USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=11 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= -7.21! C(o=-14!,f=-15!) USER MOD Set 1.2: A 76 LYS NZ :NH3+ -142:sc= -7.02! (180deg=-1.52!) USER MOD Single : A 22 LYS NZ :NH3+ 171:sc= -1.24 (180deg=-1.43) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.454 USER MOD Single : A 35 GLN : amide:sc= -9.77! C(o=-9.8!,f=-22!) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.13 USER MOD Single : A 38 GLN :FLIP amide:sc= -0.263 F(o=-0.83,f=-0.26) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 91:sc= -0.761! USER MOD Single : A 44 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.056) USER MOD Single : A 48 ASN : amide:sc= -6.24! C(o=-6.2!,f=-11!) USER MOD Single : A 53 LYS NZ :NH3+ 129:sc= -0.301 (180deg=-1.47) USER MOD Single : A 68 CYS SG : rot -58:sc= 0.173 USER MOD Single : A 73 THR OG1 : rot 99:sc= 0.887 USER MOD Single : A 75 ASN : amide:sc= -5.8! C(o=-5.8!,f=-11!) USER MOD Single : A 77 CYS SG : rot 28:sc= 0.582 USER MOD ----------------------------------------------------------------- ATOM 293 N GLU A 20 3.856 8.327 -2.007 1.00 1.00 N ATOM 294 CA GLU A 20 2.851 7.344 -1.636 1.00 1.00 C ATOM 295 C GLU A 20 1.714 7.353 -2.651 1.00 1.00 C ATOM 296 O GLU A 20 1.186 6.305 -3.008 1.00 1.00 O ATOM 297 CB GLU A 20 2.301 7.647 -0.243 1.00 1.00 C ATOM 298 CG GLU A 20 3.360 7.309 0.809 1.00 1.00 C ATOM 299 CD GLU A 20 3.462 5.797 0.976 1.00 1.00 C ATOM 300 OE1 GLU A 20 4.236 5.192 0.252 1.00 1.00 O ATOM 301 OE2 GLU A 20 2.763 5.266 1.823 1.00 1.00 O ATOM 0 HA GLU A 20 3.316 6.358 -1.625 1.00 1.00 H new ATOM 0 HB2 GLU A 20 2.024 8.699 -0.171 1.00 1.00 H new ATOM 0 HB3 GLU A 20 1.396 7.066 -0.063 1.00 1.00 H new ATOM 0 HG2 GLU A 20 4.326 7.716 0.509 1.00 1.00 H new ATOM 0 HG3 GLU A 20 3.100 7.772 1.761 1.00 1.00 H new ATOM 308 N ALA A 21 1.343 8.547 -3.105 1.00 1.00 N ATOM 309 CA ALA A 21 0.264 8.687 -4.077 1.00 1.00 C ATOM 310 C ALA A 21 0.624 7.992 -5.389 1.00 1.00 C ATOM 311 O ALA A 21 -0.059 7.066 -5.820 1.00 1.00 O ATOM 312 CB ALA A 21 -0.016 10.165 -4.344 1.00 1.00 C ATOM 0 H ALA A 21 1.771 9.427 -2.817 1.00 1.00 H new ATOM 0 HA ALA A 21 -0.628 8.218 -3.663 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -0.823 10.257 -5.071 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -0.308 10.654 -3.414 1.00 1.00 H new ATOM 0 HB3 ALA A 21 0.883 10.640 -4.737 1.00 1.00 H new ATOM 318 N LYS A 22 1.698 8.449 -6.027 1.00 1.00 N ATOM 319 CA LYS A 22 2.124 7.859 -7.291 1.00 1.00 C ATOM 320 C LYS A 22 2.297 6.352 -7.143 1.00 1.00 C ATOM 321 O LYS A 22 1.931 5.586 -8.035 1.00 1.00 O ATOM 322 CB LYS A 22 3.441 8.488 -7.750 1.00 1.00 C ATOM 323 CG LYS A 22 3.365 8.800 -9.248 1.00 1.00 C ATOM 324 CD LYS A 22 2.480 10.029 -9.475 1.00 1.00 C ATOM 325 CE LYS A 22 1.503 9.750 -10.618 1.00 1.00 C ATOM 326 NZ LYS A 22 0.519 8.715 -10.191 1.00 1.00 N ATOM 0 H LYS A 22 2.282 9.216 -5.694 1.00 1.00 H new ATOM 0 HA LYS A 22 1.355 8.054 -8.039 1.00 1.00 H new ATOM 0 HB2 LYS A 22 3.636 9.401 -7.187 1.00 1.00 H new ATOM 0 HB3 LYS A 22 4.270 7.808 -7.551 1.00 1.00 H new ATOM 0 HG2 LYS A 22 4.365 8.982 -9.643 1.00 1.00 H new ATOM 0 HG3 LYS A 22 2.960 7.944 -9.788 1.00 1.00 H new ATOM 0 HD2 LYS A 22 1.932 10.269 -8.564 1.00 1.00 H new ATOM 0 HD3 LYS A 22 3.097 10.896 -9.713 1.00 1.00 H new ATOM 0 HE2 LYS A 22 0.984 10.667 -10.898 1.00 1.00 H new ATOM 0 HE3 LYS A 22 2.046 9.409 -11.499 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -0.233 8.635 -10.905 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 1.000 7.799 -10.091 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 0.102 8.988 -9.278 1.00 1.00 H new ATOM 340 N GLU A 23 2.846 5.931 -6.010 1.00 1.00 N ATOM 341 CA GLU A 23 3.047 4.514 -5.761 1.00 1.00 C ATOM 342 C GLU A 23 1.702 3.843 -5.551 1.00 1.00 C ATOM 343 O GLU A 23 1.391 2.838 -6.176 1.00 1.00 O ATOM 344 CB GLU A 23 3.925 4.313 -4.524 1.00 1.00 C ATOM 345 CG GLU A 23 5.384 4.602 -4.880 1.00 1.00 C ATOM 346 CD GLU A 23 6.088 3.311 -5.285 1.00 1.00 C ATOM 347 OE1 GLU A 23 5.979 2.939 -6.442 1.00 1.00 O ATOM 348 OE2 GLU A 23 6.727 2.715 -4.434 1.00 1.00 O ATOM 0 H GLU A 23 3.156 6.546 -5.258 1.00 1.00 H new ATOM 0 HA GLU A 23 3.547 4.068 -6.621 1.00 1.00 H new ATOM 0 HB2 GLU A 23 3.598 4.974 -3.722 1.00 1.00 H new ATOM 0 HB3 GLU A 23 3.825 3.292 -4.156 1.00 1.00 H new ATOM 0 HG2 GLU A 23 5.432 5.323 -5.696 1.00 1.00 H new ATOM 0 HG3 GLU A 23 5.893 5.051 -4.027 1.00 1.00 H new ATOM 355 N ALA A 24 0.911 4.416 -4.656 1.00 1.00 N ATOM 356 CA ALA A 24 -0.409 3.885 -4.350 1.00 1.00 C ATOM 357 C ALA A 24 -1.131 3.425 -5.613 1.00 1.00 C ATOM 358 O ALA A 24 -1.648 2.309 -5.669 1.00 1.00 O ATOM 359 CB ALA A 24 -1.242 4.960 -3.652 1.00 1.00 C ATOM 0 H ALA A 24 1.161 5.252 -4.127 1.00 1.00 H new ATOM 0 HA ALA A 24 -0.284 3.022 -3.696 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -2.231 4.562 -3.423 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -0.748 5.260 -2.728 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -1.342 5.825 -4.307 1.00 1.00 H new ATOM 365 N CYS A 25 -1.176 4.292 -6.619 1.00 1.00 N ATOM 366 CA CYS A 25 -1.853 3.956 -7.867 1.00 1.00 C ATOM 367 C CYS A 25 -1.037 2.963 -8.690 1.00 1.00 C ATOM 368 O CYS A 25 -1.597 2.095 -9.357 1.00 1.00 O ATOM 369 CB CYS A 25 -2.088 5.226 -8.689 1.00 1.00 C ATOM 370 SG CYS A 25 -1.441 4.990 -10.362 1.00 1.00 S ATOM 0 H CYS A 25 -0.757 5.222 -6.597 1.00 1.00 H new ATOM 0 HA CYS A 25 -2.808 3.494 -7.618 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -3.153 5.455 -8.728 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -1.597 6.075 -8.214 1.00 1.00 H new ATOM 0 HG CYS A 25 -1.642 6.067 -11.061 1.00 1.00 H new ATOM 376 N ASP A 26 0.284 3.095 -8.639 1.00 1.00 N ATOM 377 CA ASP A 26 1.157 2.196 -9.388 1.00 1.00 C