USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 512 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 45 SER OG : rot 180:sc= 0.0315 USER MOD Set 1.2: A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 26:sc= 0.275 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 118:sc= 0.238 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00582) USER MOD Single : A 53 GLN : amide:sc= -0.0724 K(o=-0.072,f=-1.6!) USER MOD Single : A 56 ASN : amide:sc= -0.016 K(o=-0.016,f=-2) USER MOD Single : A 57 ASN : amide:sc= -0.551 X(o=-0.55,f=-0.096) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -64:sc= -0.599 USER MOD Single : A 70 THR OG1 : rot -130:sc= -0.385 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 33:sc= 0.0139 USER MOD Single : A 78 SER OG : rot -111:sc= 0.949 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.0146 X(o=-0.015,f=0) USER MOD Single : A 93 TYR OH : rot -140:sc= -0.98! USER MOD ----------------------------------------------------------------- ATOM 324 N THR A 28 7.664 2.839 -0.838 1.00 0.00 N ATOM 325 CA THR A 28 6.981 2.685 -2.116 1.00 0.00 C ATOM 326 C THR A 28 5.477 2.889 -1.964 1.00 0.00 C ATOM 327 O THR A 28 4.837 2.253 -1.127 1.00 0.00 O ATOM 328 CB THR A 28 7.239 1.296 -2.728 1.00 0.00 C ATOM 329 OG1 THR A 28 8.630 0.970 -2.633 1.00 0.00 O ATOM 330 CG2 THR A 28 6.802 1.256 -4.184 1.00 0.00 C ATOM 0 HA THR A 28 7.383 3.448 -2.783 1.00 0.00 H new ATOM 0 HB THR A 28 6.655 0.564 -2.170 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.029 1.454 -1.880 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.994 0.265 -4.594 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.736 1.476 -4.250 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.362 1.999 -4.752 1.00 0.00 H new ATOM 338 N ILE A 29 4.921 3.779 -2.779 1.00 0.00 N ATOM 339 CA ILE A 29 3.492 4.065 -2.736 1.00 0.00 C ATOM 340 C ILE A 29 2.681 2.896 -3.283 1.00 0.00 C ATOM 341 O ILE A 29 2.992 2.352 -4.343 1.00 0.00 O ATOM 342 CB ILE A 29 3.147 5.334 -3.537 1.00 0.00 C ATOM 343 CG1 ILE A 29 3.524 6.585 -2.740 1.00 0.00 C ATOM 344 CG2 ILE A 29 1.668 5.351 -3.891 1.00 0.00 C ATOM 345 CD1 ILE A 29 2.852 6.665 -1.388 1.00 0.00 C ATOM 0 H ILE A 29 5.438 4.314 -3.477 1.00 0.00 H new ATOM 0 HA ILE A 29 3.234 4.225 -1.689 1.00 0.00 H new ATOM 0 HB ILE A 29 3.722 5.329 -4.463 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.605 6.605 -2.601 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.260 7.469 -3.321 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.440 6.254 -4.457 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.428 4.475 -4.493 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.075 5.336 -2.977 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.165 7.577 -0.879 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.770 6.676 -1.520 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.135 5.800 -0.789 1.00 0.00 H new ATOM 357 N PHE A 30 1.637 2.514 -2.554 1.00 0.00 N ATOM 358 CA PHE A 30 0.779 1.409 -2.967 1.00 0.00 C ATOM 359 C PHE A 30 -0.693 1.768 -2.787 1.00 0.00 C ATOM 360 O PHE A 30 -1.066 2.450 -1.833 1.00 0.00 O ATOM 361 CB PHE A 30 1.111 0.150 -2.163 1.00 0.00 C ATOM 362 CG PHE A 30 2.202 -0.682 -2.776 1.00 0.00 C ATOM 363 CD1 PHE A 30 3.519 -0.253 -2.745 1.00 0.00 C ATOM 364 CD2 PHE A 30 1.909 -1.893 -3.383 1.00 0.00 C ATOM 365 CE1 PHE A 30 4.524 -1.016 -3.309 1.00 0.00 C ATOM 366 CE2 PHE A 30 2.910 -2.661 -3.948 1.00 0.00 C ATOM 367 CZ PHE A 30 4.219 -2.222 -3.910 1.00 0.00 C ATOM 0 H PHE A 30 1.365 2.953 -1.675 1.00 0.00 H new ATOM 0 HA PHE A 30 0.961 1.215 -4.024 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.409 0.440 -1.155 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.211 -0.458 -2.067 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.763 0.688 -2.275 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.887 -2.241 -3.415 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.547 -0.670 -3.280 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.669 -3.603 -4.418 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.003 -2.821 -4.350 1.00 0.00 H new ATOM 377 N VAL A 31 -1.526 1.302 -3.713 1.00 0.00 N ATOM 378 CA VAL A 31 -2.958 1.572 -3.657 1.00 0.00 C ATOM 379 C VAL A 31 -3.755 0.281 -3.513 1.00 0.00 C ATOM 380 O VAL A 31 -3.358 -0.766 -4.022 1.00 0.00 O ATOM 381 CB VAL A 31 -3.437 2.321 -4.916 1.00 0.00 C ATOM 382 CG1 VAL A 31 -4.929 2.112 -5.126 1.00 0.00 C ATOM 383 CG2 VAL A 31 -3.107 3.802 -4.812 1.00 0.00 C ATOM 0 H VAL A 31 -1.234 0.736 -4.510 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.128 2.200 -2.783 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.912 1.915 -5.781 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.249 2.648 -6.019 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.134 1.048 -5.248 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.475 2.490 -4.261 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.452 4.316 -5.709 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.603 4.225 -3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.029 3.928 -4.714 1.00 0.00 H new ATOM 393 N ALA A 32 -4.883 0.364 -2.815 1.00 0.00 N ATOM 394 CA ALA A 32 -5.739 -0.798 -2.605 1.00 0.00 C ATOM 395 C ALA A 32 -6.819 -0.884 -3.678 1.00 0.00 C ATOM 396 O ALA A 32 -7.742 -0.069 -3.712 1.00 0.00 O ATOM 397 CB ALA A 32 -6.369 -0.746 -1.222 1.00 0.00 C ATOM 0 H ALA A 32 -5.225 1.223 -2.385 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.120 -1.693 -2.676 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.005 -1.619 -1.079 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.585 -0.740 -0.465 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.969 0.159 -1.129 1.00 0.00 H new ATOM 403 N LEU A 33 -6.699 -1.876 -4.553 1.00 0.00 N ATOM 404 CA LEU A 33 -7.666 -2.069 -5.629 1.00 0.00 C ATOM 405 C LEU A 33 -8.938 -2.729 -5.105 1.00 0.00 C ATOM 406 O LEU A 33 -10.036 -2.449 -5.586 1.00 0.00 O ATOM 407 CB LEU A 33 -7.056 -2.923 -6.742 1.00 0.00 C ATOM 408 CG LEU A 33 -5.588 -2.648 -7.072 1.00 0.00 C ATOM 409 CD1 LEU A 33 -5.059 -3.681 -8.053 1.00 0.00 C ATOM 410 CD2 LEU A 33 -5.423 -1.243 -7.633 1.00 0.00 C ATOM 0 H LEU A 33 -5.942 -2.559 -4.539 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.926 -1.090 -6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.154 -3.972 -6.463 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.645 -2.778 -7.648 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.008 -2.721 -6.152 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.013 -3.469 -8.276 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.142 -4.675 -7.614 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.642 -3.641 -8.973 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.373 -1.064 -7.862 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.015 -1.142 -8.542 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.763 -0.515 -6.896 1.00 0.00 H new ATOM 422 N TYR A 34 -8.781 -3.603 -4.118 1.00 0.00 N ATOM 423 CA TYR A 34 -9.917 -4.302 -3.529 1.00 0.00 C ATOM 424 C TYR A 34 -10.079 -3.937 -2.057 1.00 0.00 C ATOM 425 O TYR A 34 -9.102 -3.638 -1.369 1.00 0.00 O ATOM 426 CB TYR A 34 -9.743 -5.815 -3.674 1.00 0.00 C ATOM 427 CG TYR A 34 -8.986 -6.220 -4.919 1.00 0.00 C ATOM 428 CD1 TYR A 34 -9.626 -6.299 -6.150 1.00 0.00 C ATOM 429 CD2 TYR A 34 -7.632 -6.526 -4.864 1.00 0.00 C ATOM 430 CE1 TYR A 34 -8.940 -6.670 -7.290 1.00 0.00 C ATOM 431 CE2 TYR A 34 -6.937 -6.896 -5.999 1.00 0.00 C ATOM 432 CZ TYR A 34 -7.595 -6.967 -7.209 1.00 0.00 C ATOM 433 OH TYR A 34 -6.907 -7.337 -8.342 1.00 0.00 O ATOM 0 H TYR A 34 -7.879 -3.845 -3.709 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.816 -3.993 -4.062 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.218 -6.198 -2.799 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.726 -6.286 -3.687 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.679 -6.066 -6.216 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.114 -6.474 -3.918 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.453 -6.727 -8.239 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.884 -7.128 -5.939 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.970 -7.511 -8.114 1.00 0.00 H new ATOM 443 N ASP A 35 -11.318 -3.963 -1.580 1.00 0.00 N ATOM 444 CA ASP A 35 -11.610 -3.636 -0.189 1.00 0.00 C ATOM 445 C ASP A 35 -11.330 -4.829 0.720 1.00 0.00 C ATOM 446 O ASP A 35 -11.850 -5.924 0.502 1.00 0.00 O ATOM 447 CB ASP A 35 -13.067 -3.197 -0.040 1.00 0.00 C ATOM 448 CG ASP A 35 -14.041 -4.239 -0.554 1.00 0.00 C ATOM 449 OD1 ASP A 35 -14.294 -5.224 0.171 1.00 0.00 O ATOM 450 OD2 ASP A 35 -14.551 -4.069 -1.681 1.00 0.00 O ATOM 0 H ASP A 35 -12.137 -4.207 -2.136 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.959 -2.814 0.109 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.277 -2.995 1.010 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.219 -2.263 -0.581 1.00 0.00 H new ATOM 455 N TYR A 36 -10.505 -4.610 1.737 1.00 0.00 N ATOM 456 CA TYR A 36 -10.153 -5.668 2.677 1.00 0.00 C ATOM 457 C TYR A 36 -10.495 -5.262 4.107 1.00 0.00 C ATOM 458 O TYR A 36 -10.809 -4.104 4.377 1.00 0.00 O ATOM 459 CB TYR A 36 -8.663 -5.999 2.571 1.00 0.00 C ATOM 460 CG TYR A 36 -8.204 -7.049 3.557 1.00 0.00 C ATOM 461 CD1 TYR A 36 -8.550 -8.385 3.389 1.00 0.00 C ATOM 462 CD2 TYR A 36 -7.427 -6.707 4.656 1.00 0.00 C ATOM 463 CE1 TYR A 36 -8.133 -9.349 4.287 1.00 0.00 C ATOM 464 CE2 TYR A 36 -7.005 -7.664 5.558 1.00 0.00 C ATOM 465 CZ TYR A 36 -7.361 -8.983 5.370 1.00 0.00 C ATOM 466 OH TYR A 36 -6.943 -9.939 6.267 1.00 0.00 O ATOM 0 H TYR A 36 -10.067 -3.710 1.932 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.734 -6.554 2.421 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.447 -6.343 1.560 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.085 -5.088 2.728 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.155 -8.674 2.542 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.148 -5.675 4.808 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.410 -10.383 4.142 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.399 -7.381 6.406 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.964 -9.980 6.269 1.00 0.00 H new ATOM 476 N GLU A 37 -10.430 -6.226 5.021 1.00 0.00 N ATOM 477 CA GLU A 37 -10.733 -5.970 6.424 1.00 0.00 C ATOM 478 C GLU A 37 -9.729 -6.672 7.334 1.00 0.00 C ATOM 479 O GLU A 37 -9.620 -7.897 7.327 1.00 0.00 O ATOM 480 CB GLU A 37 -12.152 -6.436 6.756 1.00 0.00 C ATOM 481 CG GLU A 37 -12.563 -6.161 8.192 1.00 0.00 C ATOM 482 CD GLU A 37 -13.772 -6.970 8.619 1.00 0.00 C ATOM 483 OE1 GLU A 37 -14.773 -6.978 7.872 1.00 0.00 O ATOM 484 OE2 GLU A 37 -13.718 -7.594 9.699 1.00 0.00 O ATOM 0 H GLU A 37 -10.170 -7.191 4.815 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.662 -4.896 6.594 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.854 -5.941 6.085 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.228 -7.506 6.564 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.727 -6.387 8.854 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.782 -5.099 8.306 1.00 0.00 H new ATOM 491 N ALA A 38 -8.997 -5.885 8.116 1.00 0.00 N ATOM 492 CA ALA A 38 -8.004 -6.429 9.033 1.00 0.00 C ATOM 493 C ALA A 38 -8.606 -7.523 9.909 1.00 0.00 C ATOM 494 O ALA A 38 -9.376 -7.242 10.827 1.00 0.00 O ATOM 495 CB ALA A 38 -7.419 -5.321 9.896 1.00 0.00 C ATOM 0 H ALA A 38 -9.074 -4.868 8.132 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.204 -6.874 8.441 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.679 -5.742 10.576 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.944 -4.576 9.258 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.215 -4.850 10.473 1.00 0.00 H new ATOM 501 N ARG A 39 -8.250 -8.770 9.618 1.00 0.00 N ATOM 502 CA ARG A 39 -8.758 -9.906 10.378 1.00 0.00 C ATOM 503 C ARG A 39 -8.268 -9.855 11.823 1.00 0.00 C ATOM 504 O ARG A 39 -9.039 -10.068 12.760 1.00 0.00 O ATOM 505 CB ARG A 39 -8.321 -11.219 9.727 1.00 0.00 C ATOM 506 CG ARG A 39 -9.165 -11.613 8.525 1.00 0.00 C ATOM 507 CD ARG A 39 -8.489 -12.696 7.700 1.00 0.00 C ATOM 508 NE ARG A 39 -8.859 -14.036 8.147 1.00 0.00 N ATOM 509 CZ ARG A 39 -8.266 -14.664 9.156 1.00 0.00 C ATOM 510 NH1 ARG A 39 -7.280 -14.076 9.820 1.00 0.00 N ATOM 511 NH2 ARG A 39 -8.659 -15.883 9.503 1.00 0.00 N ATOM 0 H ARG A 39 -7.612 -9.019 8.862 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.847 -9.853 10.378 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.280 -11.132 9.416 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.367 -12.016 10.469 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.139 -11.967 8.863 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.343 -10.737 7.901 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.761 -12.576 6.651 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.407 -12.578 7.764 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.614 -14.516 7.658 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.975 -13.139 9.556 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.827 -14.561 10.594 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.417 -16.338 8.995 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.203 -16.365 10.278 1.00 0.00 H new ATOM 525 N THR A 40 -6.981 -9.572 11.997 1.00 0.00 N ATOM 526 CA THR A 40 -6.388 -9.495 13.326 1.00 0.00 C ATOM 527 C THR A 40 -5.548 -8.232 13.481 1.00 0.00 C ATOM 528 O THR A 40 -4.998 -7.716 12.507 1.00 0.00 O ATOM 529 CB THR A 40 -5.506 -10.724 13.619 1.00 0.00 C ATOM 530 OG1 THR A 40 -4.322 -10.681 12.816 1.00 0.00 O ATOM 531 CG2 THR A 40 -6.266 -12.013 13.344 1.00 0.00 C ATOM 0 H THR A 40 -6.329 -9.392 11.233 1.00 0.00 H new ATOM 0 HA THR A 40 -7.212 -9.470 14.039 1.00 0.00 H new ATOM 0 HB THR A 40 -5.229 -10.702 14.673 1.00 0.00 H new ATOM 0 HG1 THR A 40 -3.767 -11.465 13.010 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.623 -12.867 13.558 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.151 -12.056 13.979 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.569 -12.040 12.297 1.00 0.00 H new ATOM 539 N THR A 41 -5.451 -7.739 14.711 1.00 0.00 N ATOM 540 CA THR A 41 -4.677 -6.536 14.994 1.00 0.00 C ATOM 541 C THR A 41 -3.360 -6.536 14.226 1.00 0.00 C ATOM 542 O THR A 41 -2.814 -5.479 13.913 1.00 0.00 O ATOM 543 CB THR A 41 -4.381 -6.400 16.499 1.00 0.00 C ATOM 544 OG1 THR A 41 -3.769 -5.132 16.765 1.00 0.00 O ATOM 545 CG2 THR A 41 -3.467 -7.519 16.974 1.00 0.00 C ATOM 0 H THR A 41 -5.899 -8.154 15.528 1.00 0.00 H new ATOM 0 HA THR A 41 -5.282 -5.688 14.672 1.00 0.00 H new ATOM 0 HB THR A 41 -5.325 -6.469 17.040 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.585 -5.052 17.724 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.272 -7.402 18.040 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.947 -8.481 16.797 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.526 -7.477 16.426 1.00 0.00 H new ATOM 553 N GLU A 42 -2.856 -7.729 13.925 1.00 0.00 N ATOM 554 CA GLU A 42 -1.602 -7.865 13.193 1.00 0.00 C ATOM 555 C GLU A 42 -1.743 -7.333 11.769 1.00 0.00 C ATOM 556 O GLU A 42 -0.862 -6.635 11.266 1.00 0.00 O ATOM 557 CB GLU A 42 -1.161 -9.329 13.160 1.00 0.00 C ATOM 558 CG GLU A 42 -1.195 -10.006 14.520 1.00 0.00 C ATOM 559 CD GLU A 42 -0.196 -11.141 14.633 1.00 0.00 C ATOM 560 OE1 GLU A 42 1.018 -10.876 14.507 1.00 0.00 O ATOM 561 OE2 GLU A 42 -0.627 -12.293 14.846 1.00 0.00 O ATOM 0 H GLU A 42 -3.296 -8.614 14.176 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.844 -7.276 13.710 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.806 -9.878 12.474 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.148 -9.386 12.761 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.989 -9.267 15.294 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.198 -10.390 14.705 1.00 0.00 H new ATOM 568 N ASP A 43 -2.856 -7.668 11.126 1.00 0.00 N ATOM 569 CA ASP A 43 -3.113 -7.224 9.761 1.00 0.00 C ATOM 570 C ASP A 43 -3.568 -5.768 9.739 1.00 0.00 C ATOM 571 O ASP A 43 -4.136 -5.270 10.712 1.00 0.00 O ATOM 572 CB ASP A 43 -4.171 -8.112 9.104 1.00 0.00 C ATOM 573 CG ASP A 43 -3.607 -9.443 8.646 1.00 0.00 C ATOM 574 OD1 ASP A 43 -2.392 -9.506 8.361 1.00 0.00 O ATOM 575 OD2 ASP A 43 -4.380 -10.421 8.572 1.00 0.00 O ATOM 0 H ASP A 43 -3.595 -8.245 11.528 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.183 -7.303 9.198 