 1.00 1.00 O ATOM 537 CB TYR A 36 -7.747 1.231 -6.772 1.00 1.00 C ATOM 538 CG TYR A 36 -8.571 0.331 -5.886 1.00 1.00 C ATOM 539 CD1 TYR A 36 -9.722 0.826 -5.260 1.00 1.00 C ATOM 540 CD2 TYR A 36 -8.187 -1.002 -5.693 1.00 1.00 C ATOM 541 CE1 TYR A 36 -10.487 -0.010 -4.441 1.00 1.00 C ATOM 542 CE2 TYR A 36 -8.953 -1.838 -4.872 1.00 1.00 C ATOM 543 CZ TYR A 36 -10.103 -1.343 -4.246 1.00 1.00 C ATOM 544 OH TYR A 36 -10.856 -2.166 -3.437 1.00 1.00 O ATOM 0 H TYR A 36 -7.929 -0.261 -8.758 1.00 1.00 H new ATOM 0 HA TYR A 36 -9.571 1.871 -7.719 1.00 1.00 H new ATOM 0 HB2 TYR A 36 -6.825 0.728 -7.063 1.00 1.00 H new ATOM 0 HB3 TYR A 36 -7.461 2.132 -6.229 1.00 1.00 H new ATOM 0 HD1 TYR A 36 -10.019 1.854 -5.410 1.00 1.00 H new ATOM 0 HD2 TYR A 36 -7.301 -1.385 -6.177 1.00 1.00 H new ATOM 0 HE1 TYR A 36 -11.374 0.372 -3.958 1.00 1.00 H new ATOM 0 HE2 TYR A 36 -8.656 -2.866 -4.721 1.00 1.00 H new ATOM 0 HH TYR A 36 -10.451 -3.058 -3.411 1.00 1.00 H new ATOM 554 N ALA A 37 -6.616 2.665 -8.997 1.00 1.00 N ATOM 555 CA ALA A 37 -5.867 3.734 -9.657 1.00 1.00 C ATOM 556 C ALA A 37 -6.742 4.464 -10.670 1.00 1.00 C ATOM 557 O ALA A 37 -6.674 5.686 -10.799 1.00 1.00 O ATOM 558 CB ALA A 37 -4.643 3.150 -10.366 1.00 1.00 C ATOM 0 H ALA A 37 -6.065 1.832 -8.789 1.00 1.00 H new ATOM 0 HA ALA A 37 -5.545 4.446 -8.897 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -4.089 3.951 -10.856 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -4.000 2.658 -9.636 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -4.967 2.424 -11.112 1.00 1.00 H new ATOM 564 N GLN A 38 -7.564 3.706 -11.380 1.00 1.00 N ATOM 565 CA GLN A 38 -8.455 4.283 -12.376 1.00 1.00 C ATOM 566 C GLN A 38 -9.208 5.475 -11.792 1.00 1.00 C ATOM 567 O GLN A 38 -9.352 6.512 -12.440 1.00 1.00 O ATOM 568 CB GLN A 38 -9.453 3.225 -12.844 1.00 1.00 C ATOM 569 CG GLN A 38 -9.181 2.878 -14.310 1.00 1.00 C ATOM 570 CD GLN A 38 -9.496 4.077 -15.195 1.00 1.00 C ATOM 571 OE1 GLN A 38 -8.801 4.321 -16.182 1.00 1.00 O ATOM 572 NE2 GLN A 38 -10.509 4.846 -14.902 1.00 1.00 N ATOM 0 H GLN A 38 -7.633 2.693 -11.286 1.00 1.00 H new ATOM 0 HA GLN A 38 -7.860 4.626 -13.223 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -9.368 2.331 -12.226 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -10.472 3.595 -12.730 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -8.138 2.586 -14.436 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -9.789 2.025 -14.609 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -11.084 4.643 -14.084 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -10.726 5.650 -15.491 1.00 1.00 H new ATOM 581 N LEU A 39 -9.691 5.315 -10.564 1.00 1.00 N ATOM 582 CA LEU A 39 -10.434 6.377 -9.894 1.00 1.00 C ATOM 583 C LEU A 39 -9.595 7.649 -9.786 1.00 1.00 C ATOM 584 O LEU A 39 -10.136 8.755 -9.772 1.00 1.00 O ATOM 585 CB LEU A 39 -10.855 5.913 -8.495 1.00 1.00 C ATOM 586 CG LEU A 39 -12.072 4.987 -8.599 1.00 1.00 C ATOM 587 CD1 LEU A 39 -12.078 4.013 -7.421 1.00 1.00 C ATOM 588 CD2 LEU A 39 -13.364 5.814 -8.572 1.00 1.00 C ATOM 0 H LEU A 39 -9.582 4.463 -10.014 1.00 1.00 H new ATOM 0 HA LEU A 39 -11.321 6.601 -10.487 1.00 1.00 H new ATOM 0 HB2 LEU A 39 -10.029 5.391 -8.011 1.00 1.00 H new ATOM 0 HB3 LEU A 39 -11.095 6.775 -7.873 1.00 1.00 H new ATOM 0 HG LEU A 39 -12.015 4.433 -9.536 1.00 1.00 H new ATOM 0 HD11 LEU A 39 -12.944 3.356 -7.497 1.00 1.00 H new ATOM 0 HD12 LEU A 39 -11.166 3.416 -7.438 1.00 1.00 H new ATOM 0 HD13 LEU A 39 -12.128 4.572 -6.487 1.00 1.00 H new ATOM 0 HD21 LEU A 39 -14.224 5.148 -8.646 1.00 1.00 H new ATOM 0 HD22 LEU A 39 -13.418 6.374 -7.638 1.00 1.00 H new ATOM 0 HD23 LEU A 39 -13.369 6.508 -9.412 1.00 1.00 H new ATOM 600 N TYR A 40 -8.276 7.491 -9.709 1.00 1.00 N ATOM 601 CA TYR A 40 -7.386 8.645 -9.604 1.00 1.00 C ATOM 602 C TYR A 40 -7.627 9.607 -10.760 1.00 1.00 C ATOM 603 O TYR A 40 -7.961 10.774 -10.549 1.00 1.00 O ATOM 604 CB TYR A 40 -5.925 8.190 -9.606 1.00 1.00 C ATOM 605 CG TYR A 40 -5.031 9.350 -9.225 1.00 1.00 C ATOM 606 CD1 TYR A 40 -5.091 9.884 -7.932 1.00 