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 78 SER OG : rot -113:sc= 0.477 USER MOD Set 1.2: A 79 ASN : amide:sc= -0.359 K(o=0.12,f=-2.7!) USER MOD Set 2.1: A 67 SER OG : rot 96:sc= 0.936 USER MOD Set 2.2: A 70 THR OG1 : rot -110:sc= -0.699 USER MOD Single : A 28 THR OG1 : rot 35:sc= 0.201 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 77:sc= 0.0988 USER MOD Single : A 40 THR OG1 : rot -65:sc= -0.641 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : 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= 0.398 K(o=0.4,f=-3.2!) USER MOD Single : A 56 ASN : amide:sc=-0.00424 K(o=-0.0042,f=-2.3!) USER MOD Single : A 57 ASN : amide:sc= -1.51 K(o=-1.5,f=-2.1!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -174:sc= -0.489 (180deg=-0.624) 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 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= -0.181 X(o=-0.18,f=0) USER MOD Single : A 93 TYR OH : rot -140:sc= -0.124! USER MOD ----------------------------------------------------------------- ATOM 324 N THR A 28 7.722 2.926 -0.814 1.00 0.00 N ATOM 325 CA THR A 28 7.002 2.817 -2.077 1.00 0.00 C ATOM 326 C THR A 28 5.503 3.008 -1.873 1.00 0.00 C ATOM 327 O THR A 28 4.921 2.466 -0.933 1.00 0.00 O ATOM 328 CB THR A 28 7.247 1.452 -2.747 1.00 0.00 C ATOM 329 OG1 THR A 28 8.652 1.175 -2.794 1.00 0.00 O ATOM 330 CG2 THR A 28 6.674 1.430 -4.156 1.00 0.00 C ATOM 0 HA THR A 28 7.381 3.606 -2.727 1.00 0.00 H new ATOM 0 HB THR A 28 6.745 0.686 -2.156 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.084 1.540 -1.994 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.859 0.456 -4.609 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.600 1.613 -4.115 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.151 2.205 -4.755 1.00 0.00 H new ATOM 338 N ILE A 29 4.885 3.781 -2.759 1.00 0.00 N ATOM 339 CA ILE A 29 3.453 4.041 -2.677 1.00 0.00 C ATOM 340 C ILE A 29 2.648 2.856 -3.199 1.00 0.00 C ATOM 341 O ILE A 29 3.001 2.249 -4.210 1.00 0.00 O ATOM 342 CB ILE A 29 3.063 5.302 -3.471 1.00 0.00 C ATOM 343 CG1 ILE A 29 3.474 6.561 -2.704 1.00 0.00 C ATOM 344 CG2 ILE A 29 1.568 5.310 -3.752 1.00 0.00 C ATOM 345 CD1 ILE A 29 2.821 6.681 -1.345 1.00 0.00 C ATOM 0 H ILE A 29 5.353 4.238 -3.542 1.00 0.00 H new ATOM 0 HA ILE A 29 3.221 4.199 -1.624 1.00 0.00 H new ATOM 0 HB ILE A 29 3.591 5.291 -4.424 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.557 6.563 -2.579 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.220 7.438 -3.299 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.308 6.207 -4.314 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.303 4.428 -4.334 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.021 5.301 -2.809 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.158 7.596 -0.859 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.738 6.711 -1.463 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.096 5.822 -0.732 1.00 0.00 H new ATOM 357 N PHE A 30 1.562 2.533 -2.503 1.00 0.00 N ATOM 358 CA PHE A 30 0.705 1.421 -2.897 1.00 0.00 C ATOM 359 C PHE A 30 -0.766 1.767 -2.685 1.00 0.00 C ATOM 360 O PHE A 30 -1.125 2.431 -1.713 1.00 0.00 O ATOM 361 CB PHE A 30 1.066 0.165 -2.101 1.00 0.00 C ATOM 362 CG PHE A 30 2.186 -0.629 -2.710 1.00 0.00 C ATOM 363 CD1 PHE A 30 3.486 -0.149 -2.685 1.00 0.00 C ATOM 364 CD2 PHE A 30 1.940 -1.855 -3.305 1.00 0.00 C ATOM 365 CE1 PHE A 30 4.518 -0.877 -3.245 1.00 0.00 C ATOM 366 CE2 PHE A 30 2.969 -2.588 -3.866 1.00 0.00 C ATOM 367 CZ PHE A 30 4.260 -2.099 -3.835 1.00 0.00 C ATOM 0 H PHE A 30 1.255 3.025 -1.664 1.00 0.00 H new ATOM 0 HA PHE A 30 0.865 1.229 -3.958 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.345 0.454 -1.088 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.184 -0.470 -2.019 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.694 0.805 -2.223 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.932 -2.243 -3.331 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.526 -0.491 -3.221 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.763 -3.542 -4.328 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.066 -2.671 -4.271 1.00 0.00 H new ATOM 377 N VAL A 31 -1.613 1.311 -3.602 1.00 0.00 N ATOM 378 CA VAL A 31 -3.045 1.570 -3.516 1.00 0.00 C ATOM 379 C VAL A 31 -3.834 0.270 -3.411 1.00 0.00 C ATOM 380 O VAL A 31 -3.451 -0.748 -3.987 1.00 0.00 O ATOM 381 CB VAL A 31 -3.546 2.365 -4.737 1.00 0.00 C ATOM 382 CG1 VAL A 31 -5.035 2.135 -4.950 1.00 0.00 C ATOM 383 CG2 VAL A 31 -3.246 3.846 -4.568 1.00 0.00 C ATOM 0 H VAL A 31 -1.332 0.760 -4.413 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.206 2.162 -2.615 