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -4.982 -8.288 9.810 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.600 -7.589 8.249 1.00 0.00 H new ATOM 580 N LEU A 44 -3.314 -5.091 8.625 1.00 0.00 N ATOM 581 CA LEU A 44 -3.697 -3.691 8.477 1.00 0.00 C ATOM 582 C LEU A 44 -5.048 -3.567 7.780 1.00 0.00 C ATOM 583 O LEU A 44 -5.289 -4.202 6.753 1.00 0.00 O ATOM 584 CB LEU A 44 -2.630 -2.932 7.686 1.00 0.00 C ATOM 585 CG LEU A 44 -2.468 -1.450 8.028 1.00 0.00 C ATOM 586 CD1 LEU A 44 -1.703 -0.729 6.930 1.00 0.00 C ATOM 587 CD2 LEU A 44 -3.828 -0.802 8.247 1.00 0.00 C ATOM 0 H LEU A 44 -2.845 -5.488 7.811 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.782 -3.255 9.472 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.671 -3.427 7.841 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.865 -3.016 6.625 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.896 -1.371 8.953 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.598 0.324 7.191 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.715 -1.176 6.821 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.247 -0.817 5.990 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.694 0.252 8.489 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.425 -0.893 7.339 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.341 -1.301 9.069 1.00 0.00 H new ATOM 599 N SER A 45 -5.925 -2.743 8.344 1.00 0.00 N ATOM 600 CA SER A 45 -7.253 -2.537 7.778 1.00 0.00 C ATOM 601 C SER A 45 -7.228 -1.436 6.722 1.00 0.00 C ATOM 602 O SER A 45 -6.955 -0.275 7.026 1.00 0.00 O ATOM 603 CB SER A 45 -8.251 -2.178 8.881 1.00 0.00 C ATOM 604 OG SER A 45 -7.673 -1.292 9.823 1.00 0.00 O ATOM 0 H SER A 45 -5.740 -2.207 9.192 1.00 0.00 H new ATOM 0 HA SER A 45 -7.566 -3.466 7.303 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.135 -1.718 8.440 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.582 -3.086 9.386 1.00 0.00 H new ATOM 0 HG SER A 45 -8.331 -1.077 10.516 1.00 0.00 H new ATOM 610 N PHE A 46 -7.515 -1.810 5.480 1.00 0.00 N ATOM 611 CA PHE A 46 -7.525 -0.856 4.377 1.00 0.00 C ATOM 612 C PHE A 46 -8.804 -0.988 3.555 1.00 0.00 C ATOM 613 O PHE A 46 -9.605 -1.897 3.773 1.00 0.00 O ATOM 614 CB PHE A 46 -6.304 -1.069 3.479 1.00 0.00 C ATOM 615 CG PHE A 46 -6.130 -2.493 3.032 1.00 0.00 C ATOM 616 CD1 PHE A 46 -5.531 -3.425 3.863 1.00 0.00 C ATOM 617 CD2 PHE A 46 -6.566 -2.898 1.781 1.00 0.00 C ATOM 618 CE1 PHE A 46 -5.369 -4.736 3.454 1.00 0.00 C ATOM 619 CE2 PHE A 46 -6.407 -4.207 1.366 1.00 0.00 C ATOM 620 CZ PHE A 46 -5.809 -5.127 2.204 1.00 0.00 C ATOM 0 H PHE A 46 -7.744 -2.767 5.212 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.487 0.149 4.798 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.393 -0.429 2.601 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.409 -0.753 4.015 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.187 -3.125 4.841 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -7.036 -2.183 1.122 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.899 -5.453 4.111 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.750 -4.510 0.388 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.685 -6.151 1.883 1.00 0.00 H new ATOM 630 N LYS A 47 -8.989 -0.074 2.609 1.00 0.00 N ATOM 631 CA LYS A 47 -10.169 -0.086 1.752 1.00 0.00 C ATOM 632 C LYS A 47 -9.797 0.240 0.309 1.00 0.00 C ATOM 633 O LYS A 47 -8.715 0.762 0.038 1.00 0.00 O ATOM 634 CB LYS A 47 -11.205 0.918 2.263 1.00 0.00 C ATOM 635 CG LYS A 47 -11.973 0.434 3.480 1.00 0.00 C ATOM 636 CD LYS A 47 -12.919 -0.702 3.128 1.00 0.00 C ATOM 637 CE LYS A 47 -13.683 -1.189 4.349 1.00 0.00 C ATOM 638 NZ LYS A 47 -14.480 -2.412 4.052 1.00 0.00 N ATOM 0 H LYS A 47 -8.336 0.686 2.416 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.598 -1.088 1.780 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.702 1.853 2.510 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.911 1.138 1.462 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.272 0.101 4.245 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.540 1.262 3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.623 -0.368 2.366 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.353 -1.528 2.698 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.982 -1.400 5.156 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.347 -0.399 4.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.986 -2.713 4.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.167 -2.204 3.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.844 -3.174 3.740 1.00 0.00 H new ATOM 652 N LYS A 48 -10.701 -0.070 -0.614 1.00 0.00 N ATOM 653 CA LYS A 48 -10.470 0.192 -2.030 1.00 0.00 C ATOM 654 C LYS A 48 -10.294 1.686 -2.285 1.00 0.00 C ATOM 655 O LYS A 48 -11.211 2.476 -2.063 1.00 0.00 O ATOM 656 CB LYS A 48 -11.635 -0.344 -2.865 1.00 0.00 C ATOM 657 CG LYS A 48 -11.592 0.093 -4.319 1.00 0.00 C ATOM 658 CD LYS A 48 -12.616 -0.655 -5.157 1.00 0.00 C ATOM 659 CE LYS A 48 -12.863 0.040 -6.487 1.00 0.00 C ATOM 660 NZ LYS A 48 -13.745 1.230 -6.336 1.00 0.00 N ATOM 0 H LYS A 48 -11.601 -0.503 -0.407 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.554 -0.320 -2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.632 -1.433 -2.821 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.573 -0.010 -2.421 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.781 1.165 -4.383 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.594 -0.080 -4.722 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.268 -1.672 -5.336 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.553 -0.731 -4.606 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.910 0.347 -6.919 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.318 -0.663 -7.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.944 1.636 -7.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.638 0.945 -5.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.270 1.941 -5.745 1.00 0.00 H new ATOM 674 N GLY A 49 -9.109 2.066 -2.753 1.00 0.00 N ATOM 675 CA GLY A 49 -8.835 3.464 -3.032 1.00 0.00 C ATOM 676 C GLY A 49 -8.104 4.149 -1.894 1.00 0.00 C ATOM 677 O GLY A 49 -8.236 5.358 -1.703 1.00 0.00 O ATOM 0 H GLY A 49 -8.334 1.431 -2.944 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.238 3.540 -3.941 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.774 3.984 -3.222 1.00 0.00 H new ATOM 681 N GLU A 50 -7.333 3.376 -1.136 1.00 0.00 N ATOM 682 CA GLU A 50 -6.582 3.917 -0.010 1.00 0.00 C ATOM 683 C GLU A 50 -5.091 3.627 -0.161 1.00 0.00 C ATOM 684 O GLU A 50 -4.694 2.503 -0.468 1.00 0.00 O ATOM 685 CB GLU A 50 -7.096 3.327 1.305 1.00 0.00 C ATOM 686 CG GLU A 50 -6.948 4.265 2.492 1.00 0.00 C ATOM 687 CD GLU A 50 -7.471 3.662 3.781 1.00 0.00 C ATOM 688 OE1 GLU A 50 -8.484 2.934 3.727 1.00 0.00 O ATOM 689 OE2 GLU A 50 -6.867 3.919 4.843 1.00 0.00 O ATOM 0 H GLU A 50 -7.212 2.374 -1.281 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.725 4.997 0.004 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.147 3.064 1.189 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.558 2.403 1.514 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.897 4.524 2.617 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.482 5.192 2.286 1.00 0.00 H new ATOM 696 N ARG A 51 -4.271 4.650 0.056 1.00 0.00 N ATOM 697 CA ARG A 51 -2.824 4.507 -0.058 1.00 0.00 C ATOM 698 C ARG A 51 -2.221 4.020 1.257 1.00 0.00 C ATOM 699 O ARG A 51 -2.866 4.070 2.304 1.00 0.00 O ATOM 700 CB ARG A 51 -2.189 5.839 -0.461 1.00 0.00 C ATOM 701 CG ARG A 51 -2.556 6.288 -1.866 1.00 0.00 C ATOM 702 CD ARG A 51 -1.486 7.190 -2.460 1.00 0.00 C ATOM 703 NE ARG A 51 -1.961 7.896 -3.646 1.00 0.00 N ATOM 704 CZ ARG A 51 -1.404 9.008 -4.113 1.00 0.00 C ATOM 705 NH1 ARG A 51 -0.356 9.538 -3.496 1.00 0.00 N ATOM 706 NH2 ARG A 51 -1.894 9.592 -5.199 1.00 0.00 N ATOM 0 H ARG A 51 -4.584 5.587 0.312 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.616 3.766 -0.830 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.496 6.607 0.249 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.105 5.752 -0.388 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.693 5.415 -2.504 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.508 