1.00 C ATOM 607 CD2 TYR A 40 -4.144 9.888 -10.164 1.00 1.00 C ATOM 608 CE1 TYR A 40 -4.263 10.957 -7.580 1.00 1.00 C ATOM 609 CE2 TYR A 40 -3.316 10.962 -9.813 1.00 1.00 C ATOM 610 CZ TYR A 40 -3.377 11.496 -8.518 1.00 1.00 C ATOM 611 OH TYR A 40 -2.561 12.553 -8.171 1.00 1.00 O ATOM 0 H TYR A 40 -7.804 6.587 -9.717 1.00 1.00 H new ATOM 0 HA TYR A 40 -7.597 9.158 -8.666 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -5.789 7.367 -8.904 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -5.652 7.816 -10.593 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -5.775 9.469 -7.207 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -4.098 9.475 -11.161 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -4.309 11.369 -6.583 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -2.632 11.378 -10.538 1.00 1.00 H new ATOM 0 HH TYR A 40 -2.007 12.804 -8.939 1.00 1.00 H new ATOM 621 N GLU A 41 -7.457 9.115 -11.982 1.00 1.00 N ATOM 622 CA GLU A 41 -7.662 9.944 -13.162 1.00 1.00 C ATOM 623 C GLU A 41 -8.906 10.810 -12.995 1.00 1.00 C ATOM 624 O GLU A 41 -8.939 11.959 -13.435 1.00 1.00 O ATOM 625 CB GLU A 41 -7.811 9.061 -14.402 1.00 1.00 C ATOM 626 CG GLU A 41 -6.534 8.246 -14.607 1.00 1.00 C ATOM 627 CD GLU A 41 -6.860 6.932 -15.310 1.00 1.00 C ATOM 628 OE1 GLU A 41 -7.807 6.281 -14.898 1.00 1.00 O ATOM 629 OE2 GLU A 41 -6.158 6.597 -16.250 1.00 1.00 O ATOM 0 H GLU A 41 -7.180 8.154 -12.180 1.00 1.00 H new ATOM 0 HA GLU A 41 -6.795 10.593 -13.284 1.00 1.00 H new ATOM 0 HB2 GLU A 41 -8.665 8.394 -14.286 1.00 1.00 H new ATOM 0 HB3 GLU A 41 -8.005 9.678 -15.279 1.00 1.00 H new ATOM 0 HG2 GLU A 41 -5.820 8.817 -15.200 1.00 1.00 H new ATOM 0 HG3 GLU A 41 -6.062 8.046 -13.645 1.00 1.00 H new ATOM 636 N ASP A 42 -9.929 10.251 -12.355 1.00 1.00 N ATOM 637 CA ASP A 42 -11.172 10.982 -12.133 1.00 1.00 C ATOM 638 C ASP A 42 -11.100 11.780 -10.835 1.00 1.00 C ATOM 639 O ASP A 42 -11.823 12.759 -10.656 1.00 1.00 O ATOM 640 CB ASP A 42 -12.347 10.004 -12.069 1.00 1.00 C ATOM 641 CG ASP A 42 -13.663 10.757 -12.239 1.00 1.00 C ATOM 642 OD1 ASP A 42 -13.684 11.945 -11.959 1.00 1.00 O ATOM 643 OD2 ASP A 42 -14.630 10.134 -12.643 1.00 1.00 O ATOM 0 H ASP A 42 -9.922 9.301 -11.983 1.00 1.00 H new ATOM 0 HA ASP A 42 -11.319 11.673 -12.963 1.00 1.00 H new ATOM 0 HB2 ASP A 42 -12.246 9.250 -12.850 1.00 1.00 H new ATOM 0 HB3 ASP A 42 -12.341 9.477 -11.115 1.00 1.00 H new ATOM 648 N SER A 43 -10.224 11.352 -9.932 1.00 1.00 N ATOM 649 CA SER A 43 -10.064 12.031 -8.652 1.00 1.00 C ATOM 650 C SER A 43 -11.180 11.634 -7.690 1.00 1.00 C ATOM 651 O SER A 43 -11.483 12.359 -6.742 1.00 1.00 O ATOM 652 CB SER A 43 -10.080 13.546 -8.858 1.00 1.00 C ATOM 653 OG SER A 43 -9.623 13.846 -10.170 1.00 1.00 O ATOM 0 H SER A 43 -9.617 10.543 -10.062 1.00 1.00 H new ATOM 0 HA SER A 43 -9.107 11.733 -8.222 1.00 1.00 H new ATOM 0 HB2 SER A 43 -11.089 13.934 -8.714 1.00 1.00 H new ATOM 0 HB3 SER A 43 -9.443 14.032 -8.119 1.00 1.00 H new ATOM 0 HG SER A 43 -10.391 13.926 -10.774 1.00 1.00 H new ATOM 659 N GLN A 44 -11.787 10.479 -7.942 1.00 1.00 N ATOM 660 CA GLN A 44 -12.868 9.995 -7.091 1.00 1.00 C ATOM 661 C GLN A 44 -12.349 8.943 -6.114 1.00 1.00 C ATOM 662 O GLN A 44 -13.092 8.059 -5.686 1.00 1.00 O ATOM 663 CB GLN A 44 -13.981 9.394 -7.951 1.00 1.00 C ATOM 664 CG GLN A 44 -14.624 10.495 -8.795 1.00 1.00 C ATOM 665 CD GLN A 44 -15.905 10.982 -8.126 1.00 1.00 C ATOM 666 OE1 GLN A 44 -15.932 12.072 -7.552 1.00 1.00 O ATOM 667 NE2 GLN A 44 -16.973 10.236 -8.165 1.00 1.00 N ATOM 0 H GLN A 44 -11.552 9.865 -8.722 1.00 1.00 H new ATOM 0 HA GLN A 44 -13.265 10.837 -6.523 1.00 1.00 H new ATOM 0 HB2 GLN A 44 -13.576 8.616 -8.597 1.00 1.00 H new ATOM 0 HB3 GLN A 44 -14.731 8.923 -7.316 1.00 1.00 H new ATOM 0 HG2 GLN A 44 -13.928 11.325 -8.916 1.00 1.00 H new ATOM 0 HG3 GLN A 44 -14.846 10.117 -9.793 1.00 1.00 H new ATOM 0 HE21 GLN A 44 -16.948 9.334 -8.641 1.00 1.00 H new ATOM 0 HE22 GLN A 44 -17.834 10.554 -7.720 1.00 1.00 H new ATOM 676 N PHE A 45 -11.071 9.047 -5.770 1.00 1.00 N ATOM 677 CA