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.018 2.009 -5.622 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.371 2.704 -5.817 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.219 1.074 -5.120 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.584 2.461 -4.067 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.607 4.392 -5.440 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.746 4.219 -3.674 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.170 3.990 -4.469 1.00 0.00 H new ATOM 393 N ALA A 32 -4.938 0.312 -2.673 1.00 0.00 N ATOM 394 CA ALA A 32 -5.783 -0.863 -2.495 1.00 0.00 C ATOM 395 C ALA A 32 -6.887 -0.910 -3.546 1.00 0.00 C ATOM 396 O ALA A 32 -7.810 -0.094 -3.529 1.00 0.00 O ATOM 397 CB ALA A 32 -6.383 -0.874 -1.096 1.00 0.00 C ATOM 0 H ALA A 32 -5.268 1.147 -2.189 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.161 -1.749 -2.619 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.012 -1.756 -0.977 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.582 -0.896 -0.357 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.985 0.023 -0.951 1.00 0.00 H new ATOM 403 N LEU A 33 -6.787 -1.868 -4.460 1.00 0.00 N ATOM 404 CA LEU A 33 -7.777 -2.022 -5.520 1.00 0.00 C ATOM 405 C LEU A 33 -9.071 -2.617 -4.975 1.00 0.00 C ATOM 406 O LEU A 33 -10.161 -2.299 -5.450 1.00 0.00 O ATOM 407 CB LEU A 33 -7.224 -2.909 -6.637 1.00 0.00 C ATOM 408 CG LEU A 33 -5.775 -2.645 -7.048 1.00 0.00 C ATOM 409 CD1 LEU A 33 -5.290 -3.720 -8.009 1.00 0.00 C ATOM 410 CD2 LEU A 33 -5.642 -1.266 -7.677 1.00 0.00 C ATOM 0 H LEU A 33 -6.030 -2.551 -4.489 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.996 -1.034 -5.925 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.308 -3.949 -6.323 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.858 -2.790 -7.516 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.152 -2.676 -6.154 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.257 -3.517 -8.291 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.349 -4.695 -7.524 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.916 -3.720 -8.901 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.604 -1.095 -7.963 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.277 -1.207 -8.561 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.950 -0.507 -6.958 1.00 0.00 H new ATOM 422 N TYR A 34 -8.942 -3.481 -3.974 1.00 0.00 N ATOM 423 CA TYR A 34 -10.101 -4.122 -3.364 1.00 0.00 C ATOM 424 C TYR A 34 -10.204 -3.766 -1.884 1.00 0.00 C ATOM 425 O TYR A 34 -9.194 -3.559 -1.211 1.00 0.00 O ATOM 426 CB TYR A 34 -10.017 -5.640 -3.530 1.00 0.00 C ATOM 427 CG TYR A 34 -9.313 -6.073 -4.796 1.00 0.00 C ATOM 428 CD1 TYR A 34 -9.987 -6.109 -6.011 1.00 0.00 C ATOM 429 CD2 TYR A 34 -7.975 -6.447 -4.777 1.00 0.00 C ATOM 430 CE1 TYR A 34 -9.348 -6.504 -7.170 1.00 0.00 C ATOM 431 CE2 TYR A 34 -7.328 -6.842 -5.932 1.00 0.00 C ATOM 432 CZ TYR A 34 -8.018 -6.869 -7.125 1.00 0.00 C ATOM 433 OH TYR A 34 -7.377 -7.264 -8.277 1.00 0.00 O ATOM 0 H TYR A 34 -8.047 -3.753 -3.568 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.995 -3.757 -3.870 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.495 -6.063 -2.671 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.025 -6.054 -3.525 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.028 -5.823 -6.049 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.432 -6.429 -3.844 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.886 -6.527 -8.106 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.287 -7.128 -5.900 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.445 -7.486 -8.073 1.00 0.00 H new ATOM 443 N ASP A 35 -11.433 -3.696 -1.383 1.00 0.00 N ATOM 444 CA ASP A 35 -11.670 -3.366 0.018 1.00 0.00 C ATOM 445 C ASP A 35 -11.442 -4.584 0.908 1.00 0.00 C ATOM 446 O ASP A 35 -12.140 -5.592 0.790 1.00 0.00 O ATOM 447 CB ASP A 35 -13.094 -2.841 0.206 1.00 0.00 C ATOM 448 CG ASP A 35 -14.108 -3.605 -0.623 1.00 0.00 C ATOM 449 OD1 ASP A 35 -14.151 -4.848 -0.511 1.00 0.00 O ATOM 450 OD2 ASP A 35 -14.858 -2.960 -1.384 1.00 0.00 O ATOM 0 H ASP A 35 -12.280 -3.863 -1.926 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.963 -2.588 0.308 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.366 -2.908 1.259 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.128 -1.786 -0.066 1.00 0.00 H new ATOM 455 N TYR A 36 -10.462 -4.483 1.798 1.00 0.00 N ATOM 456 CA TYR A 36 -10.139 -5.577 2.707 1.00 0.00 C ATOM 457 C TYR A 36 -10.428 -5.188 4.153 1.00 0.00 C ATOM 458 O TYR A 36 -10.560 -4.007 4.474 1.00 0.00 O ATOM 459 CB TYR A 36 -8.670 -5.976 2.558 1.00 0.00 C ATOM 460 CG TYR A 36 -8.189 -6.930 