6.818 -1.843 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.166 7.914 -1.711 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.612 6.593 -2.720 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.765 7.514 -4.144 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.024 9.092 -2.661 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.070 10.392 -3.856 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.699 9.187 -5.676 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.465 10.446 -5.556 1.00 0.00 H new ATOM 720 N PHE A 52 -0.980 3.550 1.194 1.00 0.00 N ATOM 721 CA PHE A 52 -0.289 3.053 2.378 1.00 0.00 C ATOM 722 C PHE A 52 1.221 3.034 2.160 1.00 0.00 C ATOM 723 O PHE A 52 1.700 2.605 1.110 1.00 0.00 O ATOM 724 CB PHE A 52 -0.783 1.649 2.731 1.00 0.00 C ATOM 725 CG PHE A 52 -2.272 1.566 2.916 1.00 0.00 C ATOM 726 CD1 PHE A 52 -3.106 1.335 1.835 1.00 0.00 C ATOM 727 CD2 PHE A 52 -2.836 1.720 4.172 1.00 0.00 C ATOM 728 CE1 PHE A 52 -4.476 1.257 2.002 1.00 0.00 C ATOM 729 CE2 PHE A 52 -4.205 1.643 4.346 1.00 0.00 C ATOM 730 CZ PHE A 52 -5.026 1.413 3.259 1.00 0.00 C ATOM 0 H PHE A 52 -0.432 3.503 0.335 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.509 3.727 3.206 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.484 0.958 1.943 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.292 1.319 3.647 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.681 1.214 0.850 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.199 1.902 5.025 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.115 1.074 1.151 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.632 1.763 5.331 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.096 1.355 3.392 1.00 0.00 H new ATOM 740 N GLN A 53 1.963 3.501 3.158 1.00 0.00 N ATOM 741 CA GLN A 53 3.418 3.539 3.074 1.00 0.00 C ATOM 742 C GLN A 53 4.019 2.183 3.431 1.00 0.00 C ATOM 743 O GLN A 53 3.919 1.729 4.571 1.00 0.00 O ATOM 744 CB GLN A 53 3.976 4.617 4.005 1.00 0.00 C ATOM 745 CG GLN A 53 4.025 5.999 3.373 1.00 0.00 C ATOM 746 CD GLN A 53 4.194 7.103 4.398 1.00 0.00 C ATOM 747 OE1 GLN A 53 3.994 6.891 5.595 1.00 0.00 O ATOM 748 NE2 GLN A 53 4.564 8.291 3.933 1.00 0.00 N ATOM 0 H GLN A 53 1.581 3.858 4.034 1.00 0.00 H new ATOM 0 HA GLN A 53 3.691 3.779 2.046 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.364 4.660 4.906 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.981 4.333 4.316 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.849 6.040 2.661 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.108 6.169 2.809 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.719 8.422 2.933 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.693 9.072 4.576 1.00 0.00 H new ATOM 757 N ILE A 54 4.643 1.541 2.449 1.00 0.00 N ATOM 758 CA ILE A 54 5.260 0.237 2.660 1.00 0.00 C ATOM 759 C ILE A 54 6.470 0.345 3.581 1.00 0.00 C ATOM 760 O ILE A 54 7.502 0.901 3.203 1.00 0.00 O ATOM 761 CB ILE A 54 5.697 -0.401 1.328 1.00 0.00 C ATOM 762 CG1 ILE A 54 4.519 -0.456 0.353 1.00 0.00 C ATOM 763 CG2 ILE A 54 6.259 -1.794 1.568 1.00 0.00 C ATOM 764 CD1 ILE A 54 3.324 -1.211 0.892 1.00 0.00 C ATOM 0 H ILE A 54 4.735 1.902 1.500 1.00 0.00 H new ATOM 0 HA ILE A 54 4.507 -0.398 3.127 1.00 0.00 H new ATOM 0 HB ILE A 54 6.481 0.215 0.887 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.215 0.561 0.106 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.847 -0.925 -0.575 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.564 -2.232 0.618 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.122 -1.729 2.231 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.495 -2.420 2.028 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.527 -1.210 0.148 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.612 -2.239 1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.970 -0.729 1.804 1.00 0.00 H new ATOM 776 N ILE A 55 6.338 -0.193 4.788 1.00 0.00 N ATOM 777 CA ILE A 55 7.422 -0.159 5.762 1.00 0.00 C ATOM 778 C ILE A 55 8.391 -1.317 5.545 1.00 0.00 C ATOM 779 O ILE A 55 9.598 -1.115 5.426 1.00 0.00 O ATOM 780 CB ILE A 55 6.885 -0.217 7.204 1.00 0.00 C ATOM 781 CG1 ILE A 55 5.836 0.875 7.425 1.00 0.00 C ATOM 782 CG2 ILE A 55 8.026 -0.072 8.200 1.00 0.00 C ATOM 783 CD1 ILE A 55 4.872 0.568 8.550 1.00 0.00 C ATOM 0 H ILE A 55 5.491 -0.658 5.115 1.00 0.00 H new ATOM 0 HA ILE A 55 7.948 0.785 5.617 1.00 0.00 H new ATOM 0 HB ILE A 55 6.412 -1.186 7.361 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.343 1.816 7.638 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.272 1.018 6.503 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.631 -0.115 9.215 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.741 -0.882 8.055 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.525 0.885 8.045 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.157 1.385 8.650 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.338 -0.357 8.330 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.425 0.454 9.482 1.00 0.00 H new ATOM 795 N ASN A 56 7.852 -2.531 5.494 1.00 0.00 N ATOM 796 CA ASN A 56 8.668 -3.722 5.290 1.00 0.00 C ATOM 797 C ASN A 56 8.074 -4.609 4.200 1.00 0.00 C ATOM 798 O ASN A 56 6.888 -4.934 4.228 1.00 0.00 O ATOM 799 CB ASN A 56 8.791 -4.511 6.595 1.00 0.00 C ATOM 800 CG ASN A 56 10.102 -5.267 6.693 1.00 0.00 C ATOM 801 OD1 ASN A 56 10.775 -5.497 5.688 1.00 0.00 O ATOM 802 ND2 ASN A 56 10.470 -5.659 7.907 1.00 0.00 N ATOM 0 H ASN A 56 6.854 -2.716 5.591 1.00 0.00 H new ATOM 0 HA ASN A 56 9.660 -3.402 4.972 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.705 -3.827 7.439 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.962 -5.215 6.670 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.342 -6.173 8.035 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.881 -5.446 8.712 1.00 0.00 H new ATOM 809 N ASN A 57 8.908 -4.997 3.241 1.00 0.00 N ATOM 810 CA ASN A 57 8.466 -5.847 2.141 1.00 0.00 C ATOM 811 C ASN A 57 9.259 -7.150 2.107 1.00 0.00 C ATOM 812 O ASN A 57 9.665 -7.615 1.042 1.00 0.00 O ATOM 813 CB ASN A 57 8.616 -5.111 0.808 1.00 0.00 C ATOM 814 CG ASN A 57 10.062 -4.785 0.487 1.00 0.00 C ATOM 815 OD1 ASN A 57 10.790 -5.615 -0.056 1.00 0.00 O ATOM 816 ND2 ASN A 57 10.484 -3.572 0.823 1.00 0.00 N ATOM 0 H ASN A 57 9.893 -4.737 3.203 1.00 0.00 H new ATOM 0 HA ASN A 57 7.415 -6.086 2.300 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.198 -5.724 0.009 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.036 -4.188 0.838 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.447 -3.296 0.632 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.845 -2.916 1.272 1.00 0.00 H new ATOM 823 N THR A 58 9.475 -7.735 3.281 1.00 0.00 N ATOM 824 CA THR A 58 10.219 -8.984 3.387 1.00 0.00 C ATOM 825 C THR A 58 9.298 -10.188 3.231 1.00 0.00 C ATOM 826 O THR A 58 9.695 -11.218 2.687 1.00 0.00 O ATOM 827 CB THR A 58 10.955 -9.086 4.736 1.00 0.00 C ATOM 828 OG1 THR A 58 11.776 -10.259 4.758 1.00 0.00 O ATOM 829 CG2 THR A 58 9.966 -9.132 5.891 1.00 0.00 C ATOM 0 H THR A 58 9.145 -7.364 4.172 1.00 0.00 H new ATOM 0 HA THR A 58 10.952 -8.985 2.580 1.00 0.00 H new ATOM 0 HB THR A 58 11.581 -8.201 4.850 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.242 -10.316 5.618 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.510 -9.204 6.833 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.362 -8.225 5.889 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.317 -10.000 5.780 1.00 0.00 H new ATOM 837 N GLU A 59 8.066 -10.051 3.711 1.00 0.00 N ATOM 838 CA GLU A 59 7.088 -11.129 3.624 1.00 0.00 C ATOM 839 C GLU A 59 6.146 -10.915 2.443 1.00 0.00 C ATOM 840 O GLU A 59 5.183 -10.155 2.533 1.00 0.00 O ATOM 841 CB GLU A 59 6.284 -11.224 4.922 1.00 0.00 C ATOM 842 CG GLU A 59 7.138 -11.495 6.149 1.00 0.00 C ATOM 843 CD GLU A 59 6.388 -12.256 7.225 1.00 0.00 C ATOM 844 OE1 GLU A 59 5.532 -11.645 7.898 1.00 0.00 O ATOM 845 OE2 GLU A 59 6.657 -13.464 7.394 1.00 0.00 O ATOM 0 H GLU A 59 7.722 -9.204 4.164 1.00 0.00 H new ATOM 0 HA GLU A 59 7.628 -12.063 3.471 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.737 -10.293 5.069 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.543 -12.017 