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 67 SER OG : rot -160:sc= 0.951 USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= 0.899 USER MOD Set 2.1: A 45 SER OG : rot -179:sc= 0.452 USER MOD Set 2.2: A 72 LYS NZ :NH3+ -160:sc= 0.445 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 32:sc= 0.241 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 109:sc= 0.673 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.407 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.662 K(o=-0.66,f=-1.5) USER MOD Single : A 56 ASN : amide:sc= -0.147 K(o=-0.15,f=-2.4) USER MOD Single : A 57 ASN : amide:sc= -1.23 X(o=-1.2,f=-1.7!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -105:sc= 0.77 USER MOD Single : A 79 ASN : amide:sc= -1.01! X(o=-1!,f=-1.1) 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= -4.43! C(o=-4.4!,f=-6.2!) USER MOD Single : A 93 TYR OH : rot -105:sc= -0.874! USER MOD ----------------------------------------------------------------- ATOM 324 N THR A 28 7.822 2.811 -0.917 1.00 0.00 N ATOM 325 CA THR A 28 7.076 2.734 -2.167 1.00 0.00 C ATOM 326 C THR A 28 5.584 2.935 -1.930 1.00 0.00 C ATOM 327 O THR A 28 5.008 2.355 -1.009 1.00 0.00 O ATOM 328 CB THR A 28 7.295 1.381 -2.869 1.00 0.00 C ATOM 329 OG1 THR A 28 8.689 1.052 -2.876 1.00 0.00 O ATOM 330 CG2 THR A 28 6.772 1.421 -4.297 1.00 0.00 C ATOM 0 HA THR A 28 7.450 3.532 -2.808 1.00 0.00 H new ATOM 0 HB THR A 28 6.745 0.618 -2.318 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.114 1.410 -2.069 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.938 0.454 -4.772 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.705 1.642 -4.288 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.298 2.195 -4.856 1.00 0.00 H new ATOM 338 N ILE A 29 4.962 3.760 -2.767 1.00 0.00 N ATOM 339 CA ILE A 29 3.536 4.035 -2.649 1.00 0.00 C ATOM 340 C ILE A 29 2.706 2.874 -3.185 1.00 0.00 C ATOM 341 O ILE A 29 3.035 2.284 -4.214 1.00 0.00 O ATOM 342 CB ILE A 29 3.146 5.320 -3.403 1.00 0.00 C ATOM 343 CG1 ILE A 29 3.597 6.554 -2.618 1.00 0.00 C ATOM 344 CG2 ILE A 29 1.645 5.359 -3.644 1.00 0.00 C ATOM 345 CD1 ILE A 29 2.941 6.680 -1.260 1.00 0.00 C ATOM 0 H ILE A 29 5.424 4.249 -3.534 1.00 0.00 H new ATOM 0 HA ILE A 29 3.328 4.168 -1.587 1.00 0.00 H new ATOM 0 HB ILE A 29 3.649 5.323 -4.370 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.679 6.516 -2.488 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.377 7.447 -3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.386 6.273 -4.178 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.350 4.495 -4.239 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.122 5.337 -2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.308 7.577 -0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.860 6.750 -1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.182 5.805 -0.657 1.00 0.00 H new ATOM 357 N PHE A 30 1.626 2.551 -2.481 1.00 0.00 N ATOM 358 CA PHE A 30 0.747 1.460 -2.886 1.00 0.00 C ATOM 359 C PHE A 30 -0.716 1.825 -2.652 1.00 0.00 C ATOM 360 O PHE A 30 -1.049 2.515 -1.688 1.00 0.00 O ATOM 361 CB PHE A 30 1.095 0.184 -2.117 1.00 0.00 C ATOM 362 CG PHE A 30 2.186 -0.624 -2.759 1.00 0.00 C ATOM 363 CD1 PHE A 30 3.488 -0.151 -2.792 1.00 0.00 C ATOM 364 CD2 PHE A 30 1.911 -1.856 -3.328 1.00 0.00 C ATOM 365 CE1 PHE A 30 4.494 -0.892 -3.383 1.00 0.00 C ATOM 366 CE2 PHE A 30 2.913 -2.602 -3.920 1.00 0.00 C ATOM 367 CZ PHE A 30 4.206 -2.119 -3.946 1.00 0.00 C ATOM 0 H PHE A 30 1.338 3.029 -1.627 1.00 0.00 H new ATOM 0 HA PHE A 30 0.894 1.285 -3.952 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.399 0.451 -1.105 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.201 -0.433 -2.029 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.719 0.807 -2.351 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.901 -2.239 -3.309 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.504 -0.511 -3.404 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.685 -3.561 -4.361 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.991 -2.700 -4.406 1.00 0.00 H new ATOM 377 N VAL A 31 -1.586 1.358 -3.541 1.00 0.00 N ATOM 378 CA VAL A 31 -3.014 1.634 -3.433 1.00 0.00 C ATOM 379 C VAL A 31 -3.819 0.342 -3.355 1.00 0.00 C ATOM 380 O VAL A 31 -3.449 -0.669 -3.950 1.00 0.00 O ATOM 381 CB VAL A 31 -3.516 2.468 -4.626 1.00 0.00 C ATOM 382 CG1 VAL A 31 -5.013 2.277 -4.819 1.00 0.00 C ATOM 383 CG2 VAL A 31 -3.180 3.938 -4.428 1.00 0.00 C ATOM 0 H VAL A 31 -1.327 0.786 -4.345 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.158 2.204 -2.515 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.010 2.121 -5.527 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.350 2.874 -5.666 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.224 1.225 -5.010 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.539 2.595 -3.919 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.542 4.512 -5.281 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.657 4.301 -3.517 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.100 4.056 -4.344 1.00 0.00 H new ATOM 393 N ALA A 32 -4.923 0.383 -2.616 1.00 0.00 N ATOM 394 CA ALA A 32 -5.783 -0.784 -2.462 1.00 0.00 C ATOM 395 C ALA A 32 -6.907 -0.777 -3.492 1.00 0.00 C ATOM 396 O ALA A 32 -7.737 0.133 -3.515 1.00 0.00 O ATOM 397 CB ALA A 32 -6.355 -0.835 -1.053 1.00 0.00 C ATOM 0 H ALA A 32 -5.243 1.212 -2.115 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.178 -1.675 -2.629 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.995 -1.711 -0.952 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.540 -0.896 -0.332 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.940 0.065 -0.865 1.00 0.00 H new ATOM 403 N LEU A 33 -6.930 -1.797 -4.343 1.00 0.00 N ATOM 404 CA LEU A 33 -7.953 -1.908 -5.377 1.00 0.00 C ATOM 405 C LEU A 33 -9.210 -2.576 -4.829 1.00 0.00 C ATOM 406 O LEU A 33 -10.324 -2.264 -5.250 1.00 0.00 O ATOM 407 CB LEU A 33 -7.417 -2.704 -6.569 1.00 0.00 C ATOM 408 CG LEU A 33 -5.942 -2.491 -6.910 1.00 0.00 C ATOM 409 CD1 LEU A 33 -5.459 -3.557 -7.881 1.00 0.00 C ATOM 410 CD2 LEU A 33 -5.724 -1.101 -7.489 1.00 0.00 C ATOM 0 H LEU A 33 -6.252 -2.559 -4.337 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.212 -0.902 -5.707 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.574 -3.765 -6.372 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.012 -2.451 -7.446 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.361 -2.576 -5.992 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.407 -3.389 -8.112 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.579 -4.542 -7.429 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.045 -3.505 -8.799 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.669 -0.967 -7.726 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.317 -0.988 -8.397 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.030 -0.351 -6.760 1.00 0.00 H new ATOM 422 N TYR A 34 -9.024 -3.494 -3.887 1.00 0.00 N ATOM 423 CA TYR A 34 -10.143 -4.205 -3.282 1.00 0.00 C ATOM 424 C TYR A 34 -10.268 -3.863 -1.800 1.00 0.00 C ATOM 425 O TYR A 34 -9.289 -3.494 -1.152 1.00 0.00 O ATOM 426 CB TYR A 34 -9.968 -5.715 -3.455 1.00 0.00 C ATOM 427 CG TYR A 34 -9.246 -6.099 -4.726 1.00 0.00 C ATOM 428 CD1 TYR A 34 -9.877 -6.009 -5.961 1.00 0.00 C ATOM 429 CD2 TYR A 34 -7.934 -6.554 -4.693 1.00 0.00 C ATOM 430 CE1 TYR A 34 -9.221 -6.359 -7.125 1.00 0.00 C ATOM 431 CE2 TYR A 34 -7.270 -6.905 -5.852 1.00 0.00 C ATOM 432 CZ TYR A 34 -7.918 -6.806 -7.066 1.00 0.00 C ATOM 433 OH TYR A 34 -7.260 -7.157 -8.223 1.00 0.00 O ATOM 0 H TYR A 34 -8.109 -3.763 -3.526 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.056 -3.891 -3.787 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.417 -6.109 -2.601 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.949 -6.189 -3.447 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.898 -5.659 -6.011 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.424 -6.635 -3.744 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.726 -6.283 -8.077 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.249 -7.255 -5.808 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.350 -7.449 -8.006 