3.628 1.00 0.00 C ATOM 461 CD1 TYR A 36 -8.417 -8.296 3.521 1.00 0.00 C ATOM 462 CD2 TYR A 36 -7.508 -6.465 4.746 1.00 0.00 C ATOM 463 CE1 TYR A 36 -7.981 -9.172 4.497 1.00 0.00 C ATOM 464 CE2 TYR A 36 -7.067 -7.333 5.726 1.00 0.00 C ATOM 465 CZ TYR A 36 -7.306 -8.685 5.597 1.00 0.00 C ATOM 466 OH TYR A 36 -6.869 -9.553 6.571 1.00 0.00 O ATOM 0 H TYR A 36 -9.877 -3.655 1.910 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.768 -6.429 2.447 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.525 -6.437 1.581 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.054 -5.077 2.581 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.944 -8.680 2.660 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.320 -5.407 4.851 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.168 -10.231 4.399 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.538 -6.955 6.588 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.062 -10.014 6.260 1.00 0.00 H new ATOM 476 N GLU A 37 -10.523 -6.190 5.022 1.00 0.00 N ATOM 477 CA GLU A 37 -10.796 -5.952 6.434 1.00 0.00 C ATOM 478 C GLU A 37 -9.812 -6.717 7.315 1.00 0.00 C ATOM 479 O GLU A 37 -9.716 -7.941 7.238 1.00 0.00 O ATOM 480 CB GLU A 37 -12.229 -6.364 6.776 1.00 0.00 C ATOM 481 CG GLU A 37 -12.822 -5.592 7.943 1.00 0.00 C ATOM 482 CD GLU A 37 -14.263 -5.974 8.222 1.00 0.00 C ATOM 483 OE1 GLU A 37 -15.123 -5.718 7.353 1.00 0.00 O ATOM 484 OE2 GLU A 37 -14.531 -6.527 9.309 1.00 0.00 O ATOM 0 H GLU A 37 -10.415 -7.173 4.773 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.676 -4.886 6.626 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.859 -6.220 5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.246 -7.429 7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.223 -5.772 8.835 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.767 -4.524 7.733 1.00 0.00 H new ATOM 491 N ALA A 38 -9.081 -5.985 8.150 1.00 0.00 N ATOM 492 CA ALA A 38 -8.106 -6.593 9.046 1.00 0.00 C ATOM 493 C ALA A 38 -8.730 -7.731 9.846 1.00 0.00 C ATOM 494 O ALA A 38 -9.718 -7.535 10.554 1.00 0.00 O ATOM 495 CB ALA A 38 -7.523 -5.545 9.981 1.00 0.00 C ATOM 0 H ALA A 38 -9.146 -4.970 8.224 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.302 -7.009 8.439 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.796 -6.013 10.645 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.032 -4.768 9.395 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.323 -5.101 10.574 1.00 0.00 H new ATOM 501 N ARG A 39 -8.148 -8.920 9.729 1.00 0.00 N ATOM 502 CA ARG A 39 -8.650 -10.090 10.441 1.00 0.00 C ATOM 503 C ARG A 39 -8.219 -10.061 11.904 1.00 0.00 C ATOM 504 O ARG A 39 -8.974 -10.456 12.793 1.00 0.00 O ATOM 505 CB ARG A 39 -8.147 -11.372 9.775 1.00 0.00 C ATOM 506 CG ARG A 39 -9.041 -11.864 8.649 1.00 0.00 C ATOM 507 CD ARG A 39 -8.517 -13.158 8.047 1.00 0.00 C ATOM 508 NE ARG A 39 -9.021 -14.334 8.753 1.00 0.00 N ATOM 509 CZ ARG A 39 -10.290 -14.725 8.716 1.00 0.00 C ATOM 510 NH1 ARG A 39 -11.179 -14.039 8.012 1.00 0.00 N ATOM 511 NH2 ARG A 39 -10.671 -15.806 9.385 1.00 0.00 N ATOM 0 H ARG A 39 -7.329 -9.099 9.148 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.739 -10.071 10.400 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.145 -11.199 9.383 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.063 -12.154 10.529 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.051 -12.020 9.027 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.105 -11.100 7.874 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.807 -13.213 6.998 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.427 -13.157 8.077 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.363 -14.885 9.304 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.890 -13.208 7.496 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.153 -14.342 7.986 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.989 -16.337 9.928 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.645 -16.106 9.357 1.00 0.00 H new ATOM 525 N THR A 40 -6.999 -9.592 12.148 1.00 0.00 N ATOM 526 CA THR A 40 -6.467 -9.513 13.503 1.00 0.00 C ATOM 527 C THR A 40 -5.820 -8.157 13.761 1.00 0.00 C ATOM 528 O THR A 40 -5.874 -7.260 12.920 1.00 0.00 O ATOM 529 CB THR A 40 -5.431 -10.623 13.765 1.00 0.00 C ATOM 530 OG1 THR A 40 -4.279 -10.422 12.939 1.00 0.00 O ATOM 531 CG2 THR A 40 -6.026 -11.995 13.488 1.00 0.00 C ATOM 0 H THR A 40 -6.361 -9.261 11.425 1.00 0.00 H new ATOM 0 HA THR A 40 -7.309 -9.645 14.182 1.00 0.00 H new ATOM 0 HB THR A 40 -5.139 -10.576 14.814 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.529 -10.529 11.997 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.276 -12.762 13.680 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.886 -12.157 14.138 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.344 -12.050 12.447 1.00 0.00 H new ATOM 539 N THR A 41 -5.205 -8.014 14.932 1.00 0.00 N ATOM 540 CA THR A 41 -4.547 -6.767 15.301 1.00 0.00 C ATOM 541 C THR A 41 -3.265 -6.564 14.502 1.00 0.00 C ATOM 542 O THR A 41 -2.887 -5.433 14.196 1.00 0.00 O ATOM 543 CB THR A 41 -4.212 -6.733 16.804 1.00 0.00 C ATOM 544 OG1 THR A 41 -3.374 -5.609 17.094 1.00 0.00 O ATOM 545 CG2 THR A 41 -3.514 -8.016 17.232 1.00 0.00 C ATOM 0 H THR A 41 -5.149 -8.746 15.640 1.00 0.00 H new ATOM 0 HA THR A 41 -5.245 -5.962 15.073 1.00 0.00 H new ATOM 0 HB THR A 41 -5.145 -6.643 17.360 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.167 -5.594 18.052 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.287 -7.969 18.297 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.166 -8.867 17.037 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.588 -8.132 16.669 1.00 0.00 H new ATOM 553 N GLU A 42 -2.602 -7.665 14.165 1.00 0.00 N ATOM 554 CA GLU A 42 -1.362 -7.606 13.400 1.00 0.00 C ATOM 555 C GLU A 42 -1.640 -7.265 11.939 1.00 0.00 C ATOM 556 O GLU A 42 -0.755 -6.801 11.220 1.00 0.00 O ATOM 557 CB GLU A 42 -0.616 -8.939 13.492 1.00 0.00 C ATOM 558 CG GLU A 42 -1.049 -9.952 12.445 1.00 0.00 C ATOM 559 CD GLU A 42 -0.149 -11.171 12.406 1.00 0.00 C ATOM 560 OE1 GLU A 42 0.905 -11.110 11.740 1.00 0.00 O ATOM 561 OE2 GLU A 42 -0.499 -12.188 13.042 1.00 0.00 O ATOM 0 H GLU A 42 -2.902 -8.609 14.409 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.739 -6.820 13.826 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.453 -8.755 13.387 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.771 -9.365 14.483 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.072 -10.267 12.651 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.053 -9.476 11.464 1.00 0.00 H new ATOM 568 N ASP A 43 -2.874 -7.500 11.507 1.00 0.00 N ATOM 569 CA ASP A 43 -3.270 -7.218 10.133 1.00 0.00 C ATOM 570 C ASP A 43 -3.716 -5.767 9.982 1.00 0.00 C ATOM 571 O ASP A 43 -4.380 -5.216 10.862 1.00 0.00 O ATOM 572 CB ASP A 43 -4.396 -8.158 9.700 1.00 0.00 C ATOM 573 CG ASP A 43 -3.878 -9.503 9.229 1.00 0.00 C ATOM 574 OD1 ASP A 43 -3.365 -9.576 8.092 1.00 0.00 O ATOM 575 OD2 ASP A 43 -3.985 -10.482 9.997 1.00 0.00 O ATOM 0 H ASP A 43 -3.618 -7.885 12.089 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.404 -7.382 9.492 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.081 -8.308 10.534 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.967 -7.691 8.898 1.00 0.00 H new ATOM 580 N LEU A 44 -3.347 -5.153 8.864 1.00 0.00 N ATOM 581 CA LEU A 44 -3.709 -3.765 8.598 1.00 0.00 C ATOM 582 C LEU A 44 -5.037 -3.681 7.854 1.00 0.00 C ATOM 583 O LEU A 44 -5.218 -4.311 6.812 1.00 0.00 O ATOM 584 CB LEU A 44 -2.611 -3.078 7.784 1.00 0.00 C ATOM 585 CG LEU A 44 -2.445 -1.575 8.014 1.00 0.00 C ATOM 586 CD1 LEU A 44 -1.690 -0.938 6.858 1.00 0.00 C ATOM 587 CD2 LEU A 44 -3.802 -0.911 8.198 1.00 0.00 C ATOM 0 H LEU A 44 -2.797 -5.594 8.127 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.817 -3.254 9.555 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.662 -3.566 8.007 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.814 -3.243 6.726 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.864 -1.428 8.925 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.582 0.131 7.039 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.703 -1.393 6.773 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.243 -1.095 5.932 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.665 0.158 8.361 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.408 -1.068 7.305 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.307 -1.347 9.060 1.00 0.00 H new ATOM 599 N SER A 45 -5.964 -2.896 8.395 1.00 0.00 N ATOM 600 CA SER A 45 -7.277 -2.730 7.783 1.00 0.00 C ATOM 601 C SER A 45 -7.269 -1.579 6.782 1.00 0.00 C ATOM 602 O SER A 45 -7.125 -0.416 7.157 1.00 0.00 O ATOM 603 CB SER A 45 -8.337 -2.479 8.858 1.00 0.00 C ATOM 604 OG SER A 45 -7.986 -1.372 9.669 1.00 0.00 O ATOM 0 H SER A 45 -5.830 -2.365 9.256 1.00 0.00 H new ATOM 0 HA SER A 45 -7.521 -3.649 7.251 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.303 -2.297 8.386 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.448 -3.368 9.479 1.00 0.00 H new ATOM 0 HG SER A 45 -8.679 -1.230 10.347 1.00 0.00 H new ATOM 610 N PHE A 46 -7.425 -1.912 5.505 1.00 0.00 N ATOM 611 CA PHE A 46 -7.434 -0.907 4.448 1.00 0.00 C ATOM 612 C PHE A 46 -8.733 -0.970 3.650 1.00 0.00 C ATOM 