PHE A 45 -10.457 8.102 -4.844 1.00 1.00 C ATOM 678 C PHE A 45 -11.083 8.201 -3.464 1.00 1.00 C ATOM 679 O PHE A 45 -11.314 7.184 -2.813 1.00 1.00 O ATOM 680 CB PHE A 45 -8.954 8.364 -4.741 1.00 1.00 C ATOM 681 CG PHE A 45 -8.196 7.178 -5.289 1.00 1.00 C ATOM 682 CD1 PHE A 45 -8.166 6.946 -6.670 1.00 1.00 C ATOM 683 CD2 PHE A 45 -7.519 6.316 -4.420 1.00 1.00 C ATOM 684 CE1 PHE A 45 -7.459 5.851 -7.180 1.00 1.00 C ATOM 685 CE2 PHE A 45 -6.812 5.220 -4.931 1.00 1.00 C ATOM 686 CZ PHE A 45 -6.782 4.988 -6.310 1.00 1.00 C ATOM 0 H PHE A 45 -10.442 9.772 -6.116 1.00 1.00 H new ATOM 0 HA PHE A 45 -10.627 7.098 -5.232 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -8.692 9.264 -5.297 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -8.675 8.539 -3.702 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -8.688 7.612 -7.341 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -7.541 6.495 -3.355 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -7.436 5.672 -8.245 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -6.290 4.554 -4.260 1.00 1.00 H new ATOM 0 HZ PHE A 45 -6.237 4.143 -6.704 1.00 1.00 H new ATOM 696 N PRO A 46 -11.358 9.386 -2.995 1.00 1.00 N ATOM 697 CA PRO A 46 -11.964 9.555 -1.655 1.00 1.00 C ATOM 698 C PRO A 46 -13.357 8.942 -1.594 1.00 1.00 C ATOM 699 O PRO A 46 -14.284 9.409 -2.253 1.00 1.00 O ATOM 700 CB PRO A 46 -12.028 11.077 -1.451 1.00 1.00 C ATOM 701 CG PRO A 46 -11.192 11.685 -2.534 1.00 1.00 C ATOM 702 CD PRO A 46 -11.123 10.666 -3.669 1.00 1.00 C ATOM 0 HA PRO A 46 -11.385 9.053 -0.880 1.00 1.00 H new ATOM 0 HB2 PRO A 46 -13.056 11.433 -1.508 1.00 1.00 H new ATOM 0 HB3 PRO A 46 -11.649 11.353 -0.467 1.00 1.00 H new ATOM 0 HG2 PRO A 46 -11.631 12.620 -2.881 1.00 1.00 H new ATOM 0 HG3 PRO A 46 -10.194 11.920 -2.165 1.00 1.00 H new ATOM 0 HD2 PRO A 46 -11.877 10.863 -4.431 1.00 1.00 H new ATOM 0 HD3 PRO A 46 -10.154 10.685 -4.167 1.00 1.00 H new ATOM 710 N ILE A 47 -13.481 7.907 -0.777 1.00 1.00 N ATOM 711 CA ILE A 47 -14.751 7.206 -0.585 1.00 1.00 C ATOM 712 C ILE A 47 -14.618 6.243 0.589 1.00 1.00 C ATOM 713 O ILE A 47 -13.550 6.133 1.191 1.00 1.00 O ATOM 714 CB ILE A 47 -15.136 6.401 -1.841 1.00 1.00 C ATOM 715 CG1 ILE A 47 -13.888 5.714 -2.400 1.00 1.00 C ATOM 716 CG2 ILE A 47 -15.740 7.302 -2.931 1.00 1.00 C ATOM 717 CD1 ILE A 47 -14.268 4.343 -2.964 1.00 1.00 C ATOM 0 H ILE A 47 -12.710 7.527 -0.228 1.00 1.00 H new ATOM 0 HA ILE A 47 -15.526 7.948 -0.391 1.00 1.00 H new ATOM 0 HB ILE A 47 -15.886 5.665 -1.552 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -13.441 6.329 -3.181 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -13.140 5.601 -1.615 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -15.999 6.698 -3.801 1.00 1.00 H new ATOM 0 HG22 ILE A 47 -16.637 7.787 -2.546 1.00 1.00 H new ATOM 0 HG23 ILE A 47 -15.013 8.061 -3.220 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -13.379 3.854 -3.362 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -14.695 3.729 -2.171 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -15.001 4.468 -3.761 1.00 1.00 H new ATOM 729 N ASN A 48 -15.697 5.539 0.905 1.00 1.00 N ATOM 730 CA ASN A 48 -15.669 4.581 2.003 1.00 1.00 C ATOM 731 C ASN A 48 -14.527 3.585 1.798 1.00 1.00 C ATOM 732 O ASN A 48 -14.668 2.602 1.073 1.00 1.00 O ATOM 733 CB ASN A 48 -17.008 3.841 2.083 1.00 1.00 C ATOM 734 CG ASN A 48 -17.502 3.802 3.525 1.00 1.00 C ATOM 735 OD1 ASN A 48 -18.541 4.381 3.840 1.00 1.00 O ATOM 736 ND2 ASN A 48 -16.820 3.143 4.422 1.00 1.00 N ATOM 0 H ASN A 48 -16.593 5.611 0.423 1.00 1.00 H new ATOM 0 HA ASN A 48 -15.505 5.115 2.939 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -17.745 4.338 1.452 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -16.894 2.826 1.702 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -17.148 3.107 5.387 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -15.959 2.664 4.158 1.00 1.00 H new ATOM 743 N ILE A 49 -13.388 3.859 2.428 1.00 1.00 N ATOM 744 CA ILE A 49 -12.222 2.989 2.297 1.00 1.00 C ATOM 745 C ILE A 49 -12.475 