1.00 0.00 H new ATOM 443 N ASP A 35 -11.480 -3.989 -1.271 1.00 0.00 N ATOM 444 CA ASP A 35 -11.736 -3.695 0.134 1.00 0.00 C ATOM 445 C ASP A 35 -11.396 -4.897 1.011 1.00 0.00 C ATOM 446 O ASP A 35 -11.970 -5.975 0.854 1.00 0.00 O ATOM 447 CB ASP A 35 -13.199 -3.299 0.336 1.00 0.00 C ATOM 448 CG ASP A 35 -14.152 -4.185 -0.441 1.00 0.00 C ATOM 449 OD1 ASP A 35 -14.058 -5.423 -0.302 1.00 0.00 O ATOM 450 OD2 ASP A 35 -14.993 -3.642 -1.187 1.00 0.00 O ATOM 0 H ASP A 35 -12.301 -4.293 -1.794 1.00 0.00 H new ATOM 0 HA ASP A 35 -11.098 -2.861 0.427 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.443 -3.351 1.397 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.338 -2.263 0.027 1.00 0.00 H new ATOM 455 N TYR A 36 -10.459 -4.703 1.932 1.00 0.00 N ATOM 456 CA TYR A 36 -10.039 -5.772 2.832 1.00 0.00 C ATOM 457 C TYR A 36 -10.275 -5.382 4.288 1.00 0.00 C ATOM 458 O TYR A 36 -10.409 -4.202 4.611 1.00 0.00 O ATOM 459 CB TYR A 36 -8.561 -6.100 2.613 1.00 0.00 C ATOM 460 CG TYR A 36 -8.023 -7.137 3.573 1.00 0.00 C ATOM 461 CD1 TYR A 36 -8.304 -8.487 3.397 1.00 0.00 C ATOM 462 CD2 TYR A 36 -7.235 -6.768 4.655 1.00 0.00 C ATOM 463 CE1 TYR A 36 -7.815 -9.438 4.272 1.00 0.00 C ATOM 464 CE2 TYR A 36 -6.740 -7.712 5.534 1.00 0.00 C ATOM 465 CZ TYR A 36 -7.033 -9.045 5.338 1.00 0.00 C ATOM 466 OH TYR A 36 -6.544 -9.989 6.213 1.00 0.00 O ATOM 0 H TYR A 36 -9.976 -3.816 2.076 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.637 -6.656 2.610 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.424 -6.456 1.592 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.976 -5.186 2.713 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.915 -8.798 2.562 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.005 -5.725 4.812 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.044 -10.483 4.122 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.127 -7.408 6.370 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.577 -10.082 6.087 1.00 0.00 H new ATOM 476 N GLU A 37 -10.324 -6.383 5.161 1.00 0.00 N ATOM 477 CA GLU A 37 -10.544 -6.145 6.583 1.00 0.00 C ATOM 478 C GLU A 37 -9.501 -6.876 7.424 1.00 0.00 C ATOM 479 O GLU A 37 -9.376 -8.098 7.353 1.00 0.00 O ATOM 480 CB GLU A 37 -11.949 -6.597 6.987 1.00 0.00 C ATOM 481 CG GLU A 37 -12.496 -5.869 8.203 1.00 0.00 C ATOM 482 CD GLU A 37 -13.894 -6.323 8.575 1.00 0.00 C ATOM 483 OE1 GLU A 37 -14.231 -7.494 8.300 1.00 0.00 O ATOM 484 OE2 GLU A 37 -14.652 -5.507 9.140 1.00 0.00 O ATOM 0 H GLU A 37 -10.215 -7.365 4.909 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.448 -5.075 6.766 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.626 -6.444 6.147 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.932 -7.667 7.192 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.828 -6.031 9.049 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.507 -4.797 8.006 1.00 0.00 H new ATOM 491 N ALA A 38 -8.754 -6.117 8.220 1.00 0.00 N ATOM 492 CA ALA A 38 -7.723 -6.691 9.075 1.00 0.00 C ATOM 493 C ALA A 38 -8.299 -7.780 9.974 1.00 0.00 C ATOM 494 O ALA A 38 -9.095 -7.500 10.871 1.00 0.00 O ATOM 495 CB ALA A 38 -7.068 -5.604 9.914 1.00 0.00 C ATOM 0 H ALA A 38 -8.844 -5.103 8.290 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.967 -7.146 8.435 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.300 -6.047 10.548 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.613 -4.862 9.258 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.821 -5.123 10.538 1.00 0.00 H new ATOM 501 N ARG A 39 -7.893 -9.021 9.727 1.00 0.00 N ATOM 502 CA ARG A 39 -8.371 -10.152 10.514 1.00 0.00 C ATOM 503 C ARG A 39 -8.068 -9.951 11.996 1.00 0.00 C ATOM 504 O ARG A 39 -8.700 -10.561 12.859 1.00 0.00 O ATOM 505 CB ARG A 39 -7.728 -11.450 10.022 1.00 0.00 C ATOM 506 CG ARG A 39 -7.894 -11.684 8.530 1.00 0.00 C ATOM 507 CD ARG A 39 -7.940 -13.168 8.201 1.00 0.00 C ATOM 508 NE ARG A 39 -9.061 -13.839 8.853 1.00 0.00 N ATOM 509 CZ ARG A 39 -9.339 -15.128 8.695 1.00 0.00 C ATOM 510 NH1 ARG A 39 -8.581 -15.882 7.910 1.00 0.00 N ATOM 511 NH2 ARG A 39 -10.377 -15.666 9.322 1.00 0.00 N ATOM 0 H ARG A 39 -7.235 -9.269 8.989 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.452 -10.219 10.388 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.665 -11.433 10.262 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.164 -12.290 10.564 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.810 -11.205 8.185 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.069 -11.217 7.993 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.018 -13.298 7.122 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.006 -13.637 8.512 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.664 -13.287 9.463 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.782 -15.472 7.426 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.797 -16.872 7.791 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.963 -15.090 9.926 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.589 -16.656 9.200 1.00 0.00 H new ATOM 525 N THR A 40 -7.096 -9.091 12.284 1.00 0.00 N ATOM 526 CA THR A 40 -6.707 -8.810 13.660 1.00 0.00 C ATOM 527 C THR A 40 -5.718 -7.652 13.727 1.00 0.00 C ATOM 528 O THR A 40 -5.116 -7.276 12.720 1.00 0.00 O ATOM 529 CB THR A 40 -6.078 -10.047 14.330 1.00 0.00 C ATOM 530 OG1 THR A 40 -5.392 -9.660 15.526 1.00 0.00 O ATOM 531 CG2 THR A 40 -5.108 -10.739 13.384 1.00 0.00 C ATOM 0 H THR A 40 -6.564 -8.577 11.582 1.00 0.00 H new ATOM 0 HA THR A 40 -7.617 -8.538 14.196 1.00 0.00 H new ATOM 0 HB THR A 40 -6.877 -10.745 14.580 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.996 -10.452 15.947 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.676 -11.609 13.878 1.00 0.00 H new ATOM 0 HG22 THR A 40 -5.639 -11.057 12.487 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.313 -10.047 13.108 1.00 0.00 H new ATOM 539 N THR A 41 -5.553 -7.088 14.920 1.00 0.00 N ATOM 540 CA THR A 41 -4.637 -5.972 15.118 1.00 0.00 C ATOM 541 C THR A 41 -3.372 -6.145 14.286 1.00 0.00 C ATOM 542 O THR A 41 -2.926 -5.212 13.618 1.00 0.00 O ATOM 543 CB THR A 41 -4.247 -5.822 16.600 1.00 0.00 C ATOM 544 OG1 THR A 41 -5.424 -5.710 17.408 1.00 0.00 O ATOM 545 CG2 THR A 41 -3.365 -4.600 16.807 1.00 0.00 C ATOM 0 H THR A 41 -6.042 -7.386 15.764 1.00 0.00 H new ATOM 0 HA THR A 41 -5.160 -5.072 14.795 1.00 0.00 H new ATOM 0 HB THR A 41 -3.687 -6.709 16.896 1.00 0.00 H new ATOM 0 HG1 THR A 41 -5.167 -5.617 18.349 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.103 -4.515 17.862 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.456 -4.703 16.214 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.903 -3.705 16.494 1.00 0.00 H new ATOM 553 N GLU A 42 -2.799 -7.344 14.330 1.00 0.00 N ATOM 554 CA GLU A 42 -1.584 -7.637 13.578 1.00 0.00 C ATOM 555 C GLU A 42 -1.733 -7.218 12.119 1.00 0.00 C ATOM 556 O GLU A 42 -0.819 -6.638 11.532 1.00 0.00 O ATOM 557 CB GLU A 42 -1.255 -9.129 13.661 1.00 0.00 C ATOM 558 CG GLU A 42 -1.278 -9.680 15.077 1.00 0.00 C ATOM 559 CD GLU A 42 -0.780 -11.110 15.155 1.00 0.00 C ATOM 560 OE1 GLU A 42 0.334 -11.377 14.658 1.00 0.00 O ATOM 561 OE2 GLU A 42 -1.504 -11.961 15.713 1.00 0.00 O ATOM 0 H GLU A 42 -3.156 -8.127 14.878 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.767 -7.067 14.020 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.969 -9.684 13.053 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.268 -9.299 13.230 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.662 -9.049 15.718 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.295 -9.632 15.465 1.00 0.00 H new ATOM 568 N ASP A 43 -2.890 -7.517 11.538 1.00 0.00 N ATOM 569 CA ASP A 43 -3.159 -7.172 10.147 1.00 0.00 C ATOM 570 C ASP A 43 -3.573 -5.709 10.021 1.00 0.00 C ATOM 571 O ASP A 43 -4.088 -5.114 10.969 1.00 0.00 O ATOM 572 CB ASP A 43 -4.255 -8.075 9.578 1.00 0.00 C ATOM 573 CG ASP A 43 -3.734 -9.446 9.196 1.00 0.00 C ATOM 574 OD1 ASP A 43 -2.861 -9.971 9.918 1.00 0.00 O ATOM 575 OD2 ASP A 43 -4.198 -9.994 8.174 1.00 0.00 O ATOM 0 H ASP A 43 -3.657 -7.998 12.009 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.242 -7.323 9.577 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.051 -8.184 10.315 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.695 -7.599 8.701 1.00 0.00 H new ATOM 580 N LEU A 44 -3.342 -5.134 8.846 1.00 0.00 N ATOM 581 CA LEU A 44 -3.690 -3.739 8.595 1.00 0.00 C ATOM 582 C LEU A 44 -5.037 -3.632 7.888 1.00 0.00 C ATOM 583 O LEU A 44 -5.260 -4.266 6.857 1.00 0.00 O ATOM 584 CB LEU A 44 -2.604 -3.066 7.753 1.00 0.00 C ATOM 585 CG LEU A 44 -2.410 -1.567 7.982 1.00 0.00 C ATOM 586 CD1 LEU A 44 -1.789 -0.915 6.756 1.00 0.00 C ATOM 587 CD2 LEU A 44 -3.736 -0.904 8.327 1.00 0.00 C ATOM 0 H LEU A 44 -2.915 -5.612 8.052 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.764 -3.230 9.556 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.657 -3.569 7.949 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.838 -3.225 6.700 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.730 -1.433 8.823 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.659 0.152 6.938 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.819 -1.370 6.554 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.444 -1.059 5.896 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.579 0.163 8.487 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.439 -1.048 7.507 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.141 -1.351 9.235 1.00 0.00 H new ATOM 599 N SER A 45 -5.931 -2.824 8.449 1.00 0.00 N ATOM 600 CA SER A 45 -7.257 -2.635 7.873 1.00 0.00 C ATOM 601 C SER A 45 -7.235 -1.547 6.804 1.00 0.00 C ATOM 602 O SER A 45 -7.040 -0.369 7.103 1.00 0.00 O ATOM 603 CB SER A 45 -8.264 -2.270 8.966 1.00 0.00 C ATOM 604 OG SER A 45 -7.678 -1.418 9.936 1.00 0.00 O ATOM 0 H SER A 45 -5.761 -2.290 9.301 1.00 0.00 H new ATOM 0 HA SER A 45 -7.560 -3.573 7.407 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.128 -1.778 8.519 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.628 -3.178 9.447 1.00 0.00 H new ATOM 0 HG SER A 45 -8.337 -1.211 10.631 1.00 0.00 H new ATOM 610 N PHE A 46 -7.437 -1.951 5.554 1.00 0.00 N ATOM 611 CA PHE A 46 -7.439 -1.012 4.438 1.00 0.00 C ATOM 612 C PHE A 46 -8.688 -1.190 3.580 1.00 0.00 C ATOM 613 O PHE A 46 -9.287 -2.266 3.549 1.00 0.00 O ATOM 614 CB PHE A 46 -6.186 -1.204 3.580 1.00 0.00 C ATOM 615 CG PHE A 46 -6.021 -2.605 3.064 1.00 0.00 C ATOM 616 CD1 PHE A 46 -5.431 -3.581 3.850 1.00 0.00 C ATOM 617 CD2 PHE A 46 -6.457 -2.945 1.794 1.00 0.00 C ATOM 618 CE1 PHE A 46 -5.277 -4.871 3.378 1.00 0.00 C ATOM 619 CE2 PHE A 46 -6.306 -4.234 1.316 1.00 0.00 C ATOM 620 CZ PHE A 46 -5.717 -5.198 2.110 1.00 0.00 C ATOM 0 H PHE A 46 -7.601 -2.922 5.288 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.441 -0.001 4.846 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.225 -0.517 2.735 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.308 -0.936 4.168 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.087 -3.331 4.843 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.920 -2.195 1.170 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.813 -5.622 4.000 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.648 -4.486 0.323 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.600 -6.206 1.740 1.00 0.00 H new ATOM 630 N LYS A 47 -9.077 -0.127 2.885 1.00 0.00 N ATOM 631 CA LYS A 47 -10.254 -0.163 2.025 1.00 0.00 C ATOM 632 C LYS A 47 -9.884 0.158 0.581 1.00 0.00 C ATOM 633 O LYS A 47 -8.816 0.707 0.310 1.00 0.00 O ATOM 634 CB LYS A 47 -11.307 0.829 2.525 1.00 0.00 C ATOM 635 CG LYS A 47 -11.855 0.491 3.901 1.00 0.00 C ATOM 636 CD LYS A 47 -12.866 -0.641 3.837 1.00 0.00 C ATOM 637 CE LYS A 47 -13.428 -0.966 5.212 1.00 0.00 C ATOM 638 NZ LYS A 47 -14.716 -1.708 5.124 1.00 0.00 N ATOM 0 H LYS A 47 -8.594 0.771 2.900 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.667 -1.171 2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.870 1.827 2.552 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.131 0.861 1.813 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.034 0.210 4.561 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.324 1.375 4.334 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.680 -0.366 3.166 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.393 -1.529 3.417 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.704 -1.561 5.769 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.579 -0.042 5.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.066 -1.911 6.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.415 -1.131 4.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.568 -2.602 4.614 1.00 0.00 H new ATOM 652 N LYS A 48 -10.773 -0.187 -0.344 1.00 0.00 N ATOM 653 CA LYS A 48 -10.542 0.067 -1.761 1.00 0.00 C ATOM 654 C LYS A 48 -10.390 1.561 -2.029 1.00 0.00 C ATOM 655 O LYS A 48 -11.360 2.315 -1.964 1.00 0.00 O ATOM 656 CB LYS A 48 -11.694 -0.496 -2.596 1.00 0.00 C ATOM 657 CG LYS A 48 -11.752 0.062 -4.008 1.00 0.00 C ATOM 658 CD LYS A 48 -12.712 -0.728 -4.881 1.00 0.00 C ATOM 659 CE LYS A 48 -12.676 -0.250 -6.324 1.00 0.00 C ATOM 660 NZ LYS A 48 -13.668 -0.967 -7.171 1.00 0.00 N ATOM 0 H LYS A 48 -11.661 -0.644 -0.137 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.616 -0.432 -2.047 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.599 -1.581 -2.647 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.636 -0.282 -2.091 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.064 1.106 -3.975 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.756 0.041 -4.450 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.455 -1.786 -4.841 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.725 -0.631 -4.490 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.877 0.821 -6.357 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.676 -0.399 -6.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.612 -0.612 -8.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.461 -1.986 -7.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.625 -0.804 -6.798 1.00 0.00 H new ATOM 674 N GLY A 49 -9.165 1.982 -2.331 1.00 0.00 N ATOM 675 CA GLY A 49 -8.910 3.384 -2.605 1.00 0.00 C ATOM 676 C GLY A 49 -8.183 4.074 -1.468 1.00 0.00 C ATOM 677 O GLY A 49 -8.427 5.248 -1.188 1.00 0.00 O ATOM 0 H GLY A 49 -8.346 1.377 -2.391 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.318 3.471 -3.516 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.856 3.893 -2.789 1.00 0.00 H new ATOM 681 N GLU A 50 -7.289 3.344 -0.809 1.00 0.00 N ATOM 682 CA GLU A 50 -6.527 3.893 0.306 1.00 0.00 C ATOM 683 C GLU A 50 -5.031 3.665 0.108 1.00 0.00 C ATOM 684 O GLU A 50 -4.604 2.576 -0.276 1.00 0.00 O ATOM 685 CB GLU A 50 -6.980 3.261 1.624 1.00 0.00 C ATOM 686 CG GLU A 50 -6.765 4.154 2.834 1.00 0.00 C ATOM 687 CD GLU A 50 -7.531 3.679 4.053 1.00 0.00 C ATOM 688 OE1 GLU A 50 -7.952 2.503 4.069 1.00 0.00 O ATOM 689 OE2 GLU A 50 -7.709 4.483 4.992 1.00 0.00 O ATOM 0 H GLU A 50 -7.075 2.371 -1.028 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.712 4.967 0.344 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.038 3.010 1.552 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.440 2.326 1.773 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.701 4.191 3.069 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.073 5.171 2.590 1.00 0.00 H new ATOM 696 N ARG A 51 -4.240 4.700 0.373 1.00 0.00 N ATOM 697 CA ARG A 51 -2.793 4.613 0.223 1.00 0.00 C ATOM 698 C ARG A 51 -2.132 4.212 1.539 1.00 0.00 C ATOM 699 O ARG A 51 -2.688 4.429 2.616 1.00 0.00 O ATOM 700 CB ARG A 51 -2.228 5.952 -0.256 1.00 0.00 C ATOM 701 CG ARG A 51 -2.588 6.285 -1.695 1.00 0.00 C ATOM 702 CD ARG A 51 -1.560 7.212 -2.326 1.00 0.00 C ATOM 703 NE ARG A 51 -2.054 7.817 -3.559 1.00 0.00 N ATOM 704 CZ ARG A 51 -1.462 8.841 -4.164 1.00 0.00 C ATOM 705 NH1 ARG A 51 -0.359 9.370 -3.651 1.00 0.00 N ATOM 706 NH2 ARG A 51 -1.971 9.337 -5.284 1.00 0.00 N ATOM 0 H ARG A 51 -4.577 5.608 0.693 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.576 3.846 -0.521 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.596 6.746 0.395 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.143 5.935 -0.156 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.656 5.366 -2.276 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.571 6.755 -1.726 