ATOM 378 C ASP A 26 1.316 0.865 -8.659 1.00 1.00 C ATOM 379 O ASP A 26 1.784 -0.120 -9.232 1.00 1.00 O ATOM 380 CB ASP A 26 2.531 2.843 -9.575 1.00 1.00 C ATOM 381 CG ASP A 26 3.228 2.244 -10.792 1.00 1.00 C ATOM 382 OD1 ASP A 26 2.993 2.733 -11.885 1.00 1.00 O ATOM 383 OD2 ASP A 26 3.990 1.308 -10.614 1.00 1.00 O ATOM 0 H ASP A 26 0.770 3.807 -8.094 1.00 1.00 H new ATOM 0 HA ASP A 26 0.704 2.010 -10.362 1.00 1.00 H new ATOM 0 HB2 ASP A 26 2.421 3.920 -9.702 1.00 1.00 H new ATOM 0 HB3 ASP A 26 3.140 2.688 -8.684 1.00 1.00 H new ATOM 388 N TRP A 27 0.925 0.847 -7.391 1.00 1.00 N ATOM 389 CA TRP A 27 1.026 -0.359 -6.577 1.00 1.00 C ATOM 390 C TRP A 27 -0.284 -1.137 -6.616 1.00 1.00 C ATOM 391 O TRP A 27 -0.287 -2.360 -6.758 1.00 1.00 O ATOM 392 CB TRP A 27 1.362 0.023 -5.134 1.00 1.00 C ATOM 393 CG TRP A 27 1.390 -1.202 -4.279 1.00 1.00 C ATOM 394 CD1 TRP A 27 2.483 -1.961 -4.042 1.00 1.00 C ATOM 395 CD2 TRP A 27 0.295 -1.819 -3.540 1.00 1.00 C ATOM 396 NE1 TRP A 27 2.130 -3.005 -3.205 1.00 1.00 N ATOM 397 CE2 TRP A 27 0.792 -2.960 -2.869 1.00 1.00 C ATOM 398 CE3 TRP A 27 -1.067 -1.502 -3.391 1.00 1.00 C ATOM 399 CZ2 TRP A 27 -0.033 -3.760 -2.075 1.00 1.00 C ATOM 400 CZ3 TRP A 27 -1.901 -2.304 -2.594 1.00 1.00 C ATOM 401 CH2 TRP A 27 -1.384 -3.430 -1.937 1.00 1.00 C ATOM 0 H TRP A 27 0.535 1.654 -6.903 1.00 1.00 H new ATOM 0 HA TRP A 27 1.818 -0.991 -6.978 1.00 1.00 H new ATOM 0 HB2 TRP A 27 2.329 0.526 -5.097 1.00 1.00 H new ATOM 0 HB3 TRP A 27 0.622 0.727 -4.753 1.00 1.00 H new ATOM 0 HD1 TRP A 27 3.471 -1.782 -4.441 1.00 1.00 H new ATOM 0 HE1 TRP A 27 2.779 -3.720 -2.877 1.00 1.00 H new ATOM 0 HE3 TRP A 27 -1.474 -0.637 -3.892 1.00 1.00 H new ATOM 0 HZ2 TRP A 27 0.370 -4.627 -1.572 1.00 1.00 H new ATOM 0 HZ3 TRP A 27 -2.946 -2.052 -2.487 1.00 1.00 H new ATOM 0 HH2 TRP A 27 -2.030 -4.042 -1.325 1.00 1.00 H new ATOM 412 N LEU A 28 -1.396 -0.421 -6.491 1.00 1.00 N ATOM 413 CA LEU A 28 -2.708 -1.055 -6.515 1.00 1.00 C ATOM 414 C LEU A 28 -2.796 -2.039 -7.676 1.00 1.00 C ATOM 415 O LEU A 28 -3.615 -2.958 -7.665 1.00 1.00 O ATOM 416 CB LEU A 28 -3.801 0.008 -6.659 1.00 1.00 C ATOM 417 CG LEU A 28 -4.119 0.611 -5.287 1.00 1.00 C ATOM 418 CD1 LEU A 28 -4.729 2.001 -5.472 1.00 1.00 C ATOM 419 CD2 LEU A 28 -5.117 -0.285 -4.542 1.00 1.00 C ATOM 0 H LEU A 28 -1.415 0.592 -6.373 1.00 1.00 H new ATOM 0 HA LEU A 28 -2.852 -1.595 -5.579 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -3.473 0.790 -7.344 1.00 1.00 H new ATOM 0 HB3 LEU A 28 -4.699 -0.436 -7.089 1.00 1.00 H new ATOM 0 HG LEU A 28 -3.199 0.686 -4.707 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -4.956 2.432 -4.497 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -4.020 2.643 -5.996 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -5.646 1.921 -6.056 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -5.339 0.149 -3.567 1.00 1.00 H new ATOM 0 HD22 LEU A 28 -6.037 -0.365 -5.121 1.00 1.00 H new ATOM 0 HD23 LEU A 28 -4.685 -1.277 -4.407 1.00 1.00 H new ATOM 431 N ARG A 29 -1.941 -1.841 -8.676 1.00 1.00 N ATOM 432 CA ARG A 29 -1.924 -2.720 -9.839 1.00 1.00 C ATOM 433 C ARG A 29 -1.012 -3.915 -9.586 1.00 1.00 C ATOM 434 O ARG A 29 -1.226 -5.000 -10.124 1.00 1.00 O ATOM 435 CB ARG A 29 -1.438 -1.961 -11.079 1.00 1.00 C ATOM 436 CG ARG A 29 -1.706 -0.462 -10.908 1.00 1.00 C ATOM 437 CD ARG A 29 -1.329 0.285 -12.191 1.00 1.00 C ATOM 438 NE ARG A 29 -2.384 1.224 -12.556 1.00 1.00 N ATOM 439 CZ ARG A 29 -3.525 0.803 -13.089 1.00 1.00 C ATOM 440 NH1 ARG A 29 -3.722 -0.472 -13.288 1.00 1.00 N ATOM 441 NH2 ARG A 29 -4.451 1.663 -13.414 1.00 1.00 N ATOM 0 H ARG A 29 -1.256 -1.085 -8.704 1.00 1.00 H new ATOM 0 HA ARG A 29 -2.940 -3.073 -10.013 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -0.372 -2.135 -11.228 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -1.949 -2.332 -11.967 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -2.758 -0.296 -10.676 1.00 1.00 H new ATOM 0 HG3 ARG A 29 -1.129 -0.074 -10.068 1.00 1.00 H new ATOM 0 HD2 ARG A 29 -0.390 0.820 -12.047 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -1.169 -0.427 -13.001 1.00 1.00 H new ATOM 0 HE ARG A 29 -2.243 2.222 -12.399 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -2.999 -1.145 -13.034 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -4.599 -0.795 -13.697 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -4.299 2.660 -13.259 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -5.327 1.339 -13.823 1.00 1.00 H new ATOM 455 N ALA A 30 0.003 -3.706 -8.754 1.00 1.00 N ATOM 456 CA ALA A 30 0.940 -4.773 -8.425 1.00 1.00 C ATOM 457 C ALA A 30 0.340 -5.686 -7.362 1.00 1.00 C ATOM 458 O ALA A 30 0.870 -6.760 -7.078 1.00 1.00 O ATOM 459 CB ALA A 30 2.252 -4.178 -7.911 1.00 1.00 C ATOM 0 H ALA A 30 0.197 -2.814 -8.298 1.00 1.00 H new ATOM 0 HA ALA A 30 1.139 -5.355 -9.325 1.00 1.00 H new ATOM 0 HB1 ALA A 30 2.946 -4.983 -7.668 1.00 1.00 H new ATOM 0 HB2 ALA A 30 2.689 -3.542 -8.681 1.00 1.00 H new ATOM 0 HB3 ALA A 30 2.057 -3.585 -7.018 1.00 1.00 H new ATOM 465 N ALA A 31 -0.771 -5.247 -6.782 1.00 1.00 N ATOM 466 CA ALA A 31 -1.447 -6.026 -5.752 1.00 1.00 C ATOM 467 C ALA A 31 -2.523 -6.909 -6.373 1.00 1.00 C ATOM 468 O ALA A 31 -2.916 -7.925 -5.798 1.00 1.00 O ATOM 469 CB ALA A 31 -2.082 -5.086 -4.726 1.00 1.00 C ATOM 0 H ALA A 31 -1.221 -4.360 -7.006 1.00 1.00 H new ATOM 0 HA ALA A 31 -0.713 -6.662 -5.257 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -2.586 -5.673 -3.958 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -1.307 -4.474 -4.265 1.00 1.00 H new ATOM 0 HB3 ALA A 31 -2.806 -4.440 -5.223 1.00 1.00 H new ATOM 475 N GLY A 32 -2.996 -6.513 -7.552 1.00 1.00 N ATOM 476 CA GLY A 32 -4.028 -7.272 -8.250 1.00 1.00 C ATOM 477 C GLY A 32 -5.355 -6.522 -8.238 1.00 1.00 C ATOM 478 