1.630 2.941 1.00 1.00 C ATOM 746 O ILE A 49 -12.333 0.590 2.300 1.00 1.00 O ATOM 747 CB ILE A 49 -11.003 3.633 2.964 1.00 1.00 C ATOM 748 CG1 ILE A 49 -10.563 4.861 2.158 1.00 1.00 C ATOM 749 CG2 ILE A 49 -9.860 2.615 3.015 1.00 1.00 C ATOM 750 CD1 ILE A 49 -9.508 5.645 2.945 1.00 1.00 C ATOM 0 H ILE A 49 -13.247 4.670 3.030 1.00 1.00 H new ATOM 0 HA ILE A 49 -12.033 2.849 1.233 1.00 1.00 H new ATOM 0 HB ILE A 49 -11.262 3.943 3.976 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -10.156 4.550 1.196 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -11.423 5.498 1.949 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -8.990 3.069 3.489 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -10.174 1.744 3.590 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -9.602 2.307 2.002 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -9.198 6.517 2.369 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -9.930 5.970 3.896 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -8.644 5.007 3.131 1.00 1.00 H new ATOM 762 N VAL A 50 -12.828 1.651 4.220 1.00 1.00 N ATOM 763 CA VAL A 50 -13.077 0.421 4.962 1.00 1.00 C ATOM 764 C VAL A 50 -14.008 -0.530 4.208 1.00 1.00 C ATOM 765 O VAL A 50 -13.778 -1.739 4.182 1.00 1.00 O ATOM 766 CB VAL A 50 -13.685 0.752 6.327 1.00 1.00 C ATOM 767 CG1 VAL A 50 -14.792 1.796 6.163 1.00 1.00 C ATOM 768 CG2 VAL A 50 -14.276 -0.519 6.941 1.00 1.00 C ATOM 0 H VAL A 50 -12.948 2.505 4.765 1.00 1.00 H new ATOM 0 HA VAL A 50 -12.118 -0.082 5.088 1.00 1.00 H new ATOM 0 HB VAL A 50 -12.908 1.150 6.979 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -15.221 2.028 7.138 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -14.375 2.703 5.725 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -15.570 1.402 5.509 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -14.710 -0.286 7.913 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -15.050 -0.914 6.284 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -13.489 -1.264 7.064 1.00 1.00 H new ATOM 778 N ALA A 51 -15.076 0.008 3.626 1.00 1.00 N ATOM 779 CA ALA A 51 -16.048 -0.819 2.916 1.00 1.00 C ATOM 780 C ALA A 51 -15.494 -1.273 1.584 1.00 1.00 C ATOM 781 O ALA A 51 -15.941 -2.267 1.016 1.00 1.00 O ATOM 782 CB ALA A 51 -17.331 -0.023 2.680 1.00 1.00 C ATOM 0 H ALA A 51 -15.290 1.005 3.631 1.00 1.00 H new ATOM 0 HA ALA A 51 -16.262 -1.696 3.527 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -18.053 -0.645 2.150 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -17.751 0.283 3.638 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -17.106 0.861 2.083 1.00 1.00 H new ATOM 788 N VAL A 52 -14.525 -0.532 1.093 1.00 1.00 N ATOM 789 CA VAL A 52 -13.910 -0.847 -0.178 1.00 1.00 C ATOM 790 C VAL A 52 -13.035 -2.094 -0.043 1.00 1.00 C ATOM 791 O VAL A 52 -13.143 -3.029 -0.837 1.00 1.00 O ATOM 792 CB VAL A 52 -13.117 0.382 -0.638 1.00 1.00 C ATOM 793 CG1 VAL A 52 -11.675 0.028 -0.992 1.00 1.00 C ATOM 794 CG2 VAL A 52 -13.814 0.992 -1.849 1.00 1.00 C ATOM 0 H VAL A 52 -14.145 0.294 1.555 1.00 1.00 H new ATOM 0 HA VAL A 52 -14.662 -1.078 -0.933 1.00 1.00 H new ATOM 0 HB VAL A 52 -13.083 1.098 0.183 1.00 1.00 H new ATOM 0 HG11 VAL A 52 -11.148 0.927 -1.313 1.00 1.00 H new ATOM 0 HG12 VAL A 52 -11.178 -0.391 -0.117 1.00 1.00 H new ATOM 0 HG13 VAL A 52 -11.668 -0.705 -1.799 1.00 1.00 H new ATOM 0 HG21 VAL A 52 -13.259 1.868 -2.186 1.00 1.00 H new ATOM 0 HG22 VAL A 52 -13.855 0.257 -2.653 1.00 1.00 H new ATOM 0 HG23 VAL A 52 -14.827 1.288 -1.575 1.00 1.00 H new ATOM 804 N LYS A 53 -12.172 -2.104 0.965 1.00 1.00 N ATOM 805 CA LYS A 53 -11.285 -3.243 1.195 1.00 1.00 C ATOM 806 C LYS A 53 -12.089 -4.526 1.362 1.00 1.00 C ATOM 807 O LYS A 53 -11.625 -5.614 1.023 1.00 1.00 O ATOM 808 CB LYS A 53 -10.451 -3.015 2.454 1.00 1.00 C ATOM 809 CG LYS A 53 -10.590 -1.563 2.918 1.00 1.00 C ATOM 810 CD LYS A 53 -9.574 -1.271 4.029 1.00 1.00 C ATOM 811 CE LYS A 53 -9.953 -2.023 5.314 1.00 1.00 C ATOM 812 NZ LYS A 53 -9.949 -1.071 6.460 1.00 1.00 N ATOM 0 H LYS A 53 -12.066 -1.342 