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.296 7.997 -1.617 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.648 6.653 -2.536 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.900 7.433 -3.979 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.036 8.991 -2.791 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.094 10.156 -4.117 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.818 8.932 -5.682 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.515 10.123 -5.747 1.00 0.00 H new ATOM 720 N PHE A 52 -0.944 3.624 1.443 1.00 0.00 N ATOM 721 CA PHE A 52 -0.208 3.191 2.625 1.00 0.00 C ATOM 722 C PHE A 52 1.295 3.199 2.363 1.00 0.00 C ATOM 723 O PHE A 52 1.744 2.899 1.257 1.00 0.00 O ATOM 724 CB PHE A 52 -0.657 1.790 3.046 1.00 0.00 C ATOM 725 CG PHE A 52 -2.147 1.650 3.174 1.00 0.00 C ATOM 726 CD1 PHE A 52 -2.926 1.351 2.067 1.00 0.00 C ATOM 727 CD2 PHE A 52 -2.769 1.819 4.400 1.00 0.00 C ATOM 728 CE1 PHE A 52 -4.297 1.221 2.182 1.00 0.00 C ATOM 729 CE2 PHE A 52 -4.139 1.691 4.521 1.00 0.00 C ATOM 730 CZ PHE A 52 -4.905 1.393 3.410 1.00 0.00 C ATOM 0 H PHE A 52 -0.471 3.437 0.559 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.421 3.891 3.432 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.294 1.066 2.316 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.194 1.540 4.000 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.456 1.218 1.104 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.176 2.054 5.272 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.892 0.985 1.312 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.611 1.824 5.483 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.977 1.295 3.502 1.00 0.00 H new ATOM 740 N GLN A 53 2.066 3.544 3.389 1.00 0.00 N ATOM 741 CA GLN A 53 3.519 3.593 3.270 1.00 0.00 C ATOM 742 C GLN A 53 4.134 2.226 3.551 1.00 0.00 C ATOM 743 O GLN A 53 4.146 1.763 4.692 1.00 0.00 O ATOM 744 CB GLN A 53 4.096 4.633 4.231 1.00 0.00 C ATOM 745 CG GLN A 53 4.157 6.035 3.646 1.00 0.00 C ATOM 746 CD GLN A 53 4.276 7.107 4.711 1.00 0.00 C ATOM 747 OE1 GLN A 53 3.560 7.086 5.713 1.00 0.00 O ATOM 748 NE2 GLN A 53 5.184 8.053 4.501 1.00 0.00 N ATOM 0 H GLN A 53 1.709 3.794 4.311 1.00 0.00 H new ATOM 0 HA GLN A 53 3.765 3.879 2.247 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.491 4.653 5.138 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.100 4.327 4.524 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.008 6.105 2.969 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.261 6.216 3.052 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.756 8.032 3.657 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.309 8.800 5.184 1.00 0.00 H new ATOM 757 N ILE A 54 4.643 1.585 2.505 1.00 0.00 N ATOM 758 CA ILE A 54 5.261 0.272 2.640 1.00 0.00 C ATOM 759 C ILE A 54 6.515 0.341 3.504 1.00 0.00 C ATOM 760 O ILE A 54 7.563 0.810 3.058 1.00 0.00 O ATOM 761 CB ILE A 54 5.628 -0.322 1.268 1.00 0.00 C ATOM 762 CG1 ILE A 54 4.415 -0.296 0.335 1.00 0.00 C ATOM 763 CG2 ILE A 54 6.150 -1.742 1.427 1.00 0.00 C ATOM 764 CD1 ILE A 54 3.224 -1.059 0.872 1.00 0.00 C ATOM 0 H ILE A 54 4.640 1.954 1.554 1.00 0.00 H new ATOM 0 HA ILE A 54 4.527 -0.374 3.121 1.00 0.00 H new ATOM 0 HB ILE A 54 6.417 0.286 0.825 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.124 0.740 0.159 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.700 -0.715 -0.630 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.405 -2.148 0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.038 -1.735 2.059 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.382 -2.363 1.888 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.401 -0.998 0.159 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.498 -2.103 1.021 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.913 -0.626 1.823 1.00 0.00 H new ATOM 776 N ILE A 55 6.402 -0.131 4.741 1.00 0.00 N ATOM 777 CA ILE A 55 7.528 -0.126 5.666 1.00 0.00 C ATOM 778 C ILE A 55 8.449 -1.315 5.418 1.00 0.00 C ATOM 779 O ILE A 55 9.668 -1.165 5.346 1.00 0.00 O ATOM 780 CB ILE A 55 7.054 -0.155 7.131 1.00 0.00 C ATOM 781 CG1 ILE A 55 6.012 0.939 7.375 1.00 0.00 C ATOM 782 CG2 ILE A 55 8.236 0.012 8.075 1.00 0.00 C ATOM 783 CD1 ILE A 55 5.110 0.662 8.557 1.00 0.00 C ATOM 0 H ILE A 55 5.542 -0.522 5.126 1.00 0.00 H new ATOM 0 HA ILE A 55 8.077 0.799 5.489 1.00 0.00 H new ATOM 0 HB ILE A 55 6.591 -1.122 7.328 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.524 1.888 7.534 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.400 1.053 6.480 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.884 -0.011 9.106 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.946 -0.800 7.916 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.726 0.966 7.880 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.397 1.479 8.670 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.570 -0.271 8.392 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.712 0.578 9.462 1.00 0.00 H new ATOM 795 N ASN A 56 7.857 -2.498 5.287 1.00 0.00 N ATOM 796 CA ASN A 56 8.624 -3.714 5.045 1.00 0.00 C ATOM 797 C ASN A 56 7.979 -4.555 3.948 1.00 0.00 C ATOM 798 O ASN A 56 6.808 -4.919 4.039 1.00 0.00 O ATOM 799 CB ASN A 56 8.738 -4.534 6.332 1.00 0.00 C ATOM 800 CG ASN A 56 10.014 -5.352 6.385 1.00 0.00 C ATOM 801 OD1 ASN A 56 10.580 -5.709 5.351 1.00 0.00 O ATOM 802 ND2 ASN A 56 10.474 -5.654 7.594 1.00 0.00 N ATOM 0 H ASN A 56 6.849 -2.640 5.344 1.00 0.00 H new ATOM 0 HA ASN A 56 9.622 -3.425 4.716 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.703 -3.864 7.191 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.879 -5.200 6.413 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.328 -6.202 7.692 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.973 -5.337 8.424 1.00 0.00 H new ATOM 809 N ASN A 57 8.753 -4.861 2.911 1.00 0.00 N ATOM 810 CA ASN A 57 8.257 -5.659 1.796 1.00 0.00 C ATOM 811 C ASN A 57 9.034 -6.967 1.676 1.00 0.00 C ATOM 812 O ASN A 57 9.332 -7.426 0.572 1.00 0.00 O ATOM 813 CB ASN A 57 8.361 -4.869 0.490 1.00 0.00 C ATOM 814 CG ASN A 57 9.790 -4.484 0.159 1.00 0.00 C ATOM 815 OD1 ASN A 57 10.680 -5.333 0.121 1.00 0.00 O ATOM 816 ND2 ASN A 57 10.015 -3.197 -0.081 1.00 0.00 N ATOM 0 H ASN A 57 9.726 -4.568 2.820 1.00 0.00 H new ATOM 0 HA ASN A 57 7.210 -5.895 1.987 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.950 -5.464 -0.325 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.753 -3.968 0.564 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.957 -2.878 -0.308 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.246 -2.528 -0.038 1.00 0.00 H new ATOM 823 N THR A 58 9.360 -7.563 2.818 1.00 0.00 N ATOM 824 CA THR A 58 10.102 -8.817 2.842 1.00 0.00 C ATOM 825 C THR A 58 9.167 -10.013 2.700 1.00 0.00 C ATOM 826 O THR A 58 9.485 -10.982 2.013 1.00 0.00 O ATOM 827 CB THR A 58 10.913 -8.966 4.143 1.00 0.00 C ATOM 828 OG1 THR A 58 11.611 -10.216 4.145 1.00 0.00 O ATOM 829 CG2 THR A 58 10.004 -8.883 5.360 1.00 0.00 C ATOM 0 H THR A 58 9.121 -7.197 3.740 1.00 0.00 H new ATOM 0 HA THR A 58 10.788 -8.793 1.995 1.00 0.00 H new ATOM 0 HB THR A 58 11.633 -8.149 4.192 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.125 -10.302 4.975 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.599 -8.991 6.267 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.498 -7.918 5.371 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.263 -9.681 5.316 1.00 0.00 H new ATOM 837 N GLU A 59 8.012 -9.936 3.354 1.00 0.00 N ATOM 838 CA GLU A 59 7.031 -11.013 3.300 1.00 0.00 C ATOM 839 C GLU A 59 5.988 -10.745 2.219 1.00 0.00 C ATOM 840 O GLU A 59 5.040 -9.990 2.429 1.00 0.00 O ATOM 841 CB GLU A 59 6.345 -11.176 4.657 1.00 0.00 C ATOM 842 CG GLU A 59 7.309 -11.455 5.798 1.00 0.00 C ATOM 843 CD GLU A 59 6.676 -12.267 6.911 1.00 0.00 C ATOM 844 OE1 GLU A 59 6.059 -13.309 6.608 1.00 0.00 O ATOM 845 OE2 GLU A 59 6.799 -11.860 8.086 1.00 0.00 O ATOM 0 H GLU A 59 7.733 -9.139 3.927 1.00 0.00 H new ATOM 0 HA GLU A 59 7.556 -11.936 3.053 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.783 -10.270 4.881 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.624 -11.991 4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.178 -11.989 5.413 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.670 -10.510 6.203 1.00 0.00 H new ATOM 852 N GLY A 60 6.172 -11.370 1.059 1.00 0.00 N ATOM 853 CA GLY A 60 5.240 -11.186 -0.038 1.00 0.00 C ATOM 854 C GLY A 60 3.798 -11.371 0.389 1.00 0.00 C ATOM 855 O GLY A 60 2.965 -10.488 0.185 1.00 0.00 O ATOM 0 H GLY A 60 6.949 -12.000 0.860 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.367 -10.187 -0.455 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.474 -11.895 -0.832 1.00 0.00 H new ATOM 859 N ASP A 61 3.501 -12.523 0.980 1.00 0.00 N ATOM 860 CA ASP A 61 2.149 -12.823 1.436 1.00 0.00 C ATOM 861 C ASP A 61 1.508 -11.596 2.080 1.00 0.00 C ATOM 862 O ASP A 61 0.371 -11.243 1.768 1.00 0.00 O ATOM 863 CB ASP A 61 2.168 -13.984 2.431 1.00 0.00 C ATOM 864 CG ASP A 61 3.159 -13.765 3.558 1.00 0.00 C ATOM 865 OD1 ASP A 61 4.122 -12.994 3.360 1.00 0.00 O ATOM 866 OD2 ASP A 61 2.971 -14.363 4.637 1.00 0.00 O ATOM 0 H ASP A 61 4.179 -13.265 1.155 1.00 0.00 H new ATOM 0 HA ASP A 61 1.555 -13.109 0.568 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.170 -14.117 2.849 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.418 -14.905 1.905 1.00 0.00 H new ATOM 871 N TRP A 62 2.245 -10.954 2.978 1.00 0.00 N ATOM 872 CA TRP A 62 1.748 -9.768 3.666 1.00 0.00 C ATOM 873 C TRP A 62 2.873 -8.766 3.906 1.00 0.00 C ATOM 874 O TRP A 62 3.944 -9.128 4.394 1.00 0.00 O ATOM 875 CB TRP A 62 1.103 -10.158 4.997 1.00 0.00 C ATOM 876 CG TRP A 62 0.028 -11.192 4.856 1.00 0.00 C ATOM 877 CD1 TRP A 62 0.200 -12.529 4.635 1.00 0.00 C ATOM 878 CD2 TRP A 62 -1.385 -10.974 4.924 1.00 0.00 C ATOM 879 NE1 TRP A 62 -1.021 -13.154 4.561 1.00 0.00 N ATOM 880 CE2 TRP A 62 -2.009 -12.222 4.736 1.00 0.00 C ATOM 881 CE3 TRP A 62 -2.184 -9.845 5.126 1.00 0.00 C ATOM 882 CZ2 TRP A 62 -3.394 -12.371 4.745 1.00 0.00 C ATOM 883 CZ3 TRP A 62 -3.558 -9.995 5.134 1.00 0.00 C ATOM 884 CH2 TRP A 62 -4.152 -11.250 4.945 1.00 0.00 C ATOM 0 H TRP A 62 3.188 -11.234 3.247 1.00 0.00 H new ATOM 0 HA TRP A 62 0.997 -9.298 3.031 1.00 0.00 H new ATOM 0 HB2 TRP A 62 1.874 -10.535 5.669 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.681 -9.267 5.463 1.00 0.00 H new ATOM 0 HD1 TRP A 62 1.155 -13.022 4.533 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -1.168 -14.151 4.402 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -1.736 -8.873 5.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -3.853 -13.338 4.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.185 -9.129 5.289 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.229 -11.334 4.957 1.00 0.00 H new ATOM 895 N TRP A 63 2.622 -7.509 3.562 1.00 0.00 N ATOM 896 CA TRP A 63 3.615 -6.455 3.740 1.00 0.00 C ATOM 897 C TRP A 63 3.212 -5.513 4.869 1.00 0.00 C ATOM 898 O TRP A 63 2.026 -5.306 5.122 1.00 0.00 O ATOM 899 CB TRP A 63 3.793 -5.668 2.441 1.00 0.00 C ATOM 900 CG TRP A 63 4.469 -6.454 1.358 1.00 0.00 C ATOM 901 CD1 TRP A 63 5.342 -7.491 1.522 1.00 0.00 C ATOM 902 CD2 TRP A 63 4.329 -6.264 -0.054 1.00 0.00 C ATOM 903 NE1 TRP A 63 5.753 -7.957 0.296 1.00 0.00 N ATOM 904 CE2 TRP A 63 5.145 -7.222 -0.686 1.00 0.00 C ATOM 905 CE3 TRP A 63 3.591 -5.379 -0.845 1.00 0.00 C ATOM 906 CZ2 TRP A 63 5.243 -7.317 -2.072 1.00 0.00 C ATOM 907 CZ3 TRP A 63 3.690 -5.475 -2.220 1.00 0.00 C ATOM 908 CH2 TRP A 63 4.510 -6.438 -2.822 1.00 0.00 C ATOM 0 H TRP A 63 1.740 -7.194 3.158 1.00 0.00 H new ATOM 0 HA TRP A 63 4.563 -6.924 4.004 1.00 0.00 H new ATOM 0 HB2 TRP A 63 2.816 -5.340 2.086 1.00 0.00 H new ATOM 0 HB3 TRP A 63 4.375 -4.770 2.646 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.662 -7.887 2.474 1.00 0.00 H new ATOM 0 HE1 TRP A 63 6.405 -8.726 0.143 1.00 0.00 H new ATOM 0 HE3 TRP A 63 2.955 -4.634 -0.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 5.875 -8.058 -2.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 3.125 -4.796 -2.841 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.565 -6.488 -3.899 1.00 0.00 H new ATOM 919 N GLU A 64 4.206 -4.944 5.544 1.00 0.00 N ATOM 920 CA GLU A 64 3.953 -4.024 6.646 1.00 0.00 C ATOM 921 C GLU A 64 3.943 -2.579 6.157 1.00 0.00 C ATOM 922 O GLU A 64 4.978 -2.034 5.775 1.00 0.00 O ATOM 923 CB GLU A 64 5.011 -4.197 7.738 1.00 0.00 C ATOM 924 CG GLU A 64 4.718 -3.404 9.000 1.00 0.00 C ATOM 925 CD GLU A 64 5.445 -3.949 10.214 1.00 0.00 C ATOM 926 OE1 GLU A 64 6.581 -4.443 10.053 1.00 0.00 O ATOM 927 OE2 GLU A 64 4.878 -3.882 11.325 1.00 0.00 O ATOM 0 H GLU A 64 5.194 -5.104 5.347 1.00 0.00 H new ATOM 0 HA GLU A 64 2.972 -4.256 7.061 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.088 -5.254 7.993 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.981 -3.892 7.344 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.005 -2.364 8.846 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.645 -3.413 9.189 1.00 0.00 H new ATOM 934 N ALA A 65 2.764 -1.964 6.170 1.00 0.00 N ATOM 935 CA ALA A 65 2.619 -0.582 5.730 1.00 0.00 C ATOM 936 C ALA A 65 1.856 0.245 6.760 1.00 0.00 C ATOM 937 O ALA A 65 1.048 -0.286 7.521 1.00 0.00 O ATOM 938 CB ALA A 65 1.915 -0.529 4.382 1.00 0.00 C ATOM 0 H ALA A 65 1.896 -2.401 6.480 1.00 0.00 H new ATOM 0 HA ALA A 65 3.616 -0.153 5.625 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.813 0.509 4.065 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.500 -1.078 3.644 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.927 -0.980 4.470 1.00 0.00 H new ATOM 944 N ARG A 66 2.120 1.547 6.778 1.00 0.00 N ATOM 945 CA ARG A 66 1.460 2.447 7.716 1.00 0.00 C ATOM 946 C ARG A 66 0.631 3.492 6.975 1.00 0.00 C ATOM 947 O ARG A 66 1.176 4.403 6.352 1.00 0.00 O ATOM 948 CB ARG A 66 2.494 3.138 8.607 1.00 0.00 C ATOM 949 CG ARG A 66 1.888 4.124 9.592 1.00 0.00 C ATOM 950 CD ARG A 66 2.956 4.985 10.248 1.00 0.00 C ATOM 951 NE ARG A 66 3.717 4.244 11.250 1.00 0.00 N ATOM 952 CZ ARG A 66 4.903 4.630 11.707 1.00 0.00 C ATOM 953 NH1 ARG A 66 5.460 5.745 11.254 1.00 0.00 N ATOM 954 NH2 ARG A 66 5.533 3.902 12.620 1.00 0.00 N ATOM 0 H ARG A 66 2.786 2.002 6.154 1.00 0.00 H new ATOM 0 HA ARG A 66 0.792 1.854 8.340 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.049 2.380 9.160 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.212 3.662 7.976 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.172 4.762 9.075 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.336 3.581 10.359 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.635 5.364 9.485 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.487 5.850 10.716 1.00 0.00 H new ATOM 0 HE ARG A 66 3.316 3.382 11.620 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.978 6.308 10.553 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.371 6.040 11.606 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.107 3.045 12.972 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.444 4.200 12.970 1.00 0.00 H new ATOM 968 N SER A 67 -0.689 3.353 7.048 1.00 0.00 N ATOM 969 CA SER A 67 -1.593 4.283 6.381 1.00 0.00 C ATOM 970 C SER A 67 -1.115 5.721 6.550 1.00 0.00 C ATOM 971 O SER A 67 -0.722 6.132 7.642 1.00 0.00 O ATOM 972 CB SER A 67 -3.011 4.135 6.936 1.00 0.00 C ATOM 973 OG SER A 67 -3.897 5.056 6.324 1.00 0.00 O ATOM 0 H SER A 67 -1.156 2.606 7.562 1.00 0.00 H new ATOM 0 HA SER A 67 -1.600 4.045 5.317 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.366 3.118 6.769 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.002 4.296 8.014 1.00 0.00 H new ATOM 0 HG SER A 67 -4.691 5.170 6.887 1.00 0.00 H new ATOM 979 N ILE A 68 -1.153 6.482 5.461 1.00 0.00 N ATOM 980 CA ILE A 68 -0.725 7.876 5.488 1.00 0.00 C ATOM 981 C ILE A 68 -1.901 8.806 5.767 1.00 0.00 C ATOM 982 O ILE A 68 -1.722 9.914 6.272 1.00 0.00 O ATOM 983 CB ILE A 68 -0.063 8.287 4.160 1.00 0.00 C ATOM 984 CG1 ILE A 68 0.794 7.142 3.616 1.00 0.00 C ATOM 985 CG2 ILE A 68 0.779 9.539 4.354 1.00 0.00 C ATOM 986 CD1 ILE A 68 1.248 7.353 2.189 1.00 0.00 C ATOM 0 H ILE A 68 -1.476 6.157 4.549 1.00 0.00 H new ATOM 0 HA ILE A 68 0.006 7.967 6.292 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.845 8.507 3.434 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.670 7.020 4.253 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.226 