O GLY A 32 -6.388 -7.067 -8.627 1.00 1.00 O ATOM 0 H GLY A 32 -2.682 -5.675 -8.042 1.00 1.00 H new ATOM 0 HA2 GLY A 32 -3.718 -7.455 -9.279 1.00 1.00 H new ATOM 0 HA3 GLY A 32 -4.152 -8.246 -7.777 1.00 1.00 H new ATOM 482 N PHE A 33 -5.316 -5.268 -7.790 1.00 1.00 N ATOM 483 CA PHE A 33 -6.520 -4.443 -7.727 1.00 1.00 C ATOM 484 C PHE A 33 -6.294 -3.102 -8.432 1.00 1.00 C ATOM 485 O PHE A 33 -6.258 -2.052 -7.792 1.00 1.00 O ATOM 486 CB PHE A 33 -6.897 -4.198 -6.263 1.00 1.00 C ATOM 487 CG PHE A 33 -6.585 -5.430 -5.446 1.00 1.00 C ATOM 488 CD1 PHE A 33 -7.093 -6.675 -5.837 1.00 1.00 C ATOM 489 CD2 PHE A 33 -5.789 -5.325 -4.299 1.00 1.00 C ATOM 490 CE1 PHE A 33 -6.803 -7.816 -5.080 1.00 1.00 C ATOM 491 CE2 PHE A 33 -5.500 -6.468 -3.543 1.00 1.00 C ATOM 492 CZ PHE A 33 -6.007 -7.713 -3.934 1.00 1.00 C ATOM 0 H PHE A 33 -4.467 -4.803 -7.467 1.00 1.00 H new ATOM 0 HA PHE A 33 -7.330 -4.969 -8.232 1.00 1.00 H new ATOM 0 HB2 PHE A 33 -6.346 -3.342 -5.874 1.00 1.00 H new ATOM 0 HB3 PHE A 33 -7.957 -3.957 -6.185 1.00 1.00 H new ATOM 0 HD1 PHE A 33 -7.708 -6.755 -6.721 1.00 1.00 H new ATOM 0 HD2 PHE A 33 -5.398 -4.364 -3.998 1.00 1.00 H new ATOM 0 HE1 PHE A 33 -7.194 -8.777 -5.381 1.00 1.00 H new ATOM 0 HE2 PHE A 33 -4.886 -6.389 -2.658 1.00 1.00 H new ATOM 0 HZ PHE A 33 -5.784 -8.594 -3.351 1.00 1.00 H new ATOM 502 N PRO A 34 -6.136 -3.119 -9.731 1.00 1.00 N ATOM 503 CA PRO A 34 -5.903 -1.879 -10.526 1.00 1.00 C ATOM 504 C PRO A 34 -7.177 -1.060 -10.724 1.00 1.00 C ATOM 505 O PRO A 34 -7.122 0.081 -11.182 1.00 1.00 O ATOM 506 CB PRO A 34 -5.382 -2.404 -11.863 1.00 1.00 C ATOM 507 CG PRO A 34 -5.962 -3.772 -12.004 1.00 1.00 C ATOM 508 CD PRO A 34 -6.161 -4.318 -10.588 1.00 1.00 C ATOM 0 HA PRO A 34 -5.213 -1.200 -10.025 1.00 1.00 H new ATOM 0 HB2 PRO A 34 -5.691 -1.759 -12.686 1.00 1.00 H new ATOM 0 HB3 PRO A 34 -4.293 -2.436 -11.875 1.00 1.00 H new ATOM 0 HG2 PRO A 34 -6.910 -3.736 -12.541 1.00 1.00 H new ATOM 0 HG3 PRO A 34 -5.296 -4.417 -12.577 1.00 1.00 H new ATOM 0 HD2 PRO A 34 -7.106 -4.853 -10.497 1.00 1.00 H new ATOM 0 HD3 PRO A 34 -5.371 -5.018 -10.316 1.00 1.00 H new ATOM 516 N GLN A 35 -8.318 -1.646 -10.382 1.00 1.00 N ATOM 517 CA GLN A 35 -9.590 -0.947 -10.538 1.00 1.00 C ATOM 518 C GLN A 35 -9.645 0.280 -9.630 1.00 1.00 C ATOM 519 O GLN A 35 -10.561 1.095 -9.731 1.00 1.00 O ATOM 520 CB GLN A 35 -10.764 -1.884 -10.223 1.00 1.00 C ATOM 521 CG GLN A 35 -10.402 -2.810 -9.057 1.00 1.00 C ATOM 522 CD GLN A 35 -9.843 -1.994 -7.901 1.00 1.00 C ATOM 523 OE1 GLN A 35 -8.629 -1.820 -7.793 1.00 1.00 O ATOM 524 NE2 GLN A 35 -10.661 -1.473 -7.026 1.00 1.00 N ATOM 0 H GLN A 35 -8.391 -2.589 -10.000 1.00 1.00 H new ATOM 0 HA GLN A 35 -9.671 -0.620 -11.575 1.00 1.00 H new ATOM 0 HB2 GLN A 35 -11.649 -1.299 -9.972 1.00 1.00 H new ATOM 0 HB3 GLN A 35 -11.013 -2.476 -11.104 1.00 1.00 H new ATOM 0 HG2 GLN A 35 -11.284 -3.361 -8.731 1.00 1.00 H new ATOM 0 HG3 GLN A 35 -9.668 -3.547 -9.381 1.00 1.00 H new ATOM 0 HE21 GLN A 35 -11.666 -1.619 -7.118 1.00 1.00 H new ATOM 0 HE22 GLN A 35 -10.294 -0.920 -6.251 1.00 1.00 H new ATOM 533 N TYR A 36 -8.654 0.412 -8.750 1.00 1.00 N ATOM 534 CA TYR A 36 -8.605 1.556 -7.842 1.00 1.00 C ATOM 535 C TYR A 36 -7.882 2.721 -8.500 1.00 1.00 C ATOM 536 O TYR A 36 -8.492 3.743 -8.797 1.00 1.00 O ATOM 537 CB TYR A 36 -7.883 1.184 -6.544 1.00 1.00 C ATOM 538 CG TYR A 36 -8.803 0.381 -5.655 1.00 1.00 C ATOM 539 CD1 TYR A 36 -9.975 0.959 -5.152 1.00 1.00 C ATOM 540 CD2 TYR A 36 -8.485 -0.945 -5.338 1.00 1.00 C ATOM 541 CE1 TYR A 36 -10.829 0.211 -4.333 1.00 1.00 C ATOM 542 CE2 TYR A 36 -9.341 -1.693 -4.519 1.00 1.00 C ATOM 543 CZ TYR A 36 -10.512 -1.115 -4.017 1.00 1.00 C ATOM 544 OH TYR A 36 -11.353 -1.854 -3.214 1.00 1.00 O ATOM 0 H TYR A 36 -7.884 -0.249 -8.647 1.00 1.00 H new ATOM 0 HA TYR A 36 -9.630 1.847 -7.611 1.00 1.00 H new ATOM 0 HB2 TYR A 36 -6.986 0.607 -6.769 1.00 1.00 H new ATOM 0 HB3 TYR A 36 -7.560 2.087 -6.026 1.00 1.00 H new ATOM 0 HD1 TYR A 36 -10.220 1.982 -5.396 1.00 1.00 H new ATOM 0 HD2 TYR A 36 -7.581 -1.391 -5.724 1.00 1.00 H new ATOM 0 HE1 TYR A 36 -11.733 0.657 -3.945 1.00 1.00 H new ATOM 0 HE2 TYR A 36 -9.097 -2.716 -4.275 1.00 1.00 H new ATOM 0 HH TYR A 36 -10.985 -2.754 -3.095 1.00 1.00 H new ATOM 554 N ALA A 37 -6.580 2.553 -8.724 1.00 1.00 N ATOM 555 CA ALA A 37 -5.770 3.596 -9.351 1.00 1.00 C ATOM 556 C ALA A 37 -6.573 4.323 -10.422 1.00 1.00 C ATOM 557 O ALA A 37 -6.476 5.541 -10.569 1.00 1.00 O ATOM 558 CB ALA A 37 -4.520 2.978 -9.977 1.00 1.00 C ATOM 0 H ALA A 37 -6.064 1.707 -8.481 1.00 1.00 H new ATOM 0 HA ALA A 37 -5.475 4.313 -8.585 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -3.921 3.761 -10.442 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -3.933 2.483 -9.204 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -4.814 2.249 -10.732 1.00 1.00 H new ATOM 564 N GLN A 38 -7.371 3.566 -11.162 1.00 1.00 N ATOM 565 CA GLN A 38 -8.197 4.143 -12.213 1.00 1.00 C ATOM 566 C GLN A 38 -8.917 5.387 -11.699 1.00 1.00 C ATOM 567 O GLN A 38 -8.977 6.410 -12.381 1.00 1.00 O ATOM 568 CB GLN A 38 -9.223 3.112 -12.682 1.00 1.00 C ATOM 569 CG GLN A 38 -8.768 2.502 -14.009 1.00 1.00 C ATOM 570 CD GLN A 38 -8.880 3.536 -15.124 1.00 1.00 C ATOM 571 OE1 GLN A 38 -7.833 4.246 -15.447 1.00 1.00 O flip ATOM 572 NE2 GLN A 38 -9.945 3.700 -15.718 1.00 1.00 N flip ATOM 0 H GLN A 38 -7.464 2.556 -11.055 1.00 1.00 H new ATOM 0 HA GLN A 38 -7.557 4.427 -13.048 1.00 1.00 H new ATOM 0 HB2 GLN A 38 -9.337 2.330 -11.931 1.00 1.00 H new ATOM 0 HB3 GLN A 38 -10.198 3.583 -12.802 1.00 1.00 H new ATOM 0 HG2 GLN A 38 -7.738 2.156 -13.925 1.00 1.00 H new ATOM 0 HG3 GLN A 38 -9.379 1.631 -14.247 1.00 1.00 H new ATOM 0 HE21 GLN A 38 -10.762 3.144 -15.464 1.00 1.00 H new ATOM 0 HE22 GLN A 38 -10.011 4.392 -16.465 1.00 