1.634 1.00 1.00 H new ATOM 0 HA LYS A 53 -10.629 -3.339 0.330 1.00 1.00 H new ATOM 0 HB2 LYS A 53 -10.778 -3.691 3.244 1.00 1.00 H new ATOM 0 HB3 LYS A 53 -9.404 -3.243 2.253 1.00 1.00 H new ATOM 0 HG2 LYS A 53 -10.429 -0.887 2.079 1.00 1.00 H new ATOM 0 HG3 LYS A 53 -11.602 -1.384 3.282 1.00 1.00 H new ATOM 0 HD2 LYS A 53 -8.577 -1.570 3.706 1.00 1.00 H new ATOM 0 HD3 LYS A 53 -9.538 -0.199 4.225 1.00 1.00 H new ATOM 0 HE2 LYS A 53 -10.938 -2.477 5.207 1.00 1.00 H new ATOM 0 HE3 LYS A 53 -9.247 -2.833 5.497 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 -10.581 -1.424 7.207 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 -8.983 -0.984 6.836 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 -10.280 -0.139 6.138 1.00 1.00 H new ATOM 969 N LEU A 63 -3.733 -8.605 2.121 1.00 1.00 N ATOM 970 CA LEU A 63 -3.633 -7.663 1.011 1.00 1.00 C ATOM 971 C LEU A 63 -4.522 -6.446 1.250 1.00 1.00 C ATOM 972 O LEU A 63 -4.563 -5.525 0.434 1.00 1.00 O ATOM 973 CB LEU A 63 -4.047 -8.355 -0.292 1.00 1.00 C ATOM 974 CG LEU A 63 -2.873 -8.348 -1.275 1.00 1.00 C ATOM 975 CD1 LEU A 63 -3.263 -9.121 -2.537 1.00 1.00 C ATOM 976 CD2 LEU A 63 -2.515 -6.908 -1.655 1.00 1.00 C ATOM 0 HA LEU A 63 -2.599 -7.327 0.936 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -4.357 -9.380 -0.088 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -4.904 -7.844 -0.730 1.00 1.00 H new ATOM 0 HG LEU A 63 -2.011 -8.819 -0.804 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -2.429 -9.117 -3.238 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -3.510 -10.149 -2.272 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -4.129 -8.648 -3.001 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -1.679 -6.913 -2.354 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -3.376 -6.430 -2.122 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -2.235 -6.354 -0.759 1.00 1.00 H new ATOM 988 N VAL A 64 -5.229 -6.448 2.374 1.00 1.00 N ATOM 989 CA VAL A 64 -6.113 -5.338 2.711 1.00 1.00 C ATOM 990 C VAL A 64 -5.359 -4.275 3.505 1.00 1.00 C ATOM 991 O VAL A 64 -5.687 -3.091 3.441 1.00 1.00 O ATOM 992 CB VAL A 64 -7.302 -5.856 3.528 1.00 1.00 C ATOM 993 CG1 VAL A 64 -7.860 -4.737 4.412 1.00 1.00 C ATOM 994 CG2 VAL A 64 -8.398 -6.341 2.577 1.00 1.00 C ATOM 0 H VAL A 64 -5.208 -7.200 3.063 1.00 1.00 H new ATOM 0 HA VAL A 64 -6.477 -4.886 1.788 1.00 1.00 H new ATOM 0 HB VAL A 64 -6.968 -6.679 4.160 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -8.704 -5.115 4.988 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -7.083 -4.389 5.093 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -8.191 -3.909 3.785 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -9.245 -6.710 3.156 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -8.723 -5.515 1.945 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -8.008 -7.144 1.952 1.00 1.00 H new ATOM 1004 N GLU A 65 -4.343 -4.705 4.246 1.00 1.00 N ATOM 1005 CA GLU A 65 -3.551 -3.776 5.042 1.00 1.00 C ATOM 1006 C GLU A 65 -2.911 -2.707 4.154 1.00 1.00 C ATOM 1007 O GLU A 65 -3.221 -1.523 4.289 1.00 1.00 O ATOM 1008 CB GLU A 65 -2.469 -4.530 5.818 1.00 1.00 C ATOM 1009 CG GLU A 65 -2.913 -4.697 7.272 1.00 1.00 C ATOM 1010 CD GLU A 65 -2.803 -3.364 8.003 1.00 1.00 C ATOM 1011 OE1 GLU A 65 -1.839 -2.656 7.765 1.00 1.00 O ATOM 1012 OE2 GLU A 65 -3.688 -3.068 8.792 1.00 1.00 O ATOM 0 H GLU A 65 -4.051 -5.680 4.312 1.00 1.00 H new ATOM 0 HA GLU A 65 -4.216 -3.283 5.750 1.00 1.00 H new ATOM 0 HB2 GLU A 65 -2.294 -5.506 5.365 1.00 1.00 H new ATOM 0 HB3 GLU A 65 -1.527 -3.984 5.774 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -3.941 -5.058 7.309 1.00 1.00 H new ATOM 0 HG3 GLU A 65 -2.294 -5.446 7.767 1.00 1.00 H new ATOM 1019 N PRO A 66 -2.036 -3.085 3.251 1.00 1.00 N ATOM 1020 CA PRO A 66 -1.366 -2.111 2.337 1.00 1.00 C ATOM 1021 C PRO A 66 -2.370 -1.365 1.462 1.00 1.00 C ATOM 1022 O PRO A 66 -2.215 -0.172 1.202 1.00 1.00 O ATOM 1023 CB PRO A 66 -0.435 -2.977 1.478 1.00 1.00 C ATOM 1024 CG PRO A 66 -0.948 -4.372 1.610 1.00 1.00 C ATOM 