4.823 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.020 -12.064 5.855 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.491 -10.548 6.558 1.00 0.00 H new ATOM 852 N GLY A 60 6.432 -11.592 1.335 1.00 0.00 N ATOM 853 CA GLY A 60 5.602 -11.463 0.151 1.00 0.00 C ATOM 854 C GLY A 60 4.128 -11.648 0.453 1.00 0.00 C ATOM 855 O GLY A 60 3.288 -10.890 -0.031 1.00 0.00 O ATOM 0 H GLY A 60 7.224 -12.228 1.236 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.758 -10.480 -0.293 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.913 -12.200 -0.589 1.00 0.00 H new ATOM 859 N ASP A 61 3.813 -12.659 1.255 1.00 0.00 N ATOM 860 CA ASP A 61 2.430 -12.942 1.621 1.00 0.00 C ATOM 861 C ASP A 61 1.740 -11.689 2.149 1.00 0.00 C ATOM 862 O ASP A 61 0.656 -11.326 1.692 1.00 0.00 O ATOM 863 CB ASP A 61 2.375 -14.051 2.673 1.00 0.00 C ATOM 864 CG ASP A 61 3.248 -15.237 2.311 1.00 0.00 C ATOM 865 OD1 ASP A 61 2.819 -16.055 1.470 1.00 0.00 O ATOM 866 OD2 ASP A 61 4.360 -15.346 2.867 1.00 0.00 O ATOM 0 H ASP A 61 4.496 -13.296 1.664 1.00 0.00 H new ATOM 0 HA ASP A 61 1.904 -13.274 0.726 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.692 -13.650 3.636 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.344 -14.385 2.791 1.00 0.00 H new ATOM 871 N TRP A 62 2.374 -11.032 3.113 1.00 0.00 N ATOM 872 CA TRP A 62 1.820 -9.819 3.704 1.00 0.00 C ATOM 873 C TRP A 62 2.914 -8.786 3.953 1.00 0.00 C ATOM 874 O TRP A 62 3.959 -9.101 4.521 1.00 0.00 O ATOM 875 CB TRP A 62 1.104 -10.147 5.015 1.00 0.00 C ATOM 876 CG TRP A 62 -0.013 -11.133 4.851 1.00 0.00 C ATOM 877 CD1 TRP A 62 0.104 -12.471 4.606 1.00 0.00 C ATOM 878 CD2 TRP A 62 -1.416 -10.857 4.920 1.00 0.00 C ATOM 879 NE1 TRP A 62 -1.142 -13.043 4.517 1.00 0.00 N ATOM 880 CE2 TRP A 62 -2.091 -12.075 4.707 1.00 0.00 C ATOM 881 CE3 TRP A 62 -2.168 -9.700 5.142 1.00 0.00 C ATOM 882 CZ2 TRP A 62 -3.481 -12.165 4.709 1.00 0.00 C ATOM 883 CZ3 TRP A 62 -3.547 -9.792 5.144 1.00 0.00 C ATOM 884 CH2 TRP A 62 -4.192 -11.017 4.929 1.00 0.00 C ATOM 0 H TRP A 62 3.272 -11.319 3.502 1.00 0.00 H new ATOM 0 HA TRP A 62 1.101 -9.398 3.001 1.00 0.00 H new ATOM 0 HB2 TRP A 62 1.828 -10.544 5.727 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.707 -9.227 5.444 1.00 0.00 H new ATOM 0 HD1 TRP A 62 1.038 -13.002 4.498 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -1.330 -14.030 4.338 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -1.680 -8.751 5.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -3.980 -13.108 4.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.138 -8.904 5.314 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.271 -11.056 4.937 1.00 0.00 H new ATOM 895 N TRP A 63 2.666 -7.554 3.523 1.00 0.00 N ATOM 896 CA TRP A 63 3.631 -6.475 3.700 1.00 0.00 C ATOM 897 C TRP A 63 3.196 -5.533 4.817 1.00 0.00 C ATOM 898 O TRP A 63 2.008 -5.255 4.978 1.00 0.00 O ATOM 899 CB TRP A 63 3.800 -5.695 2.395 1.00 0.00 C ATOM 900 CG TRP A 63 4.492 -6.478 1.320 1.00 0.00 C ATOM 901 CD1 TRP A 63 5.341 -7.533 1.493 1.00 0.00 C ATOM 902 CD2 TRP A 63 4.395 -6.264 -0.092 1.00 0.00 C ATOM 903 NE1 TRP A 63 5.778 -7.989 0.273 1.00 0.00 N ATOM 904 CE2 TRP A 63 5.212 -7.228 -0.715 1.00 0.00 C ATOM 905 CE3 TRP A 63 3.697 -5.355 -0.891 1.00 0.00 C ATOM 906 CZ2 TRP A 63 5.348 -7.305 -2.099 1.00 0.00 C ATOM 907 CZ3 TRP A 63 3.834 -5.432 -2.264 1.00 0.00 C ATOM 908 CH2 TRP A 63 4.653 -6.402 -2.857 1.00 0.00 C ATOM 0 H TRP A 63 1.806 -7.278 3.050 1.00 0.00 H new ATOM 0 HA TRP A 63 4.588 -6.919 3.976 1.00 0.00 H new ATOM 0 HB2 TRP A 63 2.819 -5.386 2.035 1.00 0.00 H new ATOM 0 HB3 TRP A 63 4.367 -4.786 2.594 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.627 -7.948 2.448 1.00 0.00 H new ATOM 0 HE1 TRP A 63 6.420 -8.768 0.127 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.061 -4.605 -0.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 5.980 -8.051 -2.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 3.301 -4.733 -2.891 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.737 -6.438 -3.933 1.00 0.00 H new ATOM 919 N GLU A 64 4.165 -5.045 5.586 1.00 0.00 N ATOM 920 CA GLU A 64 3.880 -4.135 6.688 1.00 0.00 C ATOM 921 C GLU A 64 3.893 -2.685 6.213 1.00 0.00 C ATOM 922 O GLU A 64 4.934 -2.159 5.821 1.00 0.00 O ATOM 923 CB GLU A 64 4.900 -4.324 7.813 1.00 0.00 C ATOM 924 CG GLU A 64 4.573 -3.536 9.070 1.00 0.00 C ATOM 925 CD GLU A 64 5.377 -3.994 10.271 1.00 0.00 C ATOM 926 OE1 GLU A 64 6.623 -3.938 10.209 1.00 0.00 O ATOM 927 OE2 GLU A 64 4.759 -4.410 11.274 1.00 0.00 O ATOM 0 H GLU A 64 5.154 -5.265 5.465 1.00 0.00 H new ATOM 0 HA GLU A 64 2.885 -4.366 7.068 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.960 -5.383 8.064 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.885 -4.026 7.453 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.765 -2.478 8.891 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.510 -3.635 9.290 1.00 0.00 H new ATOM 934 N ALA A 65 2.729 -2.045 6.252 1.00 0.00 N ATOM 935 CA ALA A 65 2.606 -0.656 5.828 1.00 0.00 C ATOM 936 C ALA A 65 1.914 0.185 6.895 1.00 0.00 C ATOM 937 O ALA A 65 1.319 -0.349 7.831 1.00 0.00 O ATOM 938 CB ALA A 65 1.847 -0.571 4.512 1.00 0.00 C ATOM 0 H ALA A 65 1.857 -2.467 6.573 1.00 0.00 H new ATOM 0 HA ALA A 65 3.610 -0.257 5.683 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.763 0.472 4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.384 -1.131 3.746 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.850 -0.994 4.639 1.00 0.00 H new ATOM 944 N ARG A 66 1.997 1.504 6.749 1.00 0.00 N ATOM 945 CA ARG A 66 1.380 2.418 7.702 1.00 0.00 C ATOM 946 C ARG A 66 0.477 3.420 6.988 1.00 0.00 C ATOM 947 O ARG A 66 0.955 4.376 6.377 1.00 0.00 O ATOM 948 CB ARG A 66 2.455 3.162 8.497 1.00 0.00 C ATOM 949 CG ARG A 66 1.894 4.170 9.486 1.00 0.00 C ATOM 950 CD ARG A 66 2.881 5.295 9.757 1.00 0.00 C ATOM 951 NE ARG A 66 2.739 5.835 11.106 1.00 0.00 N ATOM 952 CZ ARG A 66 3.694 6.516 11.729 1.00 0.00 C ATOM 953 NH1 ARG A 66 4.854 6.739 11.127 1.00 0.00 N ATOM 954 NH2 ARG A 66 3.489 6.976 12.957 1.00 0.00 N ATOM 0 H ARG A 66 2.485 1.963 5.980 1.00 0.00 H new ATOM 0 HA ARG A 66 0.771 1.830 8.389 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.063 2.436 9.037 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.117 3.678 7.802 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.965 4.586 9.096 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.649 3.666 10.421 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.897 4.926 9.619 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.730 6.093 9.030 1.00 0.00 H new ATOM 0 HE ARG A 66 1.858 5.681 11.597 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.015 6.387 10.183 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.586 7.262 11.608 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.598 6.807 13.423 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.223 7.499 13.435 1.00 0.00 H new ATOM 968 N SER A 67 -0.830 3.194 7.071 1.00 0.00 N ATOM 969 CA SER A 67 -1.800 4.073 6.429 1.00 0.00 C ATOM 970 C SER A 67 -1.393 5.535 6.584 1.00 0.00 C ATOM 971 O SER A 67 -0.861 5.937 7.619 1.00 0.00 O ATOM 972 CB SER A 67 -3.192 3.854 7.025 1.00 0.00 C ATOM 973 OG SER A 67 -3.350 2.519 7.473 1.00 0.00 O ATOM 0 H SER A 67 -1.242 2.410 7.577 1.00 0.00 H new ATOM 0 HA SER A 67 -1.825 3.831 5.367 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.347 4.541 7.857 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.951 4.082 6.277 1.00 0.00 H new ATOM 0 HG SER A 67 -3.291 1.908 6.709 1.00 0.00 H new ATOM 979 N ILE A 68 -1.647 6.326 5.546 1.00 0.00 N ATOM 980 CA ILE A 68 -1.308 7.744 5.567 1.00 0.00 C ATOM 981 C ILE A 68 -2.490 8.585 6.036 1.00 0.00 C ATOM 982 O ILE A 68 -2.417 9.258 7.064 1.00 0.00 O ATOM 983 CB ILE A 68 -0.862 8.236 4.177 1.00 0.00 C ATOM 984 CG1 ILE A 68 0.113 7.239 3.548 1.00 0.00 C ATOM 985 CG2 ILE A 68 -0.226 9.614 4.283 1.00 0.00 C ATOM 986 CD1 ILE A 68 0.342 7.469 2.070 1.00 0.00 C ATOM 0 H ILE A 68 -2.086 6.009 4.681 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.481 7.861 6.268 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.739 8.311 3.535 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.068 