6.214 3.674 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.241 9.817 3.407 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.144 10.354 4.702 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.556 9.344 5.093 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.851 6.503 1.869 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.377 7.445 1.540 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.844 8.264 2.128 1.00 0.00 H new ATOM 998 N ALA A 69 -3.103 8.348 5.435 1.00 0.00 N ATOM 999 CA ALA A 69 -4.309 9.137 5.653 1.00 0.00 C ATOM 1000 C ALA A 69 -4.779 9.033 7.100 1.00 0.00 C ATOM 1001 O ALA A 69 -4.850 10.032 7.815 1.00 0.00 O ATOM 1002 CB ALA A 69 -5.411 8.691 4.704 1.00 0.00 C ATOM 0 H ALA A 69 -3.268 7.434 5.014 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.072 10.181 5.450 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.305 9.289 4.878 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.080 8.825 3.674 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.638 7.639 4.879 1.00 0.00 H new ATOM 1008 N THR A 70 -5.102 7.815 7.526 1.00 0.00 N ATOM 1009 CA THR A 70 -5.568 7.580 8.887 1.00 0.00 C ATOM 1010 C THR A 70 -4.400 7.507 9.863 1.00 0.00 C ATOM 1011 O THR A 70 -4.389 8.192 10.885 1.00 0.00 O ATOM 1012 CB THR A 70 -6.385 6.278 8.984 1.00 0.00 C ATOM 1013 OG1 THR A 70 -5.635 5.187 8.439 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.707 6.412 8.242 1.00 0.00 C ATOM 0 H THR A 70 -5.049 6.976 6.948 1.00 0.00 H new ATOM 0 HA THR A 70 -6.207 8.422 9.152 1.00 0.00 H new ATOM 0 HB THR A 70 -6.595 6.084 10.036 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.161 4.363 8.506 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.267 5.480 8.324 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.288 7.224 8.678 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.514 6.628 7.191 1.00 0.00 H new ATOM 1022 N GLY A 71 -3.416 6.673 9.541 1.00 0.00 N ATOM 1023 CA GLY A 71 -2.256 6.527 10.400 1.00 0.00 C ATOM 1024 C GLY A 71 -2.155 5.142 11.008 1.00 0.00 C ATOM 1025 O GLY A 71 -1.349 4.907 11.909 1.00 0.00 O ATOM 0 H GLY A 71 -3.402 6.096 8.700 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.354 6.735 9.825 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.303 7.268 11.198 1.00 0.00 H new ATOM 1029 N LYS A 72 -2.976 4.220 10.516 1.00 0.00 N ATOM 1030 CA LYS A 72 -2.978 2.850 11.015 1.00 0.00 C ATOM 1031 C LYS A 72 -1.714 2.113 10.584 1.00 0.00 C ATOM 1032 O LYS A 72 -0.929 2.622 9.784 1.00 0.00 O ATOM 1033 CB LYS A 72 -4.215 2.103 10.512 1.00 0.00 C ATOM 1034 CG LYS A 72 -5.508 2.557 11.167 1.00 0.00 C ATOM 1035 CD LYS A 72 -6.675 1.667 10.773 1.00 0.00 C ATOM 1036 CE LYS A 72 -7.366 2.177 9.517 1.00 0.00 C ATOM 1037 NZ LYS A 72 -8.601 1.404 9.211 1.00 0.00 N ATOM 0 H LYS A 72 -3.650 4.397 9.771 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.003 2.886 12.104 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.297 2.238 9.434 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.082 1.036 10.691 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.391 2.547 12.251 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.721 3.586 10.879 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.319 0.651 10.606 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.393 1.623 11.592 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.618 3.230 9.643 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.679 2.113 8.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.853 1.535 8.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.434 0.395 9.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.380 1.742 9.811 1.00 0.00 H new ATOM 1051 N SER A 73 -1.525 0.910 11.118 1.00 0.00 N ATOM 1052 CA SER A 73 -0.356 0.103 10.789 1.00 0.00 C ATOM 1053 C SER A 73 -0.648 -1.381 10.985 1.00 0.00 C ATOM 1054 O SER A 73 -1.371 -1.768 11.902 1.00 0.00 O ATOM 1055 CB SER A 73 0.836 0.519 11.654 1.00 0.00 C ATOM 1056 OG SER A 73 0.511 0.461 13.032 1.00 0.00 O ATOM 0 H SER A 73 -2.166 0.473 11.780 1.00 0.00 H new ATOM 0 HA SER A 73 -0.112 0.272 9.740 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.684 -0.135 11.449 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.144 1.531 11.392 1.00 0.00 H new ATOM 0 HG SER A 73 1.289 0.730 13.563 1.00 0.00 H new ATOM 1062 N GLY A 74 -0.079 -2.210 10.114 1.00 0.00 N ATOM 1063 CA GLY A 74 -0.290 -3.643 10.207 1.00 0.00 C ATOM 1064 C GLY A 74 0.310 -4.394 9.035 1.00 0.00 C ATOM 1065 O GLY A 74 1.418 -4.088 8.594 1.00 0.00 O ATOM 0 H GLY A 74 0.524 -1.915 9.346 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.148 -4.012 11.134 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.360 -3.847 10.256 1.00 0.00 H new ATOM 1069 N TYR A 75 -0.422 -5.381 8.530 1.00 0.00 N ATOM 1070 CA TYR A 75 0.046 -6.181 7.405 1.00 0.00 C ATOM 1071 C TYR A 75 -1.043 -6.318 6.344 1.00 0.00 C ATOM 1072 O TYR A 75 -2.168 -6.720 6.642 1.00 0.00 O ATOM 1073 CB TYR A 75 0.484 -7.566 7.884 1.00 0.00 C ATOM 1074 CG TYR A 75 1.478 -7.526 9.022 1.00 0.00 C ATOM 1075 CD1 TYR A 75 2.602 -6.712 8.961 1.00 0.00 C ATOM 1076 CD2 TYR A 75 1.294 -8.304 10.159 1.00 0.00 C ATOM 1077 CE1 TYR A 75 3.514 -6.673 9.998 1.00 0.00 C ATOM 1078 CE2 TYR A 75 2.199 -8.270 11.202 1.00 0.00 C ATOM 1079 CZ TYR A 75 3.307 -7.453 11.117 1.00 0.00 C ATOM 1080 OH TYR A 75 4.212 -7.418 12.153 1.00 0.00 O ATOM 0 H TYR A 75 -1.342 -5.646 8.882 1.00 0.00 H new ATOM 0 HA TYR A 75 0.900 -5.671 6.960 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.395 -8.127 8.200 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.924 -8.108 7.047 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.766 -6.099 8.087 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.428 -8.946 10.228 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.384 -6.036 9.933 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.040 -8.880 12.079 1.00 0.00 H new ATOM 0 HH TYR A 75 3.918 -8.024 12.865 1.00 0.00 H new ATOM 1090 N ILE A 76 -0.698 -5.983 5.106 1.00 0.00 N ATOM 1091 CA ILE A 76 -1.644 -6.070 4.000 1.00 0.00 C ATOM 1092 C ILE A 76 -1.136 -7.014 2.915 1.00 0.00 C ATOM 1093 O ILE A 76 0.056 -7.066 2.611 1.00 0.00 O ATOM 1094 CB ILE A 76 -1.911 -4.687 3.377 1.00 0.00 C ATOM 1095 CG1 ILE A 76 -0.607 -4.076 2.859 1.00 0.00 C ATOM 1096 CG2 ILE A 76 -2.565 -3.765 4.396 1.00 0.00 C ATOM 1097 CD1 ILE A 76 -0.793 -2.728 2.197 1.00 0.00 C ATOM 0 H ILE A 76 0.229 -5.649 4.843 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.575 -6.460 4.411 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.593 -4.810 2.535 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.091 -3.971 3.690 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.152 -4.763 2.145 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.748 -2.791 3.941 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.511 -4.196 4.722 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.905 -3.646 5.255 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.172 -2.355 1.854 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.466 -2.831 1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.219 -2.026 2.914 1.00 0.00 H new ATOM 1109 N PRO A 77 -2.061 -7.777 2.314 1.00 0.00 N ATOM 1110 CA PRO A 77 -1.731 -8.731 1.252 1.00 0.00 C ATOM 1111 C PRO A 77 -1.320 -8.038 -0.043 1.00 0.00 C ATOM 1112 O PRO A 77 -2.080 -7.247 -0.603 1.00 0.00 O ATOM 1113 CB PRO A 77 -3.036 -9.506 1.053 1.00 0.00 C ATOM 1114 CG PRO A 77 -4.104 -8.573 1.509 1.00 0.00 C ATOM 1115 CD PRO A 77 -3.500 -7.767 2.626 1.00 0.00 C ATOM 0 HA PRO A 77 -0.882 -9.360 1.519 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.175 -9.786 0.009 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.041 -10.428 1.634 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.432 -7.927 0.695 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.981 -9.122 1.853 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.899 -6.753 2.651 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.703 -8.214 3.599 1.00 0.00 H new ATOM 1123 N SER A 78 -0.115 -8.340 -0.514 1.00 0.00 N ATOM 1124 CA SER A 78 0.398 -7.743 -1.742 1.00 0.00 C ATOM 1125 C SER A 78 -0.405 -8.214 -2.951 1.00 0.00 C ATOM 1126 O SER A 78 -0.176 -7.766 -4.074 1.00 0.00 O ATOM 1127 CB SER A 78 1.875 -8.096 -1.928 1.00 0.00 C ATOM 1128 OG SER A 78 2.031 -9.449 -2.319 1.00 0.00 O ATOM 0 H SER A 78 0.525 -8.995 -0.064 1.00 0.00 H new ATOM 0 HA SER A 78 0.298 -6.661 -1.660 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.316 -7.443 -2.682 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.414 -7.919 -0.998 1.00 0.00 H new ATOM 0 HG SER A 78 2.358 -9.974 -1.559 1.00 0.00 H new ATOM 1134 N ASN A 79 -1.347 -9.120 -2.712 1.00 0.00 N ATOM 1135 CA ASN A 79 -2.184 -9.653 -3.780 1.00 0.00 C ATOM 1136 C ASN A 79 -3.431 -8.796 -3.973 1.00 0.00 C ATOM 1137 O ASN A 79 -4.237 -9.046 -4.870 1.00 0.00 O ATOM 1138 CB ASN A 79 -2.586 -11.096 -3.470 1.00 0.00 C ATOM 1139 CG ASN A 79 -3.124 -11.821 -4.688 1.00 0.00 C ATOM 1140 OD1 ASN A 79 -2.442 -12.660 -5.277 1.00 0.00 O ATOM 1141 ND2 ASN A 79 -4.354 -11.500 -5.073 1.00 0.00 N ATOM 0 H ASN A 79 -1.550 -9.501 -1.788 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.606 -9.635 -4.704 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.722 -11.635 -3.082 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.343 -11.099 -2.685 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -4.769 -11.955 -5.886 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -4.884 -10.799 -4.555 1.00 0.00 H new ATOM 1148 N TYR A 80 -3.583 -7.784 -3.126 1.00 0.00 N ATOM 1149 CA TYR A 80 -4.733 -6.890 -3.201 1.00 0.00 C ATOM 1150 C TYR A 80 -4.291 -5.456 -3.478 1.00 0.00 C ATOM 1151 O TYR A 80 -4.996 -4.693 -4.138 1.00 0.00 O ATOM 1152 CB TYR A 80 -5.535 -6.946 -1.900 1.00 0.00 C ATOM 1153 CG TYR A 80 -6.616 -8.004 -1.901 1.00 0.00 C ATOM 1154 CD1 TYR A 80 -6.363 -9.284 -2.377 1.00 0.00 C ATOM 1155 CD2 TYR A 80 -7.890 -7.722 -1.424 1.00 0.00 C ATOM 1156 CE1 TYR A 80 -7.348 -10.253 -2.380 1.00 0.00 C ATOM 1157 CE2 TYR A 80 -8.881 -8.685 -1.421 1.00 0.00 C ATOM 1158 CZ TYR A 80 -8.605 -9.949 -1.901 1.00 0.00 C ATOM 1159 OH TYR A 80 -9.588 -10.911 -1.901 1.00 0.00 O ATOM 0 H TYR A 80 -2.924 -7.562 -2.379 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.366 -7.222 -4.024 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -4.854 -7.135 -1.071 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.991 -5.972 -1.722 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.379 -9.526 -2.751 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -8.110 -6.733 -1.049 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.135 -11.243 -2.755 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -9.866 -8.450 -1.045 1.00 0.00 H new ATOM 0 HH TYR A 80 -10.414 -10.535 -1.530 1.00 0.00 H new ATOM 1169 N VAL A 81 -3.117 -5.097 -2.968 1.00 0.00 N ATOM 1170 CA VAL A 81 -2.578 -3.756 -3.161 1.00 0.00 C ATOM 1171 C VAL A 81 -1.499 -3.747 -4.238 1.00 0.00 C ATOM 1172 O VAL A 81 -0.767 -4.722 -4.407 1.00 0.00 O ATOM 1173 CB VAL A 81 -1.988 -3.195 -1.853 1.00 0.00 C ATOM 1174 CG1 VAL A 81 -3.084 -2.988 -0.819 1.00 0.00 C ATOM 1175 CG2 VAL A 81 -0.905 -4.120 -1.318 1.00 0.00 C ATOM 0 H VAL A 81 -2.521 -5.716 -2.418 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.408 -3.124 -3.477 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.534 -2.227 -2.064 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.649 -2.591 0.098 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.820 -2.283 -1.205 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.570 -3.941 -0.608 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.499 -3.709 -0.394 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.331 -5.104 -1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.108 -4.211 -2.055 1.00 0.00 H new ATOM 1185 N VAL A 82 -1.405 -2.637 -4.964 1.00 0.00 N ATOM 1186 CA VAL A 82 -0.414 -2.500 -6.024 1.00 0.00 C ATOM 1187 C VAL A 82 0.211 -1.109 -6.015 1.00 0.00 C ATOM 1188 O VAL A 82 -0.398 -0.130 -5.583 1.00 0.00 O ATOM 1189 CB VAL A 82 -1.033 -2.763 -7.410 1.00 0.00 C ATOM 1190 CG1 VAL A 82 -2.042 -3.899 -7.337 1.00 0.00 C ATOM 1191 CG2 VAL A 82 -1.682 -1.498 -7.952 1.00 0.00 C ATOM 0 H VAL A 82 -2.003 -1.820 -4.837 1.00 0.00 H new ATOM 0 HA VAL A 82 0.359 -3.245 -5.832 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.237 -3.058 -8.094 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.469 -4.071 -8.325 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.544 -4.806 -6.994 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.837 -3.635 -6.639 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.114 -1.702 -8.932 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.467 -1.171 -7.270 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.930 -0.714 -8.043 1.00 0.00 H new ATOM 1201 N PRO A 83 1.457 -1.017 -6.503 1.00 0.00 N ATOM 1202 CA PRO A 83 2.193 0.250 -6.563 1.00 0.00 C ATOM 1203 C PRO A 83 1.612 1.208 -7.597 1.00 0.00 C ATOM 1204 O PRO A 83 1.332 0.819 -8.730 1.00 0.00 O ATOM 1205 CB PRO A 83 3.606 -0.179 -6.965 1.00 0.00 C ATOM 1206 CG PRO A 83 3.419 -1.469 -7.687 1.00 0.00 C ATOM 1207 CD PRO A 83 2.244 -2.143 -7.034 1.00 0.00 C ATOM 0 HA PRO A 83 2.151 0.792 -5.618 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.080 0.567 -7.603 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.246 -0.303 -6.091 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.232 -1.299 -8.747 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.313 -2.089 -7.617 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.670 -2.732 -7.749 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.559 -2.822 -6.242 1.00 0.00 H new ATOM 1215 N ALA A 84 1.434 2.464 -7.198 1.00 0.00 N ATOM 1216 CA ALA A 84 0.889 3.479 -8.091 1.00 0.00 C ATOM 1217 C ALA A 84 1.799 3.696 -9.295 1.00 0.00 C ATOM 1218 O ALA A 84 1.450 4.423 -10.226 1.00 0.00 O ATOM 1219 CB ALA A 84 0.681 4.786 -7.341 1.00 0.00 C ATOM 0 H ALA A 84 1.659 2.802 -6.262 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.075 3.126 -8.456 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.274 5.535 -8.021 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -0.015 4.626 -6.518 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.635 5.135 -6.947 1.00 0.00 H new ATOM 1225 N ASP A 85 2.967 3.063 -9.270 1.00 0.00 N ATOM 1226 CA ASP A 85 3.927 3.188 -10.360 1.00 0.00 C ATOM 1227 C ASP A 85 3.775 2.039 -11.353 1.00 0.00 C ATOM 1228 O ASP A 85 3.836 2.241 -12.565 1.00 0.00 O ATOM 1229 CB ASP A 85 5.354 3.217 -9.810 1.00 0.00 C ATOM 1230 CG ASP A 85 6.384 3.495 -10.887 1.00 0.00 C ATOM 1231 OD1 ASP A 85 6.118 4.351 -11.756 1.00 0.00 O ATOM 1232 OD2 ASP A 85 7.457 2.855 -10.862 1.00 0.00 O ATOM 0 H ASP A 85 3.271 2.458 -8.507 1.00 0.00 H new ATOM 0 HA ASP A 85 3.727 4.124 -10.882 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.427 3.981 -9.036 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.577 2.261 -9.336 1.00 0.00 H new ATOM 1237 N SER A 86 3.577 0.834 -10.829 1.00 0.00 N ATOM 1238 CA SER A 86 3.420 -0.348 -11.669 1.00 0.00 C ATOM 1239 C SER A 86 1.985 -0.862 -11.622 1.00 0.00 C ATOM 1240 O SER A 86 1.734 -2.054 -11.803 1.00 0.00 O ATOM 1241 CB SER A 86 4.383 -1.449 -11.220 1.00 0.00 C ATOM 1242 OG SER A 86 5.609 -1.374 -11.927 1.00 0.00 O ATOM 0 H SER A 86 3.521 0.650 -9.827 1.00 0.00 H new ATOM 0 HA SER A 86 3.653 -0.067 -12.696 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.571 -1.358 -10.150 1.00 0.00 H new ATOM 0 HB3 SER A 86 3.925 -2.425 -11.382 1.00 0.00 H new ATOM 0 HG SER A 86 6.207 -2.087 -11.621 1.00 0.00 H new ATOM 1248 N ILE A 87 1.046 0.046 -11.378 1.00 0.00 N ATOM 1249 CA ILE A 87 -0.365 -0.314 -11.308 1.00 0.00 C ATOM 1250 C ILE A 87 -0.719 -1.355 -12.364 1.00 0.00 C ATOM 1251 O ILE A 87 -0.840 -1.038 -13.547 1.00 0.00 O ATOM 1252 CB ILE A 87 -1.270 0.918 -11.494 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -0.600 2.164 -10.911 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -2.624 0.684 -10.842 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -1.573 3.274 -10.579 1.00 0.00 C ATOM 0 H ILE A 87 1.237 1.036 -11.225 1.00 0.00 H new ATOM 0 HA ILE A 87 -0.535 -0.733 -10.316 1.00 0.00 H new ATOM 0 HB ILE A 87 -1.425 1.078 -12.561 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.057 1.886 -10.008 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.136 2.538 -11.623 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.252 1.564 -10.982 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.104 -0.181 -11.300 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.488 0.501 -9.776 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.028 4.125 -10.170 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.098 3.580 -11.484 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.294 2.918 -9.843 1.00 0.00 H new ATOM 1267 N GLN A 88 -0.886 -2.600 -11.927 1.00 0.00 N ATOM 1268 CA GLN A 88 -1.228 -3.688 -12.836 1.00 0.00 C ATOM 1269 C GLN A 88 -2.698 -3.622 -13.235 1.00 0.00 C ATOM 1270 O GLN A 88 -3.073 -4.034 -14.332 1.00 0.00 O ATOM 1271 CB GLN A 88 -0.924 -5.038 -12.184 1.00 0.00 C ATOM 1272 CG GLN A 88 -1.669 -5.266 -10.879 1.00 0.00 C ATOM 1273 CD GLN A 88 -2.984 -5.994 -11.078 1.00 0.00 C ATOM 1274 OE1 GLN A 88 -4.030 -5.552 -10.602 1.00 0.00 O ATOM 1275 NE2 GLN A 88 -2.938 -7.118 -11.784 1.00 0.00 N ATOM 0 H GLN A 88 -0.790 -2.880 -10.951 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.622 -3.582 -13.736 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.180 -5.835 -12.882 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.148 -5.109 -11.998 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.039 -5.841 -10.201 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.859 -4.305 -10.400 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -2.049 -7.448 -12.160 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.792 -7.651 -11.950 1.00 0.00 H new ATOM 1284 N ALA A 89 -3.528 -3.103 -12.336 1.00 0.00 N ATOM 1285 CA ALA A 89 -4.957 -2.982 -12.595 1.00 0.00 C ATOM 1286 C ALA A 89 -5.347 -1.530 -12.854 1.00 0.00 C ATOM 1287 O ALA A 89 -6.495 -1.140 -12.645 1.00 0.00 O ATOM 1288 CB ALA A 89 -5.755 -3.544 -11.428 1.00 0.00 C ATOM 0 H ALA A 89 -3.235 -2.760 -11.421 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.189 -3.559 -13.490 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.821 -3.447 -11.636 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.507 -4.596 -11.291 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.510 -2.992 -10.521 1.00 0.00 H new ATOM 1294 N GLU A 90 -4.384 -0.736 -13.310 1.00 0.00 N ATOM 1295 CA GLU A 90 -4.628 0.673 -13.595 1.00 0.00 C ATOM 1296 C GLU A 90 -6.027 0.878 -14.169 1.00 0.00 C ATOM 1297 O GLU A 90 -6.626 1.941 -14.007 1.00 0.00 O ATOM 1298 CB GLU A 90 -3.581 1.207 -14.575 1.00 0.00 C ATOM 1299 CG GLU A 90 -3.196 0.211 -15.657 1.00 0.00 C ATOM 1300 CD GLU A 90 -4.010 0.383 -16.924 1.00 0.00 C ATOM 1301 OE1 GLU A 90 -5.244 0.197 -16.868 1.00 0.00 O ATOM 1302 OE2 GLU A 90 -3.413 0.705 -17.973 1.00 0.00 O ATOM 0 H GLU A 90 -3.428 -1.044 -13.490 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.554 1.224 -12.658 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.965 2.112 -15.046 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.687 1.491 -14.020 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.138 0.326 -15.891 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.331 -0.802 -15.278 1.00 0.00 H new ATOM 1309 N GLU A 91 -6.542 -0.149 -14.839 1.00 0.00 N ATOM 1310 CA GLU A 91 -7.870 -0.081 -15.437 1.00 0.00 C ATOM 1311 C GLU A 91 -8.854 0.611 -14.499 1.00 0.00 C ATOM 1312 O GLU A 91 -9.784 1.284 -14.945 1.00 0.00 O ATOM 1313 CB GLU A 91 -8.373 -1.486 -15.777 1.00 0.00 C ATOM 1314 CG GLU A 91 -7.570 -2.172 -16.869 1.00 0.00 C ATOM 1315 CD GLU A 91 -7.779 -3.674 -16.890 1.00 0.00 C ATOM 1316 OE1 GLU A 91 -8.717 -4.134 -17.574 1.00 0.00 O ATOM 1317 OE2 GLU A 91 -7.003 -4.390 -16.222 1.00 0.00 O ATOM 0 H GLU A 91 -6.060 -1.037 -14.981 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.798 0.503 -16.355 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.345 -2.100 -14.877 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.416 -1.424 -16.089 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.850 -1.756 -17.837 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.511 -1.958 -16.725 1.00 0.00 H new ATOM 1324 N TRP A 92 -8.644 0.439 -13.199 1.00 0.00 N ATOM 1325 CA TRP A 92 -9.513 1.047 -12.198 1.00 0.00 C ATOM 1326 C TRP A 92 -9.477 2.568 -12.296 1.00 0.00 C ATOM 1327 O TRP A 92 -10.517 3.226 -12.253 1.00 0.00 O ATOM 1328 CB TRP A 92 -9.095 0.604 -10.795 1.00 0.00 C ATOM 1329 CG TRP A 92 -7.739 1.101 -10.394 1.00 0.00 C ATOM 1330 CD1 TRP A 92 -6.587 0.371 -10.321 1.00 0.00 C ATOM 1331 CD2 TRP A 92 -7.394 2.437 -10.010 1.00 0.00 C ATOM 1332 NE1 TRP A 92 -5.547 1.172 -9.915 1.00 0.00 N ATOM 1333 CE2 TRP A 92 -6.016 2.444 -9.719 1.00 0.00 C ATOM 1334 CE3 TRP A 92 -8.115 3.627 -9.886 1.00 0.00 C ATOM 1335 CZ2 TRP A 92 -5.348 3.595 -9.310 1.00 0.00 C ATOM 1336 CZ3 TRP A 92 -7.451 4.769 -9.481 1.00 0.00 C ATOM 1337 CH2 TRP A 92 -6.079 4.747 -9.197 1.00 0.00 C ATOM 0 H TRP A 92 -7.880 -0.116 -12.813 1.00 0.00 H new ATOM 0 HA TRP A 92 -10.533 0.714 -12.388 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -9.832 0.960 -10.075 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -9.103 -0.485 -10.748 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -6.505 -0.682 -10.549 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -4.582 0.869 -9.781 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -9.173 3.654 -10.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.291 3.580 -9.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -7.999 5.694 -9.382 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -5.589 5.657 -8.883 1.00 0.00 H new ATOM 1348 N TYR A 93 -8.276 3.120 -12.429 1.00 0.00 N ATOM 1349 CA TYR A 93 -8.106 4.564 -12.532 1.00 0.00 C ATOM 1350 C TYR A 93 -8.397 5.048 -13.949 1.00 0.00 C ATOM 1351 O TYR A 93 -8.882 6.162 -14.150 1.00 0.00 O ATOM 1352 CB TYR A 93 -6.685 4.961 -12.128 1.00 0.00 C ATOM 1353 CG TYR A 93 -5.732 5.073 -13.296 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -5.929 6.023 -14.291 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -4.634 4.228 -13.405 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -5.061 6.128 -15.360 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -3.760 4.327 -14.470 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.978 5.278 -15.445 1.00 0.00 C ATOM 1359 OH TYR A 93 -3.110 5.380 -16.508 1.00 0.00 O ATOM 0 H TYR A 93 -7.406 2.589 -12.468 1.00 0.00 H new ATOM 0 HA TYR A 93 -8.816 5.037 -11.853 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.719 5.917 -11.605 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -6.298 4.225 -11.423 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.775 6.691 -14.227 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.461 3.481 -12.644 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.229 6.871 -16.125 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.911 3.663 -14.539 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.270 4.642 -17.133 1.00 0.00 H new ATOM 1369 N PHE A 94 -8.099 4.201 -14.929 1.00 0.00 N ATOM 1370 CA PHE A 94 -8.328 4.541 -16.329 1.00 0.00 C ATOM 1371 C PHE A 94 -9.808 4.811 -16.588 1.00 0.00 C ATOM 1372 O PHE A 94 -10.168 5.811 -17.206 1.00 0.00 O ATOM 1373 CB PHE A 94 -7.838 3.411 -17.237 1.00 0.00 C ATOM 1374 CG PHE A 94 -6.412 3.574 -17.679 1.00 0.00 C ATOM 1375 CD1 PHE A 94 -6.100 4.351 -18.783 1.00 0.00 C ATOM 1376 CD2 PHE A 94 -5.383 2.950 -16.992 1.00 0.00 C ATOM 1377 CE1 PHE A 94 -4.789 4.503 -19.193 1.00 0.00 C ATOM 1378 CE2 PHE A 94 -4.070 3.099 -17.397 1.00 0.00 C ATOM 1379 CZ PHE A 94 -3.773 3.875 -18.500 1.00 0.00 C ATOM 0 H PHE A 94 -7.699 3.275 -14.780 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.766 5.448 -16.553 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.941 2.462 -16.711 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.479 3.359 -18.117 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.891 4.844 -19.330 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.610 2.340 -16.130 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.559 5.112 -20.055 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.277 2.609 -16.851 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.748 3.991 -18.820 1.00 0.00 H new