1025 CD PRO A 66 -1.584 -4.464 2.993 1.00 1.00 C ATOM 0 HA PRO A 66 -0.835 -1.337 2.891 1.00 1.00 H new ATOM 0 HB2 PRO A 66 -0.447 -2.652 0.438 1.00 1.00 H new ATOM 0 HB3 PRO A 66 0.596 -2.905 1.823 1.00 1.00 H new ATOM 0 HG2 PRO A 66 -1.677 -4.594 0.831 1.00 1.00 H new ATOM 0 HG3 PRO A 66 -0.139 -5.095 1.505 1.00 1.00 H new ATOM 0 HD2 PRO A 66 -2.415 -5.169 3.007 1.00 1.00 H new ATOM 0 HD3 PRO A 66 -0.868 -4.800 3.743 1.00 1.00 H new ATOM 1033 N LEU A 67 -3.399 -2.077 1.013 1.00 1.00 N ATOM 1034 CA LEU A 67 -4.423 -1.476 0.165 1.00 1.00 C ATOM 1035 C LEU A 67 -5.042 -0.259 0.846 1.00 1.00 C ATOM 1036 O LEU A 67 -5.201 0.794 0.228 1.00 1.00 O ATOM 1037 CB LEU A 67 -5.514 -2.506 -0.138 1.00 1.00 C ATOM 1038 CG LEU A 67 -6.459 -1.956 -1.207 1.00 1.00 C ATOM 1039 CD1 LEU A 67 -6.312 -2.777 -2.489 1.00 1.00 C ATOM 1040 CD2 LEU A 67 -7.904 -2.048 -0.710 1.00 1.00 C ATOM 0 H LEU A 67 -3.546 -3.065 1.220 1.00 1.00 H new ATOM 0 HA LEU A 67 -3.956 -1.154 -0.766 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -5.063 -3.437 -0.481 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -6.071 -2.737 0.770 1.00 1.00 H new ATOM 0 HG LEU A 67 -6.209 -0.915 -1.409 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -6.986 -2.385 -3.251 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -5.284 -2.714 -2.846 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -6.562 -3.818 -2.285 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -8.577 -1.656 -1.473 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -8.153 -3.090 -0.507 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -8.012 -1.464 0.204 1.00 1.00 H new ATOM 1052 N CYS A 68 -5.391 -0.412 2.119 1.00 1.00 N ATOM 1053 CA CYS A 68 -5.992 0.685 2.870 1.00 1.00 C ATOM 1054 C CYS A 68 -5.013 1.846 3.003 1.00 1.00 C ATOM 1055 O CYS A 68 -5.417 2.994 3.182 1.00 1.00 O ATOM 1056 CB CYS A 68 -6.399 0.198 4.263 1.00 1.00 C ATOM 1057 SG CYS A 68 -5.193 0.779 5.481 1.00 1.00 S ATOM 0 H CYS A 68 -5.270 -1.275 2.648 1.00 1.00 H new ATOM 0 HA CYS A 68 -6.874 1.030 2.330 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -7.393 0.569 4.514 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -6.452 -0.891 4.278 1.00 1.00 H new ATOM 0 HG CYS A 68 -4.120 0.049 5.411 1.00 1.00 H new ATOM 1063 N ARG A 69 -3.723 1.538 2.917 1.00 1.00 N ATOM 1064 CA ARG A 69 -2.694 2.565 3.031 1.00 1.00 C ATOM 1065 C ARG A 69 -2.681 3.452 1.791 1.00 1.00 C ATOM 1066 O ARG A 69 -2.611 4.677 1.893 1.00 1.00 O ATOM 1067 CB ARG A 69 -1.321 1.911 3.206 1.00 1.00 C ATOM 1068 CG ARG A 69 -0.698 2.371 4.525 1.00 1.00 C ATOM 1069 CD ARG A 69 -1.543 1.863 5.693 1.00 1.00 C ATOM 1070 NE ARG A 69 -0.740 1.012 6.563 1.00 1.00 N ATOM 1071 CZ ARG A 69 -1.308 0.126 7.375 1.00 1.00 C ATOM 1072 NH1 ARG A 69 -2.607 0.009 7.406 1.00 1.00 N ATOM 1073 NH2 ARG A 69 -0.568 -0.625 8.142 1.00 1.00 N ATOM 0 H ARG A 69 -3.367 0.593 2.770 1.00 1.00 H new ATOM 0 HA ARG A 69 -2.918 3.181 3.902 1.00 1.00 H new ATOM 0 HB2 ARG A 69 -1.420 0.826 3.198 1.00 1.00 H new ATOM 0 HB3 ARG A 69 -0.671 2.178 2.373 1.00 1.00 H new ATOM 0 HG2 ARG A 69 0.321 1.994 4.609 1.00 1.00 H new ATOM 0 HG3 ARG A 69 -0.639 3.459 4.551 1.00 1.00 H new ATOM 0 HD2 ARG A 69 -1.937 2.706 6.260 1.00 1.00 H new ATOM 0 HD3 ARG A 69 -2.400 1.304 5.316 1.00 1.00 H new ATOM 0 HE ARG A 69 0.276 1.098 6.548 1.00 1.00 H new ATOM 0 HH11 ARG A 69 -3.186 0.597 6.807 1.00 1.00 H new ATOM 0 HH12 ARG A 69 -3.043 -0.671 8.029 1.00 1.00 H new ATOM 0 HH21 ARG A 69 0.448 -0.533 8.119 1.00 1.00 H new ATOM 0 HH22 ARG A 69 -1.005 -1.305 8.765 1.00 1.00 H new ATOM 1087 N ARG A 70 -2.745 2.826 0.622 1.00 1.00 N ATOM 1088 CA ARG A 70 -2.736 3.572 -0.632 1.00 1.00 C ATOM 1089 C ARG A 70 -3.985 4.440 -0.751 1.00 1.00 C ATOM 1090 O ARG A 70 -3.898 5.667 -0.754 1.00 1.00 O ATOM 1091 CB ARG A 70 -2.665 2.608 -1.823 1.00 1.00 C ATOM 1092 CG ARG A 70 -1.564 1.561 -1.603 1.00 1.00 C ATOM 1093 CD ARG A 70 -0.295 2.218 -1.051 1.00 1.00 C ATOM 1094 NE ARG A 70 0.836 1.305 -1.177 1.00 1.00 N ATOM 1095 CZ ARG A 70 1.079 0.379 -0.255 