613 O PHE A 46 -9.516 -1.910 3.787 1.00 0.00 O ATOM 614 CB PHE A 46 -6.239 -1.107 3.514 1.00 0.00 C ATOM 615 CG PHE A 46 -6.067 -2.527 3.056 1.00 0.00 C ATOM 616 CD1 PHE A 46 -5.545 -3.486 3.908 1.00 0.00 C ATOM 617 CD2 PHE A 46 -6.428 -2.903 1.772 1.00 0.00 C ATOM 618 CE1 PHE A 46 -5.386 -4.793 3.489 1.00 0.00 C ATOM 619 CE2 PHE A 46 -6.271 -4.209 1.346 1.00 0.00 C ATOM 620 CZ PHE A 46 -5.750 -5.155 2.206 1.00 0.00 C ATOM 0 H PHE A 46 -7.547 -2.870 5.177 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.361 0.075 4.914 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.358 -0.464 2.642 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.331 -0.786 4.025 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.259 -3.209 4.912 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.837 -2.167 1.096 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.978 -5.531 4.164 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.555 -4.489 0.342 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.627 -6.176 1.877 1.00 0.00 H new ATOM 630 N LYS A 47 -8.957 0.040 2.815 1.00 0.00 N ATOM 631 CA LYS A 47 -10.160 0.102 1.994 1.00 0.00 C ATOM 632 C LYS A 47 -9.807 0.346 0.530 1.00 0.00 C ATOM 633 O LYS A 47 -8.687 0.743 0.209 1.00 0.00 O ATOM 634 CB LYS A 47 -11.089 1.208 2.497 1.00 0.00 C ATOM 635 CG LYS A 47 -11.897 0.815 3.721 1.00 0.00 C ATOM 636 CD LYS A 47 -13.063 -0.087 3.354 1.00 0.00 C ATOM 637 CE LYS A 47 -13.903 -0.438 4.573 1.00 0.00 C ATOM 638 NZ LYS A 47 -13.335 -1.592 5.324 1.00 0.00 N ATOM 0 H LYS A 47 -8.320 0.827 2.689 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.672 -0.857 2.071 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.495 2.091 2.733 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.773 1.489 1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.251 0.304 4.435 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.271 1.712 4.214 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.688 0.409 2.611 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.687 -1.001 2.895 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.967 0.428 5.232 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.919 -0.674 4.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.936 -1.800 6.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -13.297 -2.426 4.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.375 -1.357 5.647 1.00 0.00 H new ATOM 652 N LYS A 48 -10.770 0.107 -0.354 1.00 0.00 N ATOM 653 CA LYS A 48 -10.563 0.304 -1.784 1.00 0.00 C ATOM 654 C LYS A 48 -10.316 1.775 -2.101 1.00 0.00 C ATOM 655 O LYS A 48 -11.197 2.615 -1.919 1.00 0.00 O ATOM 656 CB LYS A 48 -11.774 -0.203 -2.570 1.00 0.00 C ATOM 657 CG LYS A 48 -11.726 0.140 -4.049 1.00 0.00 C ATOM 658 CD LYS A 48 -12.667 -0.739 -4.856 1.00 0.00 C ATOM 659 CE LYS A 48 -12.432 -0.581 -6.350 1.00 0.00 C ATOM 660 NZ LYS A 48 -13.237 0.533 -6.923 1.00 0.00 N ATOM 0 H LYS A 48 -11.702 -0.224 -0.105 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.682 -0.265 -2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.842 -1.285 -2.459 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.681 0.219 -2.137 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.994 1.187 -4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.708 0.020 -4.419 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.525 -1.782 -4.573 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.700 -0.482 -4.620 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.374 -0.396 -6.534 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.686 -1.511 -6.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.049 0.608 -7.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.248 0.345 -6.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.977 1.425 -6.456 1.00 0.00 H new ATOM 674 N GLY A 49 -9.113 2.080 -2.578 1.00 0.00 N ATOM 675 CA GLY A 49 -8.774 3.450 -2.914 1.00 0.00 C ATOM 676 C GLY A 49 -7.999 4.143 -1.810 1.00 0.00 C ATOM 677 O GLY A 49 -7.977 5.371 -1.736 1.00 0.00 O ATOM 0 H GLY A 49 -8.367 1.403 -2.738 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.183 3.461 -3.830 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.688 4.008 -3.117 1.00 0.00 H new ATOM 681 N GLU A 50 -7.363 3.354 -0.950 1.00 0.00 N ATOM 682 CA GLU A 50 -6.586 3.900 0.156 1.00 0.00 C ATOM 683 C GLU A 50 -5.096 3.638 -0.045 1.00 0.00 C ATOM 684 O GLU A 50 -4.699 2.568 -0.505 1.00 0.00 O ATOM 685 CB GLU A 50 -7.047 3.292 1.482 1.00 0.00 C ATOM 686 CG GLU A 50 -6.693 4.136 2.695 1.00 0.00 C ATOM 687 CD GLU A 50 -7.680 5.263 2.929 1.00 0.00 C ATOM 688 OE1 GLU A 50 -7.653 6.246 2.159 1.00 0.00 O ATOM 