1.00 H new ATOM 581 N LEU A 39 -9.463 5.286 -10.491 1.00 1.00 N ATOM 582 CA LEU A 39 -10.181 6.403 -9.886 1.00 1.00 C ATOM 583 C LEU A 39 -9.292 7.643 -9.811 1.00 1.00 C ATOM 584 O LEU A 39 -9.783 8.771 -9.850 1.00 1.00 O ATOM 585 CB LEU A 39 -10.648 6.016 -8.478 1.00 1.00 C ATOM 586 CG LEU A 39 -11.921 5.169 -8.574 1.00 1.00 C ATOM 587 CD1 LEU A 39 -11.984 4.207 -7.388 1.00 1.00 C ATOM 588 CD2 LEU A 39 -13.147 6.085 -8.548 1.00 1.00 C ATOM 0 H LEU A 39 -9.422 4.446 -9.914 1.00 1.00 H new ATOM 0 HA LEU A 39 -11.046 6.635 -10.508 1.00 1.00 H new ATOM 0 HB2 LEU A 39 -9.865 5.457 -7.965 1.00 1.00 H new ATOM 0 HB3 LEU A 39 -10.839 6.912 -7.888 1.00 1.00 H new ATOM 0 HG LEU A 39 -11.909 4.601 -9.504 1.00 1.00 H new ATOM 0 HD11 LEU A 39 -12.890 3.604 -7.456 1.00 1.00 H new ATOM 0 HD12 LEU A 39 -11.111 3.554 -7.403 1.00 1.00 H new ATOM 0 HD13 LEU A 39 -11.996 4.776 -6.458 1.00 1.00 H new ATOM 0 HD21 LEU A 39 -14.053 5.483 -8.616 1.00 1.00 H new ATOM 0 HD22 LEU A 39 -13.158 6.652 -7.617 1.00 1.00 H new ATOM 0 HD23 LEU A 39 -13.105 6.774 -9.392 1.00 1.00 H new ATOM 600 N TYR A 40 -7.984 7.426 -9.703 1.00 1.00 N ATOM 601 CA TYR A 40 -7.038 8.537 -9.624 1.00 1.00 C ATOM 602 C TYR A 40 -7.262 9.513 -10.771 1.00 1.00 C ATOM 603 O TYR A 40 -7.547 10.690 -10.549 1.00 1.00 O ATOM 604 CB TYR A 40 -5.605 8.010 -9.680 1.00 1.00 C ATOM 605 CG TYR A 40 -4.648 9.136 -9.377 1.00 1.00 C ATOM 606 CD1 TYR A 40 -4.618 9.702 -8.096 1.00 1.00 C ATOM 607 CD2 TYR A 40 -3.789 9.614 -10.374 1.00 1.00 C ATOM 608 CE1 TYR A 40 -3.729 10.745 -7.814 1.00 1.00 C ATOM 609 CE2 TYR A 40 -2.901 10.659 -10.091 1.00 1.00 C ATOM 610 CZ TYR A 40 -2.870 11.225 -8.811 1.00 1.00 C ATOM 611 OH TYR A 40 -1.995 12.253 -8.532 1.00 1.00 O ATOM 0 H TYR A 40 -7.557 6.500 -9.668 1.00 1.00 H new ATOM 0 HA TYR A 40 -7.199 9.057 -8.679 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -5.474 7.202 -8.960 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -5.396 7.595 -10.666 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -5.280 9.334 -7.327 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -3.811 9.177 -11.361 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -3.705 11.181 -6.826 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -2.240 11.029 -10.861 1.00 1.00 H new ATOM 0 HH TYR A 40 -1.471 12.463 -9.333 1.00 1.00 H new ATOM 621 N GLU A 41 -7.130 9.019 -11.994 1.00 1.00 N ATOM 622 CA GLU A 41 -7.320 9.862 -13.166 1.00 1.00 C ATOM 623 C GLU A 41 -8.537 10.764 -12.980 1.00 1.00 C ATOM 624 O GLU A 41 -8.560 11.894 -13.464 1.00 1.00 O ATOM 625 CB GLU A 41 -7.503 8.990 -14.408 1.00 1.00 C ATOM 626 CG GLU A 41 -6.570 7.783 -14.322 1.00 1.00 C ATOM 627 CD GLU A 41 -5.199 8.216 -13.816 1.00 1.00 C ATOM 628 OE1 GLU A 41 -4.673 9.181 -14.342 1.00 1.00 O ATOM 629 OE2 GLU A 41 -4.694 7.573 -12.910 1.00 1.00 O ATOM 0 H GLU A 41 -6.894 8.048 -12.200 1.00 1.00 H new ATOM 0 HA GLU A 41 -6.437 10.489 -13.294 1.00 1.00 H new ATOM 0 HB2 GLU A 41 -8.539 8.658 -14.484 1.00 1.00 H new ATOM 0 HB3 GLU A 41 -7.287 9.568 -15.307 1.00 1.00 H new ATOM 0 HG2 GLU A 41 -6.993 7.033 -13.653 1.00 1.00 H new ATOM 0 HG3 GLU A 41 -6.474 7.317 -15.303 1.00 1.00 H new ATOM 636 N ASP A 42 -9.542 10.256 -12.275 1.00 1.00 N ATOM 637 CA ASP A 42 -10.755 11.027 -12.030 1.00 1.00 C ATOM 638 C ASP A 42 -10.633 11.820 -10.732 1.00 1.00 C ATOM 639 O ASP A 42 -11.308 12.832 -10.545 1.00 1.00 O ATOM 640 CB ASP A 42 -11.959 10.087 -11.943 1.00 1.00 C ATOM 641 CG ASP A 42 -13.220 10.809 -12.403 1.00 1.00 C ATOM 642 OD1 ASP A 42 -13.442 11.921 -11.951 1.00 1.00 O ATOM 643 OD2 ASP A 42 -13.948 10.240 -13.199 1.00 1.00 O ATOM 0 H ASP A 42 -9.542 9.322 -11.866 1.00 1.00 H new ATOM 0 HA ASP A 42 -10.895 11.724 -12.856 1.00 1.00 H new ATOM 0 HB2 ASP A 42 -11.788 9.206 -12.562 1.00 1.00 H new ATOM 0 HB3 ASP A 42 -12.084 9.737 -10.918 1.00 1.00 H new ATOM 648 N SER A 43 -9.763 11.354 -9.841 1.00 1.00 N ATOM 649 CA SER A 43 -9.554 12.028 -8.565 1.00 1.00 C ATOM 650 C SER A 43 -10.674 11.693 -7.582 1.00 1.00 C ATOM 651 O SER A 43 -10.745 12.260 -6.492 1.00 1.00 O ATOM 652 CB SER A 43 -9.498 13.541 -8.777 1.00 1.00 C ATOM 653 OG SER A 43 -9.045 13.812 -10.097 1.00 1.00 O ATOM 0 H SER A 43 -9.195 10.518 -9.978 1.00 1.00 H new ATOM 0 HA SER A 43 -8.608 11.681 -8.148 1.00 1.00 H new ATOM 0 HB2 SER A 43 -10.484 13.979 -8.621 1.00 1.00 H new ATOM 0 HB3 SER A 43 -8.828 13.998 -8.049 1.00 1.00 H new ATOM 0 HG SER A 43 -9.815 13.880 -10.700 1.00 1.00 H new ATOM 659 N GLN A 44 -11.544 10.768 -7.973 1.00 1.00 N ATOM 660 CA GLN A 44 -12.655 10.368 -7.114 1.00 1.00 C ATOM 661 C GLN A 44 -12.192 9.329 -6.101 1.00 1.00 C ATOM 662 O GLN A 44 -12.987 8.535 -5.598 1.00 1.00 O ATOM 663 CB GLN A 44 -13.788 9.786 -7.960 1.00 1.00 C ATOM 664 CG GLN A 44 -14.243 10.823 -8.987 1.00 1.00 C ATOM 665 CD GLN A 44 -15.705 11.184 -8.752 1.00 1.00 C ATOM 666 OE1 GLN A 44 -16.062 12.363 -8.754 1.00 1.00 O ATOM 667 NE2 GLN A 44 -16.578 10.236 -8.550 1.00 1.00 N ATOM 0 H GLN A 44 -11.504 10.285 -8.870 1.00 1.00 H new ATOM 0 HA GLN A 44 -13.016 11.248 -6.582 1.00 1.00 H new ATOM 0 HB2 GLN A 44 -13.450 8.881 -8.466 1.00 1.00 H new ATOM 0 HB3 GLN A 44 -14.624 9.501 -7.321 1.00 1.00 H new ATOM 0 HG2 GLN A 44 -13.623 11.716 -8.913 1.00 1.00 H new ATOM 0 HG3 GLN A 44 -14.115 10.429 -9.995 1.00 1.00 H new ATOM 0 HE21 GLN A 44 -16.280 9.260 -8.549 1.00 1.00 H new ATOM 0 HE22 GLN A 44 -17.558 10.470 -8.393 1.00 1.00 H new ATOM 676 N PHE A 45 -10.897 9.342 -5.808 1.00 1.00 N ATOM 677 CA PHE A 45 -10.327 8.397 -4.856 1.00 1.00 C ATOM 678 C PHE A 45 -10.928 8.573 -3.474 1.00 1.00 C ATOM 679 O PHE A 45 -11.230 7.590 -2.798 1.00 1.00 O ATOM 680 CB PHE A 45 -8.811 8.575 -4.777 1.00 1.00 C ATOM 681 CG PHE A 45 -8.135 7.312 -5.248 1.00 1.00 C ATOM 682 CD1 PHE A 45 -8.050 7.036 -6.618 1.00 