1.00 1.00 C ATOM 1096 NH1 ARG A 70 0.309 0.283 0.793 1.00 1.00 N ATOM 1097 NH2 ARG A 70 2.090 -0.434 -0.399 1.00 1.00 N ATOM 0 H ARG A 70 -2.803 1.813 0.515 1.00 1.00 H new ATOM 0 HA ARG A 70 -1.857 4.216 -0.638 1.00 1.00 H new ATOM 0 HB2 ARG A 70 -3.626 2.111 -1.954 1.00 1.00 H new ATOM 0 HB3 ARG A 70 -2.467 3.166 -2.738 1.00 1.00 H new ATOM 0 HG2 ARG A 70 -1.915 0.797 -0.909 1.00 1.00 H new ATOM 0 HG3 ARG A 70 -1.340 1.059 -2.544 1.00 1.00 H new ATOM 0 HD2 ARG A 70 -0.089 3.142 -1.592 1.00 1.00 H new ATOM 0 HD3 ARG A 70 -0.441 2.487 -0.005 1.00 1.00 H new ATOM 0 HE ARG A 70 1.451 1.379 -1.987 1.00 1.00 H new ATOM 0 HH11 ARG A 70 -0.481 0.919 0.906 1.00 1.00 H new ATOM 0 HH12 ARG A 70 0.496 -0.428 1.500 1.00 1.00 H new ATOM 0 HH21 ARG A 70 2.693 -0.358 -1.218 1.00 1.00 H new ATOM 0 HH22 ARG A 70 2.277 -1.145 0.308 1.00 1.00 H new ATOM 1111 N LEU A 71 -5.145 3.802 -0.850 1.00 1.00 N ATOM 1112 CA LEU A 71 -6.393 4.546 -0.971 1.00 1.00 C ATOM 1113 C LEU A 71 -6.410 5.703 0.019 1.00 1.00 C ATOM 1114 O LEU A 71 -6.732 6.835 -0.340 1.00 1.00 O ATOM 1115 CB LEU A 71 -7.587 3.623 -0.714 1.00 1.00 C ATOM 1116 CG LEU A 71 -7.578 2.469 -1.724 1.00 1.00 C ATOM 1117 CD1 LEU A 71 -8.334 1.278 -1.134 1.00 1.00 C ATOM 1118 CD2 LEU A 71 -8.257 2.900 -3.030 1.00 1.00 C ATOM 0 H LEU A 71 -5.248 2.787 -0.849 1.00 1.00 H new ATOM 0 HA LEU A 71 -6.466 4.943 -1.983 1.00 1.00 H new ATOM 0 HB2 LEU A 71 -7.543 3.230 0.302 1.00 1.00 H new ATOM 0 HB3 LEU A 71 -8.517 4.185 -0.798 1.00 1.00 H new ATOM 0 HG LEU A 71 -6.546 2.190 -1.935 1.00 1.00 H new ATOM 0 HD11 LEU A 71 -8.330 0.455 -1.848 1.00 1.00 H new ATOM 0 HD12 LEU A 71 -7.849 0.960 -0.211 1.00 1.00 H new ATOM 0 HD13 LEU A 71 -9.363 1.569 -0.921 1.00 1.00 H new ATOM 0 HD21 LEU A 71 -8.243 2.071 -3.738 1.00 1.00 H new ATOM 0 HD22 LEU A 71 -9.289 3.186 -2.826 1.00 1.00 H new ATOM 0 HD23 LEU A 71 -7.722 3.749 -3.455 1.00 1.00 H new ATOM 1130 N ASN A 72 -6.056 5.416 1.266 1.00 1.00 N ATOM 1131 CA ASN A 72 -6.029 6.444 2.297 1.00 1.00 C ATOM 1132 C ASN A 72 -5.140 7.607 1.866 1.00 1.00 C ATOM 1133 O ASN A 72 -5.404 8.760 2.204 1.00 1.00 O ATOM 1134 CB ASN A 72 -5.503 5.857 3.610 1.00 1.00 C ATOM 1135 CG ASN A 72 -5.267 6.973 4.620 1.00 1.00 C ATOM 1136 OD1 ASN A 72 -4.140 7.169 5.079 1.00 1.00 O ATOM 1137 ND2 ASN A 72 -6.265 7.724 4.996 1.00 1.00 N ATOM 0 H ASN A 72 -5.785 4.486 1.586 1.00 1.00 H new ATOM 0 HA ASN A 72 -7.045 6.810 2.446 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -6.219 5.139 4.010 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.574 5.315 3.430 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -6.113 8.474 5.670 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -7.197 7.561 4.616 1.00 1.00 H new ATOM 1144 N THR A 73 -4.088 7.294 1.116 1.00 1.00 N ATOM 1145 CA THR A 73 -3.171 8.324 0.642 1.00 1.00 C ATOM 1146 C THR A 73 -3.843 9.189 -0.418 1.00 1.00 C ATOM 1147 O THR A 73 -4.034 10.388 -0.225 1.00 1.00 O ATOM 1148 CB THR A 73 -1.913 7.679 0.055 1.00 1.00 C ATOM 1149 OG1 THR A 73 -1.438 6.676 0.942 1.00 1.00 O ATOM 1150 CG2 THR A 73 -0.834 8.744 -0.141 1.00 1.00 C ATOM 0 H THR A 73 -3.851 6.345 0.826 1.00 1.00 H new ATOM 0 HA THR A 73 -2.893 8.953 1.488 1.00 1.00 H new ATOM 0 HB THR A 73 -2.152 7.228 -0.908 1.00 1.00 H new ATOM 0 HG1 THR A 73 -1.982 5.867 0.843 1.00 1.00 H new ATOM 0 HG21 THR A 73 0.061 8.283 -0.559 1.00 1.00 H new ATOM 0 HG22 THR A 73 -1.200 9.511 -0.824 1.00 1.00 H new ATOM 0 HG23 THR A 73 -0.593 9.199 0.820 1.00 1.00 H new ATOM 1158 N LEU A 74 -4.201 8.568 -1.537 1.00 1.00 N ATOM 1159 CA LEU A 74 -4.854 9.291 -2.622 1.00 1.00 C ATOM 1160 C LEU A 74 -6.086 10.023 -2.108 1.00 1.00 C ATOM 1161 O LEU A 74 -6.239 11.223 -2.326 1.00 1.00 O ATOM 1162 CB LEU A 74 -5.262 8.316 -3.729 1.00 1.00 C ATOM 1163 CG LEU A 74 -4.268 8.407 -4.885 1.00 1.00 C ATOM 1164 CD1 LEU A 74 -2.847 8.213 -4.360 1.00 1.00 C ATOM 1165 CD2 LEU A 74 -4.580 7.320 -5.913 1.00 1.00 C ATOM 0 H LEU A 74 -4.052 7.575 -1.716 1.00 1.00 H new ATOM 0 HA LEU A 74 -4.151 10.021 -3.023 