689 OE2 GLU A 50 -8.480 5.162 3.883 1.00 0.00 O ATOM 0 H GLU A 50 -7.371 2.335 -0.998 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.748 4.978 0.183 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.127 3.151 1.451 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.600 2.304 1.594 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.658 3.499 3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.695 4.554 2.564 1.00 0.00 H new ATOM 696 N ARG A 51 -4.276 4.624 0.304 1.00 0.00 N ATOM 697 CA ARG A 51 -2.830 4.502 0.161 1.00 0.00 C ATOM 698 C ARG A 51 -2.190 4.048 1.469 1.00 0.00 C ATOM 699 O ARG A 51 -2.806 4.124 2.533 1.00 0.00 O ATOM 700 CB ARG A 51 -2.225 5.837 -0.278 1.00 0.00 C ATOM 701 CG ARG A 51 -2.686 6.292 -1.653 1.00 0.00 C ATOM 702 CD ARG A 51 -1.620 7.122 -2.352 1.00 0.00 C ATOM 703 NE ARG A 51 -2.157 7.851 -3.497 1.00 0.00 N ATOM 704 CZ ARG A 51 -1.586 8.934 -4.012 1.00 0.00 C ATOM 705 NH1 ARG A 51 -0.465 9.410 -3.487 1.00 0.00 N ATOM 706 NH2 ARG A 51 -2.136 9.543 -5.055 1.00 0.00 N ATOM 0 H ARG A 51 -4.588 5.516 0.688 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.628 3.750 -0.602 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.484 6.602 0.454 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.138 5.751 -0.278 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.929 5.422 -2.263 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.600 6.878 -1.556 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.188 7.828 -1.643 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.813 6.469 -2.684 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.018 7.510 -3.925 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.039 8.944 -2.686 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.029 10.242 -3.885 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.998 9.179 -5.462 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.697 10.375 -5.450 1.00 0.00 H new ATOM 720 N PHE A 52 -0.952 3.574 1.383 1.00 0.00 N ATOM 721 CA PHE A 52 -0.229 3.105 2.560 1.00 0.00 C ATOM 722 C PHE A 52 1.274 3.070 2.297 1.00 0.00 C ATOM 723 O PHE A 52 1.718 2.630 1.237 1.00 0.00 O ATOM 724 CB PHE A 52 -0.720 1.714 2.966 1.00 0.00 C ATOM 725 CG PHE A 52 -2.215 1.613 3.072 1.00 0.00 C ATOM 726 CD1 PHE A 52 -2.986 1.345 1.952 1.00 0.00 C ATOM 727 CD2 PHE A 52 -2.850 1.787 4.291 1.00 0.00 C ATOM 728 CE1 PHE A 52 -4.361 1.251 2.046 1.00 0.00 C ATOM 729 CE2 PHE A 52 -4.225 1.694 4.392 1.00 0.00 C ATOM 730 CZ PHE A 52 -4.982 1.427 3.267 1.00 0.00 C ATOM 0 H PHE A 52 -0.428 3.504 0.511 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.421 3.802 3.375 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.365 0.985 2.237 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.277 1.447 3.925 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.506 1.208 0.994 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.263 1.998 5.173 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.950 1.040 1.166 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.707 1.830 5.349 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.057 1.356 3.342 1.00 0.00 H new ATOM 740 N GLN A 53 2.049 3.538 3.270 1.00 0.00 N ATOM 741 CA GLN A 53 3.502 3.561 3.143 1.00 0.00 C ATOM 742 C GLN A 53 4.099 2.196 3.470 1.00 0.00 C ATOM 743 O GLN A 53 4.065 1.752 4.618 1.00 0.00 O ATOM 744 CB GLN A 53 4.098 4.626 4.065 1.00 0.00 C ATOM 745 CG GLN A 53 4.131 6.015 3.449 1.00 0.00 C ATOM 746 CD GLN A 53 4.183 7.115 4.491 1.00 0.00 C ATOM 747 OE1 GLN A 53 3.538 7.027 5.536 1.00 0.00 O ATOM 748 NE2 GLN A 53 4.955 8.159 4.212 1.00 0.00 N ATOM 0 H GLN A 53 1.696 3.906 4.154 1.00 0.00 H new ATOM 0 HA GLN A 53 3.748 3.806 2.110 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.519 4.661 4.988 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.113 4.334 4.336 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.999 6.098 2.795 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.248 6.153 2.825 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.472 8.190 3.333 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.031 8.929 4.876 1.00 0.00 H new ATOM 757 N ILE A 54 4.644 1.536 2.454 1.00 0.00 N ATOM 758 CA ILE A 54 5.249 0.222 2.635 1.00 0.00 C ATOM 759 C ILE A 54 6.491 0.305 3.515 1.00 0.00 C ATOM 760 O ILE A 54 7.551 0.748 3.070 1.00 0.00 O ATOM 761 CB ILE A 54 5.631 -0.412 1.284 1.00 0.00 C ATOM 762 CG1 ILE A 54 4.402 -0.522 0.381 1.00 0.00 C ATOM 763 CG2 ILE A 54 6.260 -1.780 1.501 1.00 0.00 C ATOM 764 CD1 ILE A 54 3.273 -1.322 0.992 1.00 0.00 C ATOM 0 H ILE A 54 4.679 1.889 1.498 1.00 0.00 H new ATOM 0 HA ILE A 54 4.503 -0.405 3.123 1.00 