1.00 C ATOM 683 CD2 PHE A 45 -7.587 6.420 -4.318 1.00 1.00 C ATOM 684 CE1 PHE A 45 -7.416 5.868 -7.057 1.00 1.00 C ATOM 685 CE2 PHE A 45 -6.954 5.252 -4.758 1.00 1.00 C ATOM 686 CZ PHE A 45 -6.868 4.975 -6.128 1.00 1.00 C ATOM 0 H PHE A 45 -10.225 9.993 -6.214 1.00 1.00 H new ATOM 0 HA PHE A 45 -10.560 7.392 -5.209 1.00 1.00 H new ATOM 0 HB2 PHE A 45 -8.500 9.419 -5.393 1.00 1.00 H new ATOM 0 HB3 PHE A 45 -8.513 8.801 -3.753 1.00 1.00 H new ATOM 0 HD1 PHE A 45 -8.473 7.724 -7.335 1.00 1.00 H new ATOM 0 HD2 PHE A 45 -7.653 6.633 -3.261 1.00 1.00 H new ATOM 0 HE1 PHE A 45 -7.349 5.655 -8.114 1.00 1.00 H new ATOM 0 HE2 PHE A 45 -6.532 4.564 -4.041 1.00 1.00 H new ATOM 0 HZ PHE A 45 -6.380 4.074 -6.468 1.00 1.00 H new ATOM 696 N PRO A 46 -11.101 9.785 -3.029 1.00 1.00 N ATOM 697 CA PRO A 46 -11.675 10.031 -1.688 1.00 1.00 C ATOM 698 C PRO A 46 -13.095 9.486 -1.591 1.00 1.00 C ATOM 699 O PRO A 46 -14.006 9.971 -2.257 1.00 1.00 O ATOM 700 CB PRO A 46 -11.660 11.559 -1.539 1.00 1.00 C ATOM 701 CG PRO A 46 -10.780 12.078 -2.632 1.00 1.00 C ATOM 702 CD PRO A 46 -10.776 11.025 -3.738 1.00 1.00 C ATOM 0 HA PRO A 46 -11.111 9.533 -0.900 1.00 1.00 H new ATOM 0 HB2 PRO A 46 -12.667 11.968 -1.623 1.00 1.00 H new ATOM 0 HB3 PRO A 46 -11.278 11.851 -0.561 1.00 1.00 H new ATOM 0 HG2 PRO A 46 -11.153 13.031 -3.008 1.00 1.00 H new ATOM 0 HG3 PRO A 46 -9.770 12.254 -2.263 1.00 1.00 H new ATOM 0 HD2 PRO A 46 -11.512 11.251 -4.510 1.00 1.00 H new ATOM 0 HD3 PRO A 46 -9.806 10.964 -4.230 1.00 1.00 H new ATOM 710 N ILE A 47 -13.259 8.481 -0.741 1.00 1.00 N ATOM 711 CA ILE A 47 -14.558 7.845 -0.524 1.00 1.00 C ATOM 712 C ILE A 47 -14.477 6.925 0.689 1.00 1.00 C ATOM 713 O ILE A 47 -13.422 6.788 1.308 1.00 1.00 O ATOM 714 CB ILE A 47 -14.970 7.004 -1.747 1.00 1.00 C ATOM 715 CG1 ILE A 47 -13.751 6.236 -2.265 1.00 1.00 C ATOM 716 CG2 ILE A 47 -15.523 7.883 -2.880 1.00 1.00 C ATOM 717 CD1 ILE A 47 -14.155 4.797 -2.585 1.00 1.00 C ATOM 0 H ILE A 47 -12.503 8.083 -0.184 1.00 1.00 H new ATOM 0 HA ILE A 47 -15.298 8.629 -0.363 1.00 1.00 H new ATOM 0 HB ILE A 47 -15.755 6.316 -1.433 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -13.354 6.721 -3.157 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -12.957 6.245 -1.518 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -15.803 7.254 -3.725 1.00 1.00 H new ATOM 0 HG22 ILE A 47 -16.400 8.425 -2.525 1.00 1.00 H new ATOM 0 HG23 ILE A 47 -14.759 8.594 -3.194 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -13.288 4.249 -2.954 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -14.531 4.315 -1.682 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -14.934 4.799 -3.347 1.00 1.00 H new ATOM 729 N ASN A 48 -15.594 6.284 1.017 1.00 1.00 N ATOM 730 CA ASN A 48 -15.631 5.368 2.151 1.00 1.00 C ATOM 731 C ASN A 48 -14.689 4.191 1.906 1.00 1.00 C ATOM 732 O ASN A 48 -15.066 3.206 1.271 1.00 1.00 O ATOM 733 CB ASN A 48 -17.055 4.853 2.357 1.00 1.00 C ATOM 734 CG ASN A 48 -17.586 4.267 1.054 1.00 1.00 C ATOM 735 OD1 ASN A 48 -16.916 4.334 0.023 1.00 1.00 O ATOM 736 ND2 ASN A 48 -18.758 3.691 1.037 1.00 1.00 N ATOM 0 H ASN A 48 -16.479 6.380 0.518 1.00 1.00 H new ATOM 0 HA ASN A 48 -15.309 5.902 3.045 1.00 1.00 H new ATOM 0 HB2 ASN A 48 -17.067 4.094 3.139 1.00 1.00 H new ATOM 0 HB3 ASN A 48 -17.701 5.665 2.691 1.00 1.00 H new ATOM 0 HD21 ASN A 48 -19.120 3.296 0.169 1.00 1.00 H new ATOM 0 HD22 ASN A 48 -19.312 3.636 1.892 1.00 1.00 H new ATOM 743 N ILE A 49 -13.463 4.306 2.406 1.00 1.00 N ATOM 744 CA ILE A 49 -12.474 3.248 2.229 1.00 1.00 C ATOM 745 C ILE A 49 -13.015 1.912 2.722 1.00 1.00 C ATOM 746 O ILE A 49 -13.175 0.977 1.947 1.00 1.00 O ATOM 747 CB ILE A 49 -11.196 3.596 2.994 1.00 1.00 C ATOM 748 CG1 ILE A 49 -10.508 4.782 2.309 1.00 1.00 C ATOM 749 CG2 ILE A 49 -10.262 2.380 2.994 1.00 1.00 C ATOM 750 CD1 ILE A 49 -9.329 5.276 3.155 1.00 1.00 C ATOM 0 H ILE A 49 -13.132 5.114 2.933 1.00 1.00 H new ATOM 0 HA ILE A 49 -12.252 3.163 1.165 1.00 1.00 H new ATOM 0 HB ILE A 49 -11.438 3.864 4.023 1.00 1.00 H new ATOM 0 HG12 ILE A 49 -10.156 4.486 1.321 1.00 1.00 H new ATOM 0 HG13 ILE A 49 -11.224 5.591 2.163 1.00 1.00 H new ATOM 0 HG21 ILE A 49 -9.349 2.622 3.538 1.00 1.00 H new ATOM 0 HG22 ILE A 49 -10.760 1.539 3.477 1.00 1.00 H new ATOM 0 HG23 ILE A 49 -10.012 2.113 1.967 1.00 1.00 H new ATOM 0 HD11 ILE A 49 -8.850 6.118 2.656 1.00 1.00 H new ATOM 0 HD12 ILE A 49 -9.691 5.592 4.134 1.00 1.00 H new ATOM 0 HD13 ILE A 49 -8.606 4.469 3.278 1.00 1.00 H new ATOM 762 N VAL A 50 -13.278 1.829 4.019 1.00 1.00 N ATOM 763 CA VAL A 50 -13.791 0.596 4.612 1.00 1.00 C ATOM 764 C VAL A 50 -14.770 -0.108 3.669 1.00 1.00 C ATOM 765 O VAL A 50 -14.721 -1.328 3.507 1.00 1.00 O ATOM 766 CB VAL A 50 -14.489 0.909 5.934 1.00 1.00 C ATOM 767 CG1 VAL A 50 -14.594 -0.366 6.771 1.00 1.00 C ATOM 768 CG2 VAL A 50 -13.676 1.954 6.702 1.00 1.00 C ATOM 0 H VAL A 50 -13.146 2.595 4.680 1.00 1.00 H new ATOM 0 HA VAL A 50 -12.947 -0.071 4.789 1.00 1.00 H new ATOM 0 HB VAL A 50 -15.488 1.296 5.734 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -15.092 -0.142 7.714 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -15.170 -1.113 6.225 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -13.595 -0.753 6.971 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -14.172 2.179 7.646 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -12.678 1.564 6.901 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -13.598 2.864 6.107 1.00 1.00 H new ATOM 778 N ALA A 51 -15.673 0.664 3.074 1.00 1.00 N ATOM 779 CA ALA A 51 -16.681 0.109 2.172 1.00 1.00 C ATOM 780 C ALA A 51 -16.064 -0.612 0.970 1.00 1.00 C ATOM 781 O ALA A 51 -16.674 -1.531 0.424 1.00 1.00 O ATOM 782 CB ALA A 51 -17.597 1.224 1.672 1.00 1.00 C ATOM 0 H ALA A 51 -15.729 1.675 3.199 