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -5.289 7.298 -3.339 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -6.267 8.550 -4.081 1.00 1.00 H new ATOM 0 HG LEU A 74 -4.350 9.388 -5.353 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -2.141 8.279 -5.188 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -2.621 8.988 -3.628 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -2.764 7.234 -3.889 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -3.871 7.385 -6.738 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -4.500 6.340 -5.442 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -5.592 7.458 -6.293 1.00 1.00 H new ATOM 1177 N ASN A 75 -6.960 9.294 -1.424 1.00 1.00 N ATOM 1178 CA ASN A 75 -8.173 9.892 -0.883 1.00 1.00 C ATOM 1179 C ASN A 75 -7.869 11.258 -0.276 1.00 1.00 C ATOM 1180 O ASN A 75 -8.742 12.122 -0.193 1.00 1.00 O ATOM 1181 CB ASN A 75 -8.770 8.975 0.187 1.00 1.00 C ATOM 1182 CG ASN A 75 -9.217 7.664 -0.443 1.00 1.00 C ATOM 1183 OD1 ASN A 75 -8.798 7.331 -1.553 1.00 1.00 O ATOM 1184 ND2 ASN A 75 -10.041 6.888 0.204 1.00 1.00 N ATOM 0 H ASN A 75 -6.853 8.298 -1.233 1.00 1.00 H new ATOM 0 HA ASN A 75 -8.890 10.020 -1.694 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -8.032 8.781 0.965 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -9.617 9.465 0.667 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -10.339 6.004 -0.209 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -10.387 7.165 1.123 1.00 1.00 H new ATOM 1191 N LYS A 76 -6.623 11.441 0.150 1.00 1.00 N ATOM 1192 CA LYS A 76 -6.207 12.702 0.754 1.00 1.00 C ATOM 1193 C LYS A 76 -5.602 13.636 -0.291 1.00 1.00 C ATOM 1194 O LYS A 76 -5.810 14.848 -0.249 1.00 1.00 O ATOM 1195 CB LYS A 76 -5.172 12.430 1.850 1.00 1.00 C ATOM 1196 CG LYS A 76 -5.738 12.845 3.209 1.00 1.00 C ATOM 1197 CD LYS A 76 -6.947 11.971 3.553 1.00 1.00 C ATOM 1198 CE LYS A 76 -6.649 11.160 4.815 1.00 1.00 C ATOM 1199 NZ LYS A 76 -7.759 10.195 5.058 1.00 1.00 N ATOM 0 H LYS A 76 -5.888 10.737 0.089 1.00 1.00 H new ATOM 0 HA LYS A 76 -7.086 13.183 1.182 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -4.911 11.372 1.862 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -4.255 12.982 1.643 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -4.973 12.744 3.979 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -6.031 13.895 3.187 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -7.827 12.595 3.708 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -7.173 11.302 2.723 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -5.706 10.625 4.703 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -6.538 11.826 5.671 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -7.582 9.679 5.943 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -8.658 10.712 5.132 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -7.812 9.520 4.268 1.00 1.00 H new ATOM 1213 N CYS A 77 -4.843 13.065 -1.220 1.00 1.00 N ATOM 1214 CA CYS A 77 -4.198 13.857 -2.263 1.00 1.00 C ATOM 1215 C CYS A 77 -5.156 14.122 -3.422 1.00 1.00 C ATOM 1216 O CYS A 77 -4.871 14.934 -4.302 1.00 1.00 O ATOM 1217 CB CYS A 77 -2.961 13.123 -2.778 1.00 1.00 C ATOM 1218 SG CYS A 77 -1.971 14.246 -3.796 1.00 1.00 S ATOM 0 H CYS A 77 -4.659 12.063 -1.273 1.00 1.00 H new ATOM 0 HA CYS A 77 -3.905 14.815 -1.833 1.00 1.00 H new ATOM 0 HB2 CYS A 77 -2.368 12.756 -1.940 1.00 1.00 H new ATOM 0 HB3 CYS A 77 -3.259 12.253 -3.363 1.00 1.00 H new ATOM 0 HG CYS A 77 -2.759 15.049 -4.448 1.00 1.00 H new ATOM 1224 N ALA A 78 -6.293 13.434 -3.417 1.00 1.00 N ATOM 1225 CA ALA A 78 -7.283 13.607 -4.472 1.00 1.00 C ATOM 1226 C ALA A 78 -8.083 14.887 -4.254 1.00 1.00 C ATOM 1227 O ALA A 78 -8.951 15.233 -5.055 1.00 1.00 O ATOM 1228 CB ALA A 78 -8.233 12.407 -4.497 1.00 1.00 C ATOM 0 H ALA A 78 -6.550 12.756 -2.699 1.00 1.00 H new ATOM 0 HA ALA A 78 -6.761 13.678 -5.426 1.00 1.00 H new ATOM 0 HB1 ALA A 78 -8.970 12.543 -5.288 1.00 1.00 H new ATOM 0 HB2 ALA A 78 -7.664 11.496 -4.684 1.00 1.00 H new ATOM 0 HB3 ALA A 78 -8.742 12.326 -3.537 1.00 1.00 H new