0.00 H new ATOM 0 HB ILE A 54 6.362 0.229 0.792 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.042 0.480 0.148 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.694 -0.983 -0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.525 -2.216 0.538 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.157 -1.675 2.111 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.549 -2.431 2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.435 -1.358 0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.616 -2.335 1.200 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.953 -0.850 1.921 1.00 0.00 H new ATOM 776 N ILE A 55 6.354 -0.126 4.764 1.00 0.00 N ATOM 777 CA ILE A 55 7.467 -0.103 5.706 1.00 0.00 C ATOM 778 C ILE A 55 8.399 -1.290 5.485 1.00 0.00 C ATOM 779 O ILE A 55 9.619 -1.136 5.453 1.00 0.00 O ATOM 780 CB ILE A 55 6.970 -0.120 7.164 1.00 0.00 C ATOM 781 CG1 ILE A 55 5.941 0.990 7.388 1.00 0.00 C ATOM 782 CG2 ILE A 55 8.141 0.034 8.124 1.00 0.00 C ATOM 783 CD1 ILE A 55 4.989 0.710 8.529 1.00 0.00 C ATOM 0 H ILE A 55 5.484 -0.495 5.148 1.00 0.00 H new ATOM 0 HA ILE A 55 8.013 0.823 5.527 1.00 0.00 H new ATOM 0 HB ILE A 55 6.490 -1.079 7.358 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.465 1.926 7.584 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.366 1.132 6.473 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.774 0.020 9.150 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.842 -0.788 7.978 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.647 0.980 7.932 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.288 1.539 8.630 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.438 -0.209 8.326 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.554 0.598 9.455 1.00 0.00 H new ATOM 795 N ASN A 56 7.814 -2.473 5.330 1.00 0.00 N ATOM 796 CA ASN A 56 8.593 -3.687 5.110 1.00 0.00 C ATOM 797 C ASN A 56 7.887 -4.615 4.126 1.00 0.00 C ATOM 798 O ASN A 56 6.705 -4.918 4.282 1.00 0.00 O ATOM 799 CB ASN A 56 8.828 -4.414 6.435 1.00 0.00 C ATOM 800 CG ASN A 56 10.139 -5.178 6.451 1.00 0.00 C ATOM 801 OD1 ASN A 56 10.663 -5.555 5.403 1.00 0.00 O ATOM 802 ND2 ASN A 56 10.674 -5.409 7.644 1.00 0.00 N ATOM 0 H ASN A 56 6.805 -2.617 5.353 1.00 0.00 H new ATOM 0 HA ASN A 56 9.555 -3.400 4.685 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.823 -3.690 7.250 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.005 -5.105 6.618 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.555 -5.918 7.718 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.204 -5.078 8.486 1.00 0.00 H new ATOM 809 N ASN A 57 8.621 -5.063 3.112 1.00 0.00 N ATOM 810 CA ASN A 57 8.066 -5.957 2.103 1.00 0.00 C ATOM 811 C ASN A 57 8.866 -7.253 2.024 1.00 0.00 C ATOM 812 O ASN A 57 9.154 -7.754 0.936 1.00 0.00 O ATOM 813 CB ASN A 57 8.051 -5.270 0.736 1.00 0.00 C ATOM 814 CG ASN A 57 9.440 -4.874 0.273 1.00 0.00 C ATOM 815 OD1 ASN A 57 10.370 -5.679 0.307 1.00 0.00 O ATOM 816 ND2 ASN A 57 9.585 -3.628 -0.164 1.00 0.00 N ATOM 0 H ASN A 57 9.601 -4.821 2.968 1.00 0.00 H new ATOM 0 HA ASN A 57 7.043 -6.200 2.392 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.603 -5.939 0.001 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.420 -4.382 0.785 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.496 -3.304 -0.489 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.785 -2.995 -0.174 1.00 0.00 H new ATOM 823 N THR A 58 9.224 -7.793 3.185 1.00 0.00 N ATOM 824 CA THR A 58 9.991 -9.030 3.249 1.00 0.00 C ATOM 825 C THR A 58 9.095 -10.245 3.034 1.00 0.00 C ATOM 826 O THR A 58 9.460 -11.177 2.318 1.00 0.00 O ATOM 827 CB THR A 58 10.715 -9.173 4.601 1.00 0.00 C ATOM 828 OG1 THR A 58 11.399 -10.430 4.660 1.00 0.00 O ATOM 829 CG2 THR A 58 9.730 -9.072 5.756 1.00 0.00 C ATOM 0 H THR A 58 8.994 -7.392 4.094 1.00 0.00 H new ATOM 0 HA THR A 58 10.732 -8.983 2.451 1.00 0.00 H new ATOM 0 HB THR A 58 11.438 -8.362 4.688 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.858 -10.513 5.522 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.265 -9.176 6.700 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.232 -8.103 5.726 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.987 -9.865 5.671 1.00 0.00 H new ATOM 837 N GLU A 59 7.921 -10.226 3.657 1.00 0.00 N ATOM 838 CA GLU A 59 6.974 -11.327 3.533 1.00 0.00 C ATOM 839 C GLU A 59 6.067 -11.131 2.321 1.00 0.00 C ATOM 840 O GLU A 59 5.118 -10.349 2.363 1.00 0.00 O ATOM 841 CB GLU A 59 6.128 -11.448 4.802 1.00 0.00 C ATOM 842 CG GLU A 59 6.917 -11.906 6.018 1.00 0.00 C ATOM 843 CD GLU A 59 6.059 -12.646 7.025 1.00 0.00 C ATOM 844 OE1 GLU A 59 4.840 -12.382 7.075 1.00 0.00 