1.00 1.00 H new ATOM 0 HA ALA A 51 -17.248 -0.627 2.742 1.00 1.00 H new ATOM 0 HB1 ALA A 51 -18.346 0.805 1.000 1.00 1.00 H new ATOM 0 HB2 ALA A 51 -18.093 1.695 2.520 1.00 1.00 H new ATOM 0 HB3 ALA A 51 -17.006 1.968 1.138 1.00 1.00 H new ATOM 788 N VAL A 52 -14.869 -0.209 0.553 1.00 1.00 N ATOM 789 CA VAL A 52 -14.231 -0.859 -0.592 1.00 1.00 C ATOM 790 C VAL A 52 -13.400 -2.053 -0.136 1.00 1.00 C ATOM 791 O VAL A 52 -13.406 -3.104 -0.774 1.00 1.00 O ATOM 792 CB VAL A 52 -13.369 0.139 -1.383 1.00 1.00 C ATOM 793 CG1 VAL A 52 -13.955 1.541 -1.236 1.00 1.00 C ATOM 794 CG2 VAL A 52 -11.921 0.145 -0.873 1.00 1.00 C ATOM 0 H VAL A 52 -14.331 0.546 0.977 1.00 1.00 H new ATOM 0 HA VAL A 52 -15.015 -1.222 -1.256 1.00 1.00 H new ATOM 0 HB VAL A 52 -13.368 -0.164 -2.430 1.00 1.00 H new ATOM 0 HG11 VAL A 52 -13.346 2.251 -1.796 1.00 1.00 H new ATOM 0 HG12 VAL A 52 -14.974 1.552 -1.624 1.00 1.00 H new ATOM 0 HG13 VAL A 52 -13.965 1.823 -0.183 1.00 1.00 H new ATOM 0 HG21 VAL A 52 -11.335 0.860 -1.451 1.00 1.00 H new ATOM 0 HG22 VAL A 52 -11.907 0.430 0.179 1.00 1.00 H new ATOM 0 HG23 VAL A 52 -11.492 -0.851 -0.985 1.00 1.00 H new ATOM 804 N LYS A 53 -12.692 -1.888 0.975 1.00 1.00 N ATOM 805 CA LYS A 53 -11.869 -2.964 1.506 1.00 1.00 C ATOM 806 C LYS A 53 -12.739 -4.155 1.887 1.00 1.00 C ATOM 807 O LYS A 53 -12.342 -5.306 1.727 1.00 1.00 O ATOM 808 CB LYS A 53 -11.114 -2.480 2.741 1.00 1.00 C ATOM 809 CG LYS A 53 -10.568 -1.073 2.490 1.00 1.00 C ATOM 810 CD LYS A 53 -9.307 -0.858 3.327 1.00 1.00 C ATOM 811 CE LYS A 53 -9.638 -1.043 4.810 1.00 1.00 C ATOM 812 NZ LYS A 53 -9.259 -2.421 5.232 1.00 1.00 N ATOM 0 H LYS A 53 -12.672 -1.026 1.521 1.00 1.00 H new ATOM 0 HA LYS A 53 -11.158 -3.268 0.738 1.00 1.00 H new ATOM 0 HB2 LYS A 53 -11.777 -2.475 3.606 1.00 1.00 H new ATOM 0 HB3 LYS A 53 -10.296 -3.163 2.970 1.00 1.00 H new ATOM 0 HG2 LYS A 53 -10.341 -0.943 1.432 1.00 1.00 H new ATOM 0 HG3 LYS A 53 -11.320 -0.328 2.749 1.00 1.00 H new ATOM 0 HD2 LYS A 53 -8.533 -1.564 3.026 1.00 1.00 H new ATOM 0 HD3 LYS A 53 -8.910 0.142 3.155 1.00 1.00 H new ATOM 0 HE2 LYS A 53 -9.102 -0.307 5.409 1.00 1.00 H new ATOM 0 HE3 LYS A 53 -10.702 -0.878 4.980 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 -8.671 -2.372 6.089 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 -10.118 -2.971 5.432 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 -8.722 -2.882 4.470 1.00 1.00 H new ATOM 969 N LEU A 63 -2.894 -8.411 1.899 1.00 1.00 N ATOM 970 CA LEU A 63 -2.904 -7.379 0.870 1.00 1.00 C ATOM 971 C LEU A 63 -4.004 -6.360 1.148 1.00 1.00 C ATOM 972 O LEU A 63 -4.139 -5.369 0.432 1.00 1.00 O ATOM 973 CB LEU A 63 -3.118 -8.019 -0.506 1.00 1.00 C ATOM 974 CG LEU A 63 -2.148 -7.421 -1.535 1.00 1.00 C ATOM 975 CD1 LEU A 63 -0.700 -7.749 -1.153 1.00 1.00 C ATOM 976 CD2 LEU A 63 -2.448 -8.013 -2.913 1.00 1.00 C ATOM 0 HA LEU A 63 -1.943 -6.864 0.881 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -2.968 -9.097 -0.440 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -4.146 -7.860 -0.832 1.00 1.00 H new ATOM 0 HG LEU A 63 -2.275 -6.339 -1.555 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -0.023 -7.319 -1.891 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -0.479 -7.331 -0.171 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -0.567 -8.831 -1.125 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -1.762 -7.591 -3.647 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -2.323 -9.095 -2.879 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -3.473 -7.775 -3.196 1.00 1.00 H new ATOM 988 N VAL A 64 -4.781 -6.606 2.200 1.00 1.00 N ATOM 989 CA VAL A 64 -5.858 -5.694 2.570 1.00 1.00 C ATOM 990 C VAL A 64 -5.306 -4.555 3.417 1.00 1.00 C ATOM 991 O VAL A 64 -5.728 -3.407 3.289 1.00 1.00 O ATOM 992 CB VAL A 64 -6.936 -6.443 3.351 1.00 1.00 C ATOM 993 CG1 VAL A 64 -7.869 -5.437 4.027 1.00 1.00 C ATOM 994 CG2 VAL A 64 -7.744 -7.318 2.391 1.00 1.00 C ATOM 0 H VAL A 64 -4.686 -7.421 2.806 1.00 1.00 H new ATOM 0 HA VAL A 64 -6.299 -5.284 1.661 1.00 1.00 H new ATOM 0 HB VAL A 64 -6.466 -7.070 4.109 1.00 1.00 H new ATOM 0 HG11 VAL A 64 -8.638 -5.972 4.584 1.00 1.00 H new ATOM 0 HG12 VAL A 64 -7.295 -4.811 4.710 1.00 1.00 H new ATOM 0 HG13 VAL A 64 -8.339 -4.811 3.269 1.00 1.00 H new ATOM 0 HG21 VAL A 64 -8.514 -7.853 2.947 1.00 1.00 H new ATOM 0 HG22 VAL A 64 -8.214 -6.690 1.634 1.00 1.00 H new ATOM 0 HG23 VAL A 64 -7.081 -8.035 1.907 1.00 1.00 H new ATOM 1004 N GLU A 65 -4.350 -4.880 4.280 1.00 1.00 N ATOM 1005 CA GLU A 65 -3.733 -3.874 5.134 1.00 1.00 C ATOM 1006 C GLU A 65 -3.131 -2.755 4.286 1.00 1.00 C ATOM 1007 O GLU A 65 -3.575 -1.609 4.365 1.00 1.00 O ATOM 1008 CB GLU A 65 -2.649 -4.508 6.008 1.00 1.00 C ATOM 1009 CG GLU A 65 -3.189 -4.708 7.425 1.00 1.00 C ATOM 1010 CD GLU A 65 -3.242 -3.368 8.151 1.00 1.00 C ATOM 1011 OE1 GLU A 65 -4.229 -2.667 7.991 1.00 1.00 O ATOM 1012 OE2 GLU A 65 -2.288 -3.055 8.845 1.00 1.00 O ATOM 0 H GLU A 65 -3.988 -5.825 4.406 1.00 1.00 H new ATOM 0 HA GLU A 65 -4.503 -3.452 5.780 1.00 1.00 H new ATOM 0 HB2 GLU A 65 -2.340 -5.465 5.587 1.00 1.00 H new ATOM 0 HB3 GLU A 65 -1.766 -3.870 6.031 1.00 1.00 H new ATOM 0 HG2 GLU A 65 -4.184 -5.150 7.386 1.00 1.00 H new ATOM 0 HG3 GLU A 65 -2.552 -5.404 7.972 1.00 1.00 H new ATOM 1019 N PRO A 66 -2.141 -3.054 3.475 1.00 1.00 N ATOM 1020 CA PRO A 66 -1.497 -2.029 2.604 1.00 1.00 C ATOM 1021 C PRO A 66 -2.519 -1.298 1.738 1.00 1.00 C ATOM 1022 O PRO A 66 -2.359 -0.116 1.441 1.00 1.00 O ATOM 1023 CB PRO A 66 -0.509 -2.824 1.735 1.00 1.00 C ATOM 1024 CG PRO A 66 -0.843 -4.264 1.935 1.00 1.00 C ATOM 1025 CD PRO A 66 -1.524 -4.377 3.293 1.00 1.00 C ATOM 0 HA PRO A 66 -1.006 -1.253 3.191 1.00 1.00 H new ATOM 0 HB2 PRO A 66 -0.602 -2.545 0.685 1.00 1.00 H new ATOM 0 HB3 PRO A 66 0.520 -2.619 