7.299 4.069 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.268 6.228 3.696 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.084 9.949 3.293 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.950 10.318 4.694 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.644 9.564 4.938 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.044 6.726 1.691 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.605 7.380 1.537 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.752 8.467 1.916 1.00 0.00 H new ATOM 998 N ALA A 69 -3.580 8.539 5.277 1.00 0.00 N ATOM 999 CA ALA A 69 -4.780 9.294 5.618 1.00 0.00 C ATOM 1000 C ALA A 69 -5.108 9.164 7.102 1.00 0.00 C ATOM 1001 O ALA A 69 -5.066 10.145 7.845 1.00 0.00 O ATOM 1002 CB ALA A 69 -5.956 8.825 4.773 1.00 0.00 C ATOM 0 H ALA A 69 -3.657 7.987 4.423 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.590 10.346 5.406 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.845 9.397 5.038 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.729 8.976 3.718 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.137 7.766 4.958 1.00 0.00 H new ATOM 1008 N THR A 70 -5.434 7.948 7.527 1.00 0.00 N ATOM 1009 CA THR A 70 -5.771 7.691 8.922 1.00 0.00 C ATOM 1010 C THR A 70 -4.519 7.647 9.790 1.00 0.00 C ATOM 1011 O THR A 70 -4.389 8.408 10.748 1.00 0.00 O ATOM 1012 CB THR A 70 -6.538 6.365 9.079 1.00 0.00 C ATOM 1013 OG1 THR A 70 -5.675 5.261 8.783 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.750 6.328 8.161 1.00 0.00 C ATOM 0 H THR A 70 -5.472 7.125 6.925 1.00 0.00 H new ATOM 0 HA THR A 70 -6.409 8.512 9.250 1.00 0.00 H new ATOM 0 HB THR A 70 -6.882 6.290 10.111 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.117 4.662 8.146 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.275 5.382 8.290 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.420 7.152 8.409 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.425 6.424 7.125 1.00 0.00 H new ATOM 1022 N GLY A 71 -3.599 6.750 9.449 1.00 0.00 N ATOM 1023 CA GLY A 71 -2.368 6.624 10.208 1.00 0.00 C ATOM 1024 C GLY A 71 -2.235 5.270 10.876 1.00 0.00 C ATOM 1025 O GLY A 71 -1.410 5.089 11.772 1.00 0.00 O ATOM 0 H GLY A 71 -3.684 6.108 8.661 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.518 6.784 9.545 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.331 7.405 10.967 1.00 0.00 H new ATOM 1029 N LYS A 72 -3.051 4.315 10.442 1.00 0.00 N ATOM 1030 CA LYS A 72 -3.022 2.970 11.004 1.00 0.00 C ATOM 1031 C LYS A 72 -1.753 2.233 10.587 1.00 0.00 C ATOM 1032 O LYS A 72 -0.956 2.746 9.802 1.00 0.00 O ATOM 1033 CB LYS A 72 -4.254 2.181 10.555 1.00 0.00 C ATOM 1034 CG LYS A 72 -5.548 2.662 11.188 1.00 0.00 C ATOM 1035 CD LYS A 72 -6.723 1.782 10.793 1.00 0.00 C ATOM 1036 CE LYS A 72 -7.412 2.301 9.541 1.00 0.00 C ATOM 1037 NZ LYS A 72 -8.829 1.848 9.459 1.00 0.00 N ATOM 0 H LYS A 72 -3.741 4.448 9.702 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.030 3.057 12.091 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.343 2.248 9.471 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.110 1.128 10.798 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.444 2.666 12.273 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.743 3.690 10.883 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.375 0.763 10.622 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.440 1.740 11.613 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.378 3.390 9.533 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.870 1.959 8.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.264 2.223 8.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.861 0.809 9.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.353 2.196 10.287 1.00 0.00 H new ATOM 1051 N SER A 73 -1.574 1.027 11.117 1.00 0.00 N ATOM 1052 CA SER A 73 -0.401 0.221 10.801 1.00 0.00 C ATOM 1053 C SER A 73 -0.695 -1.264 10.990 1.00 0.00 C ATOM 1054 O SER A 73 -1.419 -1.653 11.906 1.00 0.00 O ATOM 1055 CB SER A 73 0.781 0.635 11.680 1.00 0.00 C ATOM 1056 OG SER A 73 0.407 0.685 13.046 1.00 0.00 O ATOM 0 H SER A 73 -2.226 0.587 11.767 1.00 0.00 H new ATOM 0 HA SER A 73 -0.144 0.392 9.756 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.600 -0.072 11.550 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.149 1.611 11.364 1.00 0.00 H new ATOM 0 HG SER A 73 1.180 0.950 13.587 1.00 0.00 H new ATOM 1062 N GLY A 74 -0.127 -2.090 10.117 1.00 0.00 N ATOM 1063 CA GLY A 74 -0.340 -3.523 10.204 1.00 0.00 C ATOM 1064 C GLY A 74 0.270 -4.272 9.036 1.00 0.00 C ATOM 1065 O GLY A 74 1.362 -3.937 8.576 1.00 0.00 O ATOM 0 H GLY A 74 0.477 -1.792 9.351 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.089 -3.895 11.134 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.410 -3.726 10.243 1.00 0.00 H new ATOM 1069 N TYR A 75 -0.436 -5.290 8.555 1.00 0.00 N ATOM 1070 CA TYR A 75 0.044 -6.091 7.436 1.00 0.00 C ATOM 1071 C TYR A 75 -1.019 -6.199 6.347 1.00 0.00 C ATOM 1072 O TYR A 75 -2.124 -6.684 6.589 1.00 0.00 O ATOM 1073 CB TYR A 75 0.442 -7.488 7.915 1.00 0.00 C ATOM 1074 CG TYR A 75 1.458 -7.478 9.035 1.00 0.00 C ATOM 1075 CD1 TYR A 75 2.619 -6.720 8.938 1.00 0.00 C ATOM 1076 CD2 TYR A 75 1.258 -8.225 10.188 1.00 0.00 C ATOM 1077 CE1 TYR A 75 3.551 -6.708 9.958 1.00 0.00 C ATOM 1078 CE2 TYR A 75 2.183 -8.217 11.214 1.00 0.00 C ATOM 1079 CZ TYR A 75 3.328 -7.458 11.094 1.00 0.00 C ATOM 1080 OH TYR A 75 4.253 -7.449 12.113 1.00 0.00 O ATOM 0 H TYR A 75 -1.342 -5.579 8.923 1.00 0.00 H new ATOM 0 HA TYR A 75 0.919 -5.595 7.017 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.451 -8.016 8.250 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.847 -8.050 7.073 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.796 -6.131 8.050 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.364 -8.823 10.285 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.449 -6.115 9.866 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.010 -8.802 12.105 1.00 0.00 H new ATOM 0 HH TYR A 75 4.683 -6.569 12.157 1.00 0.00 H new ATOM 1090 N ILE A 76 -0.676 -5.742 5.147 1.00 0.00 N ATOM 1091 CA ILE A 76 -1.600 -5.788 4.020 1.00 0.00 C ATOM 1092 C ILE A 76 -1.121 -6.770 2.956 1.00 0.00 C ATOM 1093 O ILE A 76 0.070 -6.867 2.657 1.00 0.00 O ATOM 1094 CB ILE A 76 -1.775 -4.399 3.379 1.00 0.00 C ATOM 1095 CG1 ILE A 76 -0.413 -3.810 3.006 1.00 0.00 C ATOM 1096 CG2 ILE A 76 -2.519 -3.469 4.325 1.00 0.00 C ATOM 1097 CD1 ILE A 76 -0.506 -2.565 2.152 1.00 0.00 C ATOM 0 H ILE A 76 0.234 -5.336 4.930 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.561 -6.122 4.413 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.365 -4.507 2.469 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.134 -3.574 3.919 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.166 -4.564 2.473 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.635 -2.491 3.858 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.502 -3.885 4.545 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.954 -3.364 5.251 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.497 -2.203 1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.025 -2.799 1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.057 -1.794 2.691 1.00 0.00 H new ATOM 1109 N PRO A 77 -2.069 -7.516 2.369 1.00 0.00 N ATOM 1110 CA PRO A 77 -1.768 -8.502 1.328 1.00 0.00 C ATOM 1111 C PRO A 77 -1.333 -7.850 0.020 1.00 0.00 C ATOM 1112 O PRO A 77 -2.102 -7.121 -0.607 1.00 0.00 O ATOM 1113 CB PRO A 77 -3.097 -9.238 1.142 1.00 0.00 C ATOM 1114 CG PRO A 77 -4.135 -8.262 1.576 1.00 0.00 C ATOM 1115 CD PRO A 77 -3.507 -7.452 2.677 1.00 0.00 C ATOM 0 HA PRO A 77 -0.940 -9.153 1.610 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.243 -9.535 0.104 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.133 -10.147 1.742 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.441 -7.623 0.747 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.029 -8.775 1.930 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.872 -6.425 2.679 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.727 -7.870 3.659 1.00 0.00 H new ATOM 1123 N SER A 78 -0.095 -8.116 -0.386 1.00 0.00 N ATOM 1124 CA SER A 78 0.443 -7.552 -1.618 1.00 0.00 C ATOM 1125 C SER A 78 -0.333 -8.057 -2.831 1.00 0.00 C ATOM 1126 O SER A 78 -0.120 -7.598 -3.953 1.00 0.00 O ATOM 1127 CB SER A 78 1.924 -7.908 -1.763 1.00 0.00 C ATOM 1128 OG SER A 78 2.093 -9.290 -2.026 1.00 0.00 O ATOM 0 H SER A 78 0.554 -8.718 0.121 1.00 0.00 H new ATOM 0 HA SER A 78 0.340 -6.468 -1.567 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.364 -7.324 -2.572 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.457 -7.641 -0.850 1.00 0.00 H new ATOM 0 HG SER A 78 2.503 -9.723 -1.249 1.00 0.00 H new ATOM 1134 N ASN A 79 -1.235 -9.004 -2.597 1.00 0.00 N ATOM 1135 CA ASN A 79 -2.044 -9.572 -3.669 1.00 0.00 C ATOM 1136 C ASN A 79 -3.299 -8.738 -3.904 1.00 0.00 C ATOM 1137 O ASN A 79 -4.101 -9.039 -4.789 1.00 0.00 O ATOM 1138 CB ASN A 79 -2.431 -11.014 -3.335 1.00 0.00 C ATOM 1139 CG ASN A 79 -1.221 -11.907 -3.139 1.00 0.00 C ATOM 1140 OD1 ASN A 79 -0.263 -11.851 -3.910 1.00 0.00 O ATOM 1141 ND2 ASN A 79 -1.261 -12.738 -2.104 1.00 0.00 N ATOM 0 H ASN A 79 -1.424 -9.395 -1.674 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.449 -9.565 -4.582 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.037 -11.024 -2.429 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.050 -11.416 -4.137 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.477 -13.364 -1.922 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.076 -12.750 -1.491 1.00 0.00 H new ATOM 1148 N TYR A 80 -3.463 -7.688 -3.107 1.00 0.00 N ATOM 1149 CA TYR A 80 -4.622 -6.811 -3.226 1.00 0.00 C ATOM 1150 C TYR A 80 -4.192 -5.380 -3.535 1.00 0.00 C ATOM 1151 O TYR A 80 -4.879 -4.654 -4.254 1.00 0.00 O ATOM 1152 CB TYR A 80 -5.446 -6.841 -1.938 1.00 0.00 C ATOM 1153 CG TYR A 80 -6.508 -7.917 -1.924 1.00 0.00 C ATOM 1154 CD1 TYR A 80 -6.224 -9.207 -2.355 1.00 0.00 C ATOM 1155 CD2 TYR A 80 -7.795 -7.644 -1.478 1.00 0.00 C ATOM 1156 CE1 TYR A 80 -7.192 -10.193 -2.344 1.00 0.00 C ATOM 1157 CE2 TYR A 80 -8.769 -8.624 -1.462 1.00 0.00 C ATOM 1158 CZ TYR A 80 -8.463 -9.897 -1.897 1.00 0.00 C ATOM 1159 OH TYR A 80 -9.429 -10.876 -1.883 1.00 0.00 O ATOM 0 H TYR A 80 -2.808 -7.423 -2.371 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.237 -7.173 -4.050 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -4.776 -6.992 -1.091 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.922 -5.870 -1.798 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.230 -9.443 -2.705 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -8.039 -6.648 -1.138 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -6.955 -11.190 -2.684 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -9.764 -8.395 -1.111 1.00 0.00 H new ATOM 0 HH TYR A 80 -10.267 -10.503 -1.539 1.00 0.00 H new ATOM 1169 N VAL A 81 -3.049 -4.981 -2.987 1.00 0.00 N ATOM 1170 CA VAL A 81 -2.525 -3.638 -3.204 1.00 0.00 C ATOM 1171 C VAL A 81 -1.399 -3.647 -4.232 1.00 0.00 C ATOM 1172 O VAL A 81 -0.548 -4.536 -4.229 1.00 0.00 O ATOM 1173 CB VAL A 81 -2.003 -3.020 -1.893 1.00 0.00 C ATOM 1174 CG1 VAL A 81 -3.120 -2.926 -0.865 1.00 0.00 C ATOM 1175 CG2 VAL A 81 -0.835 -3.831 -1.351 1.00 0.00 C ATOM 0 H VAL A 81 -2.468 -5.569 -2.389 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.351 -3.033 -3.579 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.649 -2.011 -2.103 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.732 -2.487 0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.922 -2.300 -1.256 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.507 -3.923 -0.656 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.478 -3.381 -0.425 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.161 -4.853 -1.156 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.028 -3.841 -2.084 1.00 0.00 H new ATOM 1185 N VAL A 82 -1.401 -2.650 -5.111 1.00 0.00 N ATOM 1186 CA VAL A 82 -0.379 -2.541 -6.145 1.00 0.00 C ATOM 1187 C VAL A 82 0.270 -1.162 -6.134 1.00 0.00 C ATOM 1188 O VAL A 82 -0.332 -0.168 -5.726 1.00 0.00 O ATOM 1189 CB VAL A 82 -0.965 -2.809 -7.544 1.00 0.00 C ATOM 1190 CG1 VAL A 82 -1.996 -3.925 -7.486 1.00 0.00 C ATOM 1191 CG2 VAL A 82 -1.573 -1.539 -8.119 1.00 0.00 C ATOM 0 H VAL A 82 -2.099 -1.906 -5.128 1.00 0.00 H new ATOM 0 HA VAL A 82 0.376 -3.296 -5.924 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.157 -3.128 -8.203 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.399 -4.100 -8.483 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.525 -4.837 -7.120 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.804 -3.639 -6.813 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.982 -1.747 -9.108 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.370 -1.188 -7.463 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.804 -0.771 -8.199 1.00 0.00 H new ATOM 1201 N PRO A 83 1.529 -1.096 -6.593 1.00 0.00 N ATOM 1202 CA PRO A 83 2.287 0.157 -6.647 1.00 0.00 C ATOM 1203 C PRO A 83 1.748 1.116 -7.703 1.00 0.00 C ATOM 1204 O PRO A 83 1.515 0.727 -8.847 1.00 0.00 O ATOM 1205 CB PRO A 83 3.702 -0.300 -7.011 1.00 0.00 C ATOM 1206 CG PRO A 83 3.510 -1.593 -7.725 1.00 0.00 C ATOM 1207 CD PRO A 83 2.308 -2.240 -7.094 1.00 0.00 C ATOM 0 HA PRO A 83 2.231 0.708 -5.708 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.204 0.431 -7.645 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.318 -0.427 -6.121 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.351 -1.430 -8.791 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.391 -2.227 -7.627 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.741 -2.826 -7.817 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.592 -2.916 -6.288 1.00 0.00 H new ATOM 1215 N ALA A 84 1.553 2.371 -7.312 1.00 0.00 N ATOM 1216 CA ALA A 84 1.044 3.386 -8.226 1.00 0.00 C ATOM 1217 C ALA A 84 1.988 3.583 -9.408 1.00 0.00 C ATOM 1218 O ALA A 84 1.666 4.295 -10.359 1.00 0.00 O ATOM 1219 CB ALA A 84 0.834 4.701 -7.491 1.00 0.00 C ATOM 0 H ALA A 84 1.740 2.709 -6.368 1.00 0.00 H new ATOM 0 HA ALA A 84 0.085 3.042 -8.614 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.454 5.450 -8.186 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.115 4.556 -6.684 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.782 5.041 -7.075 1.00 0.00 H new ATOM 1225 N ASP A 85 3.154 2.950 -9.340 1.00 0.00 N ATOM 1226 CA ASP A 85 4.144 3.056 -10.405 1.00 0.00 C ATOM 1227 C ASP A 85 4.000 1.907 -11.398 1.00 0.00 C ATOM 1228 O ASP A 85 4.091 2.105 -12.609 1.00 0.00 O ATOM 1229 CB ASP A 85 5.556 3.064 -9.818 1.00 0.00 C ATOM 1230 CG ASP A 85 5.803 4.260 -8.919 1.00 0.00 C ATOM 1231 OD1 ASP A 85 5.390 5.378 -9.292 1.00 0.00 O ATOM 1232 OD2 ASP A 85 6.408 4.078 -7.842 1.00 0.00 O ATOM 0 H ASP A 85 3.437 2.358 -8.559 1.00 0.00 H new ATOM 0 HA ASP A 85 3.973 3.993 -10.934 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.715 2.147 -9.250 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.284 3.067 -10.630 1.00 0.00 H new ATOM 1237 N SER A 86 3.775 0.705 -10.876 1.00 0.00 N ATOM 1238 CA SER A 86 3.623 -0.477 -11.717 1.00 0.00 C ATOM 1239 C SER A 86 2.179 -0.969 -11.706 1.00 0.00 C ATOM 1240 O SER A 86 1.916 -2.160 -11.875 1.00 0.00 O ATOM 1241 CB SER A 86 4.557 -1.591 -11.240 1.00 0.00 C ATOM 1242 OG SER A 86 5.805 -1.530 -11.908 1.00 0.00 O ATOM 0 H SER A 86 3.694 0.524 -9.875 1.00 0.00 H new ATOM 0 HA SER A 86 3.887 -0.203 -12.738 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.712 -1.505 -10.165 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.092 -2.561 -11.418 1.00 0.00 H new ATOM 0 HG SER A 86 6.385 -2.251 -11.585 1.00 0.00 H new ATOM 1248 N ILE A 87 1.247 -0.043 -11.505 1.00 0.00 N ATOM 1249 CA ILE A 87 -0.171 -0.382 -11.473 1.00 0.00 C ATOM 1250 C ILE A 87 -0.515 -1.408 -12.547 1.00 0.00 C ATOM 1251 O ILE A 87 -0.616 -1.074 -13.727 1.00 0.00 O ATOM 1252 CB ILE A 87 -1.052 0.866 -11.669 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -0.375 2.096 -11.060 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -2.424 0.648 -11.048 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -1.339 3.214 -10.729 1.00 0.00 C ATOM 0 H ILE A 87 1.448 0.947 -11.362 1.00 0.00 H new ATOM 0 HA ILE A 87 -0.372 -0.808 -10.490 1.00 0.00 H new ATOM 0 HB ILE A 87 -1.181 1.038 -12.738 