O ATOM 845 OE2 GLU A 59 6.608 -13.491 7.763 1.00 0.00 O ATOM 0 H GLU A 59 7.603 -9.461 4.252 1.00 0.00 H new ATOM 0 HA GLU A 59 7.543 -12.247 3.395 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.672 -10.482 5.018 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.315 -12.151 4.621 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.732 -12.554 5.695 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.370 -11.040 6.500 1.00 0.00 H new ATOM 852 N GLY A 60 6.367 -11.847 1.242 1.00 0.00 N ATOM 853 CA GLY A 60 5.571 -11.737 0.034 1.00 0.00 C ATOM 854 C GLY A 60 4.086 -11.879 0.303 1.00 0.00 C ATOM 855 O GLY A 60 3.267 -11.208 -0.325 1.00 0.00 O ATOM 0 H GLY A 60 7.147 -12.501 1.183 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.761 -10.772 -0.436 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.884 -12.504 -0.675 1.00 0.00 H new ATOM 859 N ASP A 61 3.737 -12.756 1.238 1.00 0.00 N ATOM 860 CA ASP A 61 2.340 -12.986 1.588 1.00 0.00 C ATOM 861 C ASP A 61 1.689 -11.702 2.094 1.00 0.00 C ATOM 862 O ASP A 61 0.625 -11.306 1.619 1.00 0.00 O ATOM 863 CB ASP A 61 2.232 -14.080 2.651 1.00 0.00 C ATOM 864 CG ASP A 61 2.794 -15.406 2.177 1.00 0.00 C ATOM 865 OD1 ASP A 61 2.075 -16.131 1.457 1.00 0.00 O ATOM 866 OD2 ASP A 61 3.952 -15.717 2.524 1.00 0.00 O ATOM 0 H ASP A 61 4.402 -13.319 1.767 1.00 0.00 H new ATOM 0 HA ASP A 61 1.814 -13.310 0.690 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.763 -13.764 3.549 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.186 -14.211 2.929 1.00 0.00 H new ATOM 871 N TRP A 62 2.335 -11.058 3.059 1.00 0.00 N ATOM 872 CA TRP A 62 1.818 -9.819 3.629 1.00 0.00 C ATOM 873 C TRP A 62 2.944 -8.819 3.870 1.00 0.00 C ATOM 874 O TRP A 62 4.021 -9.185 4.340 1.00 0.00 O ATOM 875 CB TRP A 62 1.084 -10.105 4.941 1.00 0.00 C ATOM 876 CG TRP A 62 0.005 -11.136 4.805 1.00 0.00 C ATOM 877 CD1 TRP A 62 0.173 -12.472 4.576 1.00 0.00 C ATOM 878 CD2 TRP A 62 -1.407 -10.915 4.887 1.00 0.00 C ATOM 879 NE1 TRP A 62 -1.050 -13.095 4.511 1.00 0.00 N ATOM 880 CE2 TRP A 62 -2.035 -12.162 4.700 1.00 0.00 C ATOM 881 CE3 TRP A 62 -2.201 -9.786 5.103 1.00 0.00 C ATOM 882 CZ2 TRP A 62 -3.420 -12.308 4.721 1.00 0.00 C ATOM 883 CZ3 TRP A 62 -3.575 -9.932 5.123 1.00 0.00 C ATOM 884 CH2 TRP A 62 -4.173 -11.185 4.934 1.00 0.00 C ATOM 0 H TRP A 62 3.217 -11.373 3.463 1.00 0.00 H new ATOM 0 HA TRP A 62 1.118 -9.384 2.916 1.00 0.00 H new ATOM 0 HB2 TRP A 62 1.805 -10.440 5.687 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.647 -9.179 5.314 1.00 0.00 H new ATOM 0 HD1 TRP A 62 1.127 -12.966 4.463 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -1.200 -14.091 4.348 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -1.749 -8.816 5.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -3.883 -13.273 4.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.199 -9.066 5.287 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.250 -11.266 4.957 1.00 0.00 H new ATOM 895 N TRP A 63 2.688 -7.557 3.546 1.00 0.00 N ATOM 896 CA TRP A 63 3.681 -6.505 3.727 1.00 0.00 C ATOM 897 C TRP A 63 3.257 -5.540 4.829 1.00 0.00 C ATOM 898 O TRP A 63 2.066 -5.308 5.038 1.00 0.00 O ATOM 899 CB TRP A 63 3.891 -5.742 2.418 1.00 0.00 C ATOM 900 CG TRP A 63 4.480 -6.585 1.328 1.00 0.00 C ATOM 901 CD1 TRP A 63 5.259 -7.696 1.481 1.00 0.00 C ATOM 902 CD2 TRP A 63 4.338 -6.383 -0.082 1.00 0.00 C ATOM 903 NE1 TRP A 63 5.610 -8.197 0.251 1.00 0.00 N ATOM 904 CE2 TRP A 63 5.057 -7.411 -0.724 1.00 0.00 C ATOM 905 CE3 TRP A 63 3.672 -5.437 -0.865 1.00 0.00 C ATOM 906 CZ2 TRP A 63 5.128 -7.515 -2.111 1.00 0.00 C ATOM 907 CZ3 TRP A 63 3.743 -5.541 -2.241 1.00 0.00 C ATOM 908 CH2 TRP A 63 4.466 -6.574 -2.853 1.00 0.00 C ATOM 0 H TRP A 63 1.801 -7.237 3.157 1.00 0.00 H new ATOM 0 HA TRP A 63 4.620 -6.974 4.021 1.00 0.00 H new ATOM 0 HB2 TRP A 63 2.935 -5.342 2.082 1.00 0.00 H new ATOM 0 HB3 TRP A 63 4.546 -4.890 2.603 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.556 -8.119 2.430 1.00 0.00 H new ATOM 0 HE1 TRP A 63 6.189 -9.021 0.090 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.111 -4.638 -0.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 5.685 -8.310 -2.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 3.233 -4.814 -2.855 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.502 -6.629 -3.931 1.00 0.00 H new ATOM 919 N GLU A 64 4.238 -4.982 5.532 1.00 0.00 N ATOM 920 CA GLU A 64 3.963 -4.043 6.613 1.00 0.00 C ATOM 921 C GLU A 64 3.946 -2.607 6.096 1.00 0.00 C ATOM 922 O GLU A 64 4.961 -2.093 5.626 1.00 0.00 O ATOM 923 CB GLU A 64 5.010 -4.185 7.720 1.00 0.00 C ATOM 924 CG GLU A 64 4.688 -3.382 8.969 1.00 0.