2.029 1.00 1.00 H new ATOM 0 HG2 PRO A 66 -1.501 -4.621 1.143 1.00 1.00 H new ATOM 0 HG3 PRO A 66 0.058 -4.877 1.903 1.00 1.00 H new ATOM 0 HD2 PRO A 66 -2.269 -5.173 3.304 1.00 1.00 H new ATOM 0 HD3 PRO A 66 -0.808 -4.599 4.084 1.00 1.00 H new ATOM 1033 N LEU A 67 -3.576 -2.007 1.346 1.00 1.00 N ATOM 1034 CA LEU A 67 -4.621 -1.411 0.520 1.00 1.00 C ATOM 1035 C LEU A 67 -5.204 -0.179 1.204 1.00 1.00 C ATOM 1036 O LEU A 67 -5.459 0.838 0.560 1.00 1.00 O ATOM 1037 CB LEU A 67 -5.734 -2.434 0.270 1.00 1.00 C ATOM 1038 CG LEU A 67 -6.671 -1.922 -0.825 1.00 1.00 C ATOM 1039 CD1 LEU A 67 -6.286 -2.556 -2.163 1.00 1.00 C ATOM 1040 CD2 LEU A 67 -8.112 -2.304 -0.479 1.00 1.00 C ATOM 0 H LEU A 67 -3.730 -2.987 1.585 1.00 1.00 H new ATOM 0 HA LEU A 67 -4.182 -1.111 -0.432 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -5.302 -3.390 -0.026 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -6.294 -2.608 1.189 1.00 1.00 H new ATOM 0 HG LEU A 67 -6.587 -0.838 -0.898 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -6.954 -2.191 -2.944 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -5.259 -2.289 -2.410 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -6.371 -3.640 -2.090 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -8.782 -1.940 -1.258 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -8.194 -3.389 -0.408 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -8.388 -1.856 0.475 1.00 1.00 H new ATOM 1052 N CYS A 68 -5.409 -0.277 2.513 1.00 1.00 N ATOM 1053 CA CYS A 68 -5.962 0.837 3.274 1.00 1.00 C ATOM 1054 C CYS A 68 -4.968 1.991 3.330 1.00 1.00 C ATOM 1055 O CYS A 68 -5.356 3.153 3.431 1.00 1.00 O ATOM 1056 CB CYS A 68 -6.301 0.382 4.695 1.00 1.00 C ATOM 1057 SG CYS A 68 -4.804 0.412 5.712 1.00 1.00 S ATOM 0 H CYS A 68 -5.203 -1.109 3.065 1.00 1.00 H new ATOM 0 HA CYS A 68 -6.870 1.178 2.777 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -7.059 1.035 5.126 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -6.720 -0.624 4.676 1.00 1.00 H new ATOM 0 HG CYS A 68 -3.902 -0.358 5.179 1.00 1.00 H new ATOM 1063 N ARG A 69 -3.683 1.660 3.266 1.00 1.00 N ATOM 1064 CA ARG A 69 -2.639 2.679 3.309 1.00 1.00 C ATOM 1065 C ARG A 69 -2.662 3.522 2.039 1.00 1.00 C ATOM 1066 O ARG A 69 -2.597 4.750 2.096 1.00 1.00 O ATOM 1067 CB ARG A 69 -1.270 2.016 3.455 1.00 1.00 C ATOM 1068 CG ARG A 69 -0.562 2.571 4.694 1.00 1.00 C ATOM 1069 CD ARG A 69 0.861 2.014 4.760 1.00 1.00 C ATOM 1070 NE ARG A 69 1.087 1.359 6.043 1.00 1.00 N ATOM 1071 CZ ARG A 69 0.619 0.139 6.284 1.00 1.00 C ATOM 1072 NH1 ARG A 69 -0.054 -0.495 5.364 1.00 1.00 N ATOM 1073 NH2 ARG A 69 0.832 -0.424 7.442 1.00 1.00 N ATOM 0 H ARG A 69 -3.340 0.703 3.185 1.00 1.00 H new ATOM 0 HA ARG A 69 -2.824 3.326 4.166 1.00 1.00 H new ATOM 0 HB2 ARG A 69 -1.385 0.936 3.542 1.00 1.00 H new ATOM 0 HB3 ARG A 69 -0.668 2.201 2.566 1.00 1.00 H new ATOM 0 HG2 ARG A 69 -0.536 3.660 4.654 1.00 1.00 H new ATOM 0 HG3 ARG A 69 -1.113 2.298 5.594 1.00 1.00 H new ATOM 0 HD2 ARG A 69 1.019 1.304 3.948 1.00 1.00 H new ATOM 0 HD3 ARG A 69 1.582 2.820 4.623 1.00 1.00 H new ATOM 0 HE ARG A 69 1.614 1.846 6.768 1.00 1.00 H new ATOM 0 HH11 ARG A 69 -0.221 -0.054 4.459 1.00 1.00 H new ATOM 0 HH12 ARG A 69 -0.413 -1.432 5.549 1.00 1.00 H new ATOM 0 HH21 ARG A 69 1.357 0.073 8.162 1.00 1.00 H new ATOM 0 HH22 ARG A 69 0.473 -1.361 7.628 1.00 1.00 H new ATOM 1087 N ARG A 70 -2.752 2.854 0.893 1.00 1.00 N ATOM 1088 CA ARG A 70 -2.780 3.552 -0.386 1.00 1.00 C ATOM 1089 C ARG A 70 -4.040 4.401 -0.511 1.00 1.00 C ATOM 1090 O ARG A 70 -3.970 5.630 -0.535 1.00 1.00 O ATOM 1091 CB ARG A 70 -2.729 2.543 -1.542 1.00 1.00 C ATOM 1092 CG ARG A 70 -1.581 1.538 -1.353 1.00 1.00 C ATOM 1093 CD ARG A 70 -0.322 2.228 -0.815 1.00 1.00 C ATOM 1094 NE ARG A 70 0.821 1.328 -0.922 1.00 1.00 N ATOM 1095 CZ ARG A 70 2.067 1.786 -0.857 1.00 1.00 C ATOM 1096 NH1 ARG A 70 2.286 3.060 -0.680 1.00 1.00 N ATOM 1097 NH2 ARG A 70 3.072 0.961 -0.971 1.00 1.00 N ATOM 0 H ARG A 70 -2.806 1.838 0.824 1.00 1.00 H new ATOM 0 HA ARG A 70 -1.908 4.204 -0.434 1.00 1.00 H new ATOM 0 HB2 ARG A 70 -3.677 2.009 -1.604 1.00 1.00 H new ATOM 0 HB3 ARG A 70 -2.600 3.073 -2.486 1.00 1.00 H new ATOM 0 HG2 ARG A 70 -1.891 0.753 -0.663 1.00 1.00 H new ATOM 0 HG3 ARG A 70 -1.356 1.056 -2.304 1.00 1.00 H new ATOM 0 HD2 ARG A 70 -0.130 3.142 -1.376 1.00 1.00 H new ATOM 0 HD3 ARG A 70 -0.472 2.518 0.225 1.00 1.00 H new ATOM 0 HE ARG A 70 0.661 0.329 -1.049 1.00 1.00 H new ATOM 0 HH11 ARG A 70 1.501 3.705 -0.591 1.00 1.00 H new ATOM 0 HH12 ARG A 70 3.242 3.411 -0.630 1.00 1.00 H new ATOM 0 HH21 ARG A 70 2.901 -0.035 -1.110 1.00 1.00 H new ATOM 0 HH22 ARG A 70 4.028 1.312 -0.921 1.00 1.00 H new ATOM 1111 N LEU A 71 -5.192 3.743 -0.594 1.00 1.00 N ATOM 1112 CA LEU A 71 -6.457 4.458 -0.723 1.00 1.00 C ATOM 1113 C LEU A 71 -6.485 5.665 0.209 1.00 1.00 C ATOM 1114 O LEU A 71 -6.781 6.782 -0.215 1.00 1.00 O ATOM 1115 CB LEU A 71 -7.627 3.527 -0.393 1.00 1.00 C ATOM 1116 CG LEU A 71 -7.595 2.298 -1.313 1.00 1.00 C ATOM 1117 CD1 LEU A 71 -8.389 1.166 -0.662 1.00 1.00 C ATOM 1118 CD2 LEU A 71 -8.217 2.632 -2.678 1.00 1.00 C ATOM 0 H LEU A 71 -5.276 2.727 -0.575 1.00 1.00 H new ATOM 0 HA LEU A 71 -6.552 4.803 -1.753 1.00 1.00 H new ATOM 0 HB2 LEU A 71 -7.570 3.213 0.649 1.00 1.00 H new ATOM 0 HB3 LEU A 71 -8.571 4.058 -0.515 1.00 1.00 H new ATOM 0 HG LEU A 71 -6.559 1.994 -1.463 1.00 1.00 H new ATOM 0 HD11 LEU A 71 -8.371 0.290 -1.310 1.00 1.00 H new ATOM 0 HD12 LEU A 71 -7.943 0.915 0.300 1.00 1.00 H new ATOM 0 HD13 LEU A 71 -9.420 1.485 -0.512 1.00 1.00 H new ATOM 0 HD21 LEU A 71 -8.186 1.750 -3.318 1.00 1.00 H new ATOM 0 HD22 LEU A 71 -9.252 2.944 -2.540 1.00 1.00 H new ATOM 0 HD23 LEU A 71 -7.654 3.440 -3.146 1.00 1.00 H new ATOM 1130 N ASN A 72 -6.171 5.436 