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.150 1.799 -10.152 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.376 2.469 -11.756 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.035 1.538 -11.194 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.907 -0.206 -11.523 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.314 0.455 -9.981 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.790 4.053 -10.301 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.846 3.538 -11.638 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.076 2.858 -10.009 1.00 0.00 H new ATOM 1267 N GLN A 88 -0.697 -2.656 -12.129 1.00 0.00 N ATOM 1268 CA GLN A 88 -1.032 -3.731 -13.056 1.00 0.00 C ATOM 1269 C GLN A 88 -2.510 -3.686 -13.430 1.00 0.00 C ATOM 1270 O GLN A 88 -2.901 -4.132 -14.508 1.00 0.00 O ATOM 1271 CB GLN A 88 -0.690 -5.089 -12.440 1.00 0.00 C ATOM 1272 CG GLN A 88 -1.414 -5.363 -11.131 1.00 0.00 C ATOM 1273 CD GLN A 88 -0.719 -6.415 -10.290 1.00 0.00 C ATOM 1274 OE1 GLN A 88 -1.230 -7.521 -10.111 1.00 0.00 O ATOM 1275 NE2 GLN A 88 0.454 -6.076 -9.767 1.00 0.00 N ATOM 0 H GLN A 88 -0.618 -2.948 -11.155 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.443 -3.593 -13.962 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.937 -5.875 -13.154 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.385 -5.141 -12.269 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.488 -4.437 -10.560 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.432 -5.688 -11.344 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.841 -5.148 -9.941 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.968 -6.743 -9.192 1.00 0.00 H new ATOM 1284 N ALA A 89 -3.326 -3.146 -12.531 1.00 0.00 N ATOM 1285 CA ALA A 89 -4.761 -3.042 -12.768 1.00 0.00 C ATOM 1286 C ALA A 89 -5.186 -1.587 -12.933 1.00 0.00 C ATOM 1287 O ALA A 89 -6.335 -1.233 -12.671 1.00 0.00 O ATOM 1288 CB ALA A 89 -5.532 -3.693 -11.629 1.00 0.00 C ATOM 0 H ALA A 89 -3.018 -2.774 -11.632 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.990 -3.568 -13.695 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.602 -3.608 -11.819 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.258 -4.746 -11.559 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.289 -3.192 -10.692 1.00 0.00 H new ATOM 1294 N GLU A 90 -4.251 -0.748 -13.369 1.00 0.00 N ATOM 1295 CA GLU A 90 -4.530 0.669 -13.568 1.00 0.00 C ATOM 1296 C GLU A 90 -5.951 0.877 -14.082 1.00 0.00 C ATOM 1297 O GLU A 90 -6.566 1.914 -13.834 1.00 0.00 O ATOM 1298 CB GLU A 90 -3.526 1.277 -14.550 1.00 0.00 C ATOM 1299 CG GLU A 90 -3.164 0.352 -15.700 1.00 0.00 C ATOM 1300 CD GLU A 90 -4.018 0.591 -16.931 1.00 0.00 C ATOM 1301 OE1 GLU A 90 -5.256 0.474 -16.826 1.00 0.00 O ATOM 1302 OE2 GLU A 90 -3.446 0.894 -17.999 1.00 0.00 O ATOM 0 H GLU A 90 -3.295 -1.025 -13.591 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.434 1.170 -12.605 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.940 2.201 -14.954 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.618 1.544 -14.010 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.114 0.492 -15.958 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.278 -0.683 -15.379 1.00 0.00 H new ATOM 1309 N GLU A 91 -6.466 -0.116 -14.801 1.00 0.00 N ATOM 1310 CA GLU A 91 -7.814 -0.041 -15.351 1.00 0.00 C ATOM 1311 C GLU A 91 -8.769 0.621 -14.363 1.00 0.00 C ATOM 1312 O GLU A 91 -9.726 1.286 -14.760 1.00 0.00 O ATOM 1313 CB GLU A 91 -8.321 -1.440 -15.708 1.00 0.00 C ATOM 1314 CG GLU A 91 -7.604 -2.063 -16.894 1.00 0.00 C ATOM 1315 CD GLU A 91 -8.487 -3.020 -17.672 1.00 0.00 C ATOM 1316 OE1 GLU A 91 -9.172 -2.566 -18.611 1.00 0.00 O ATOM 1317 OE2 GLU A 91 -8.491 -4.225 -17.341 1.00 0.00 O ATOM 0 H GLU A 91 -5.970 -0.981 -15.016 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.777 0.566 -16.255 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.206 -2.091 -14.842 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.388 -1.386 -15.926 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.256 -1.273 -17.559 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.720 -2.595 -16.541 1.00 0.00 H new ATOM 1324 N TRP A 92 -8.503 0.434 -13.076 1.00 0.00 N ATOM 1325 CA TRP A 92 -9.339 1.013 -12.030 1.00 0.00 C ATOM 1326 C TRP A 92 -9.326 2.536 -12.103 1.00 0.00 C ATOM 1327 O TRP A 92 -10.375 3.178 -12.049 1.00 0.00 O ATOM 1328 CB TRP A 92 -8.860 0.552 -10.652 1.00 0.00 C ATOM 1329 CG TRP A 92 -7.488 1.046 -10.305 1.00 0.00 C ATOM 1330 CD1 TRP A 92 -6.329 0.323 -10.317 1.00 0.00 C ATOM 1331 CD2 TRP A 92 -7.133 2.370 -9.891 1.00 0.00 C ATOM 1332 NE1 TRP A 92 -5.275 1.118 -9.936 1.00 0.00 N ATOM 1333 CE2 TRP A 92 -5.742 2.378 -9.671 1.00 0.00 C ATOM 1334 CE3 TRP A 92 -7.854 3.549 -9.689 1.00 0.00 C ATOM 1335 CZ2 TRP A 92 -5.061 3.520 -9.256 1.00 0.00 C ATOM 1336 CZ3 TRP A 92 -7.177 4.682 -9.277 1.00 0.00 C ATOM 1337 CH2 TRP A 92 -5.792 4.661 -9.065 1.00 0.00 C ATOM 0 H TRP A 92 -7.715 -0.114 -12.731 1.00 0.00 H new ATOM 0 HA TRP A 92 -10.362 0.669 -12.185 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -9.565 0.897 -9.896 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -8.865 -0.537 -10.619 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -6.252 -0.720 -10.586 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -4.303 0.818 -9.862 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -8.921 3.575 -9.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -3.994 3.506 -9.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -7.725 5.599 -9.116 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -5.292 5.563 -8.745 1.00 0.00 H new ATOM 1348 N TYR A 93 -8.133 3.108 -12.228 1.00 0.00 N ATOM 1349 CA TYR A 93 -7.985 4.556 -12.306 1.00 0.00 C ATOM 1350 C TYR A 93 -8.343 5.065 -13.699 1.00 0.00 C ATOM 1351 O TYR A 93 -8.846 6.178 -13.855 1.00 0.00 O ATOM 1352 CB TYR A 93 -6.552 4.963 -11.955 1.00 0.00 C ATOM 1353 CG TYR A 93 -5.654 5.119 -13.162 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -5.907 6.093 -14.119 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -4.552 4.292 -13.344 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -5.090 6.239 -15.223 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -3.729 4.432 -14.444 1.00 0.00 C ATOM 1358 CZ TYR A 93 -4.002 5.406 -15.381 1.00 0.00 C ATOM 1359 OH TYR A 93 -3.184 5.549 -16.479 1.00 0.00 O ATOM 0 H TYR A 93 -7.255 2.591 -12.277 1.00 0.00 H new ATOM 0 HA TYR A 93 -8.670 5.005 -11.587 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.575 5.904 -11.405 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -6.124 4.215 -11.288 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.757 6.748 -13.998 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.336 3.527 -12.613 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.302 7.001 -15.958 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.876 3.782 -14.570 1.00 0.00 H new ATOM 0 HH TYR A 93 -2.919 4.664 -16.807 1.00 0.00 H new ATOM 1369 N PHE A 94 -8.080 4.242 -14.709 1.00 0.00 N ATOM 1370 CA PHE A 94 -8.374 4.608 -16.090 1.00 0.00 C ATOM 1371 C PHE A 94 -9.866 4.865 -16.278 1.00 0.00 C ATOM 1372 O PHE A 94 -10.265 5.857 -16.888 1.00 0.00 O ATOM 1373 CB PHE A 94 -7.911 3.503 -17.042 1.00 0.00 C ATOM 1374 CG PHE A 94 -6.502 3.685 -17.529 1.00 0.00 C ATOM 1375 CD1 PHE A 94 -6.239 4.427 -18.669 1.00 0.00 C ATOM 1376 CD2 PHE A 94 -5.440 3.111 -16.849 1.00 0.00 C ATOM 1377 CE1 PHE A 94 -4.944 4.596 -19.121 1.00 0.00 C ATOM 1378 CE2 PHE A 94 -4.143 3.277 -17.295 1.00 0.00 C ATOM 1379 CZ PHE A 94 -3.894 4.019 -18.433 1.00 0.00 C ATOM 0 H PHE A 94 -7.664 3.317 -14.597 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.833 5.526 -16.320 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.991 2.541 -16.536 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.582 3.468 -17.900 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -7.056 4.879 -19.211 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.628 2.527 -15.960 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.753 5.178 -20.010 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.324 2.827 -16.754 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.881 4.148 -18.784 1.00 0.00 H new