1.479 1.00 1.00 N ATOM 1131 CA ASN A 72 -6.160 6.516 2.457 1.00 1.00 C ATOM 1132 C ASN A 72 -5.228 7.635 2.008 1.00 1.00 C ATOM 1133 O ASN A 72 -5.517 8.813 2.213 1.00 1.00 O ATOM 1134 CB ASN A 72 -5.707 5.982 3.817 1.00 1.00 C ATOM 1135 CG ASN A 72 -5.768 7.090 4.862 1.00 1.00 C ATOM 1136 OD1 ASN A 72 -4.741 7.482 5.414 1.00 1.00 O ATOM 1137 ND2 ASN A 72 -6.921 7.618 5.172 1.00 1.00 N ATOM 0 H ASN A 72 -5.923 4.520 1.853 1.00 1.00 H new ATOM 0 HA ASN A 72 -7.170 6.916 2.543 1.00 1.00 H new ATOM 0 HB2 ASN A 72 -6.343 5.150 4.120 1.00 1.00 H new ATOM 0 HB3 ASN A 72 -4.690 5.596 3.744 1.00 1.00 H new ATOM 0 HD21 ASN A 72 -6.971 8.357 5.873 1.00 1.00 H new ATOM 0 HD22 ASN A 72 -7.771 7.291 4.713 1.00 1.00 H new ATOM 1144 N THR A 73 -4.112 7.260 1.392 1.00 1.00 N ATOM 1145 CA THR A 73 -3.149 8.247 0.919 1.00 1.00 C ATOM 1146 C THR A 73 -3.698 8.998 -0.289 1.00 1.00 C ATOM 1147 O THR A 73 -3.855 10.218 -0.251 1.00 1.00 O ATOM 1148 CB THR A 73 -1.833 7.563 0.540 1.00 1.00 C ATOM 1149 OG1 THR A 73 -1.405 6.739 1.615 1.00 1.00 O ATOM 1150 CG2 THR A 73 -0.769 8.625 0.254 1.00 1.00 C ATOM 0 H THR A 73 -3.854 6.290 1.210 1.00 1.00 H new ATOM 0 HA THR A 73 -2.968 8.958 1.725 1.00 1.00 H new ATOM 0 HB THR A 73 -1.982 6.952 -0.350 1.00 1.00 H new ATOM 0 HG1 THR A 73 -1.659 5.810 1.436 1.00 1.00 H new ATOM 0 HG21 THR A 73 0.168 8.138 -0.016 1.00 1.00 H new ATOM 0 HG22 THR A 73 -1.099 9.258 -0.570 1.00 1.00 H new ATOM 0 HG23 THR A 73 -0.617 9.236 1.143 1.00 1.00 H new ATOM 1158 N LEU A 74 -3.991 8.270 -1.361 1.00 1.00 N ATOM 1159 CA LEU A 74 -4.523 8.896 -2.565 1.00 1.00 C ATOM 1160 C LEU A 74 -5.759 9.720 -2.229 1.00 1.00 C ATOM 1161 O LEU A 74 -5.966 10.800 -2.782 1.00 1.00 O ATOM 1162 CB LEU A 74 -4.885 7.830 -3.606 1.00 1.00 C ATOM 1163 CG LEU A 74 -3.655 7.491 -4.460 1.00 1.00 C ATOM 1164 CD1 LEU A 74 -3.969 6.282 -5.343 1.00 1.00 C ATOM 1165 CD2 LEU A 74 -3.283 8.680 -5.357 1.00 1.00 C ATOM 0 H LEU A 74 -3.871 7.259 -1.421 1.00 1.00 H new ATOM 0 HA LEU A 74 -3.756 9.552 -2.978 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -5.250 6.932 -3.107 1.00 1.00 H new ATOM 0 HB3 LEU A 74 -5.692 8.191 -4.243 1.00 1.00 H new ATOM 0 HG LEU A 74 -2.819 7.267 -3.798 1.00 1.00 H new ATOM 0 HD11 LEU A 74 -3.097 6.039 -5.951 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -4.223 5.428 -4.714 1.00 1.00 H new ATOM 0 HD13 LEU A 74 -4.811 6.516 -5.994 1.00 1.00 H new ATOM 0 HD21 LEU A 74 -2.409 8.424 -5.956 1.00 1.00 H new ATOM 0 HD22 LEU A 74 -4.119 8.914 -6.016 1.00 1.00 H new ATOM 0 HD23 LEU A 74 -3.056 9.547 -4.736 1.00 1.00 H new ATOM 1177 N ASN A 75 -6.577 9.206 -1.315 1.00 1.00 N ATOM 1178 CA ASN A 75 -7.789 9.907 -0.909 1.00 1.00 C ATOM 1179 C ASN A 75 -7.448 11.299 -0.388 1.00 1.00 C ATOM 1180 O ASN A 75 -8.277 12.208 -0.429 1.00 1.00 O ATOM 1181 CB ASN A 75 -8.512 9.111 0.179 1.00 1.00 C ATOM 1182 CG ASN A 75 -9.156 7.870 -0.427 1.00 1.00 C ATOM 1183 OD1 ASN A 75 -9.075 7.655 -1.636 1.00 1.00 O ATOM 1184 ND2 ASN A 75 -9.799 7.039 0.347 1.00 1.00 N ATOM 0 H ASN A 75 -6.424 8.314 -0.845 1.00 1.00 H new ATOM 0 HA ASN A 75 -8.441 10.006 -1.777 1.00 1.00 H new ATOM 0 HB2 ASN A 75 -7.808 8.822 0.959 1.00 1.00 H new ATOM 0 HB3 ASN A 75 -9.273 9.732 0.651 1.00 1.00 H new ATOM 0 HD21 ASN A 75 -10.237 6.207 -0.050 1.00 1.00 H new ATOM 0 HD22 ASN A 75 -9.864 7.221 1.349 1.00 1.00 H new ATOM 1191 N LYS A 76 -6.221 11.458 0.096 1.00 1.00 N ATOM 1192 CA LYS A 76 -5.773 12.742 0.619 1.00 1.00 C ATOM 1193 C LYS A 76 -5.089 13.552 -0.476 1.00 1.00 C ATOM 1194 O LYS A 76 -5.362 14.740 -0.650 1.00 1.00 O ATOM 1195 CB LYS A 76 -4.793 12.519 1.770 1.00 1.00 C ATOM 1196 CG LYS A 76 -5.553 12.006 2.993 1.00 1.00 C ATOM 1197 CD LYS A 76 -4.585 11.846 4.168 1.00 1.00 C ATOM 1198 CE LYS A 76 -4.440 10.363 4.516 1.00 1.00 C ATOM 1199 NZ LYS A 76 -5.784 9.785 4.798 1.00 1.00 N ATOM 0 H LYS A 76 -5.522 10.716 0.137 1.00 1.00 H new ATOM 0 HA LYS A 76 -6.642 13.293 0.979 1.00 1.00 H new ATOM 0 HB2 LYS A 76 -4.028 11.801 1.476 1.00 1.00 H new ATOM 0 HB3 LYS A 76 -4.280 13.450 2.011 1.00 1.00 H new ATOM 0 HG2 LYS A 76 -6.350 12.702 3.257 1.00 1.00 H new ATOM 0 HG3 LYS A 76 -6.026 11.051 2.766 1.00 1.00 H new ATOM 0 HD2 LYS A 76 -3.613 12.266 3.911 1.00 1.00 H new ATOM 0 HD3 LYS A 76 -4.952 12.399 5.033 1.00 1.00 H new ATOM 0 HE2 LYS A 76 -3.969 9.829 3.691 1.00 1.00 H new ATOM 0 HE3 LYS A 76 -3.792 10.244 5.384 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 -5.712 9.105 5.582 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 -6.442 10.547 5.060 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 -6.138 9.299 3.949 1.00 1.00 H new ATOM 1213 N CYS A 77 -4.197 12.897 -1.209 1.00 1.00 N ATOM 1214 CA CYS A 77 -3.468 13.554 -2.285 1.00 1.00 C ATOM 1215 C CYS A 77 -4.394 13.855 -3.460 1.00 1.00 C ATOM 1216 O CYS A 77 -4.105 14.723 -4.283 1.00 1.00 O ATOM 1217 CB CYS A 77 -2.323 12.656 -2.752 1.00 1.00 C ATOM 1218 SG CYS A 77 -2.255 12.658 -4.561 1.00 1.00 S ATOM 0 H CYS A 77 -3.962 11.913 -1.078 1.00 1.00 H new ATOM 0 HA CYS A 77 -3.067 14.495 -1.908 1.00 1.00 H new ATOM 0 HB2 CYS A 77 -1.378 13.011 -2.341 1.00 1.00 H new ATOM 0 HB3 CYS A 77 -2.469 11.641 -2.384 1.00 1.00 H new ATOM 0 HG CYS A 77 -2.732 13.780 -5.012 1.00 1.00 H new ATOM 1224 N ALA A 78 -5.504 13.130 -3.532 1.00 1.00 N ATOM 1225 CA ALA A 78 -6.464 13.327 -4.612 1.00 1.00 C ATOM 1226 C ALA A 78 -7.139 14.689 -4.490 1.00 1.00 C ATOM 1227 O ALA A 78 -7.956 15.065 -5.331 1.00 1.00 O ATOM 1228 CB ALA A 78 -7.523 12.227 -4.576 1.00 1.00 C ATOM 0 H ALA A 78 -5.761 12.406 -2.861 1.00 1.00 H new ATOM 0 HA ALA A 78 -5.928 13.285 -5.560 1.00 1.00 H new ATOM 0 HB1 ALA A 78 -8.236 12.382 -5.386 1.00 1.00 H new ATOM 0 HB2 ALA A 78 -7.043 11.256 -4.696 1.00 1.00 H new ATOM 0 HB3 ALA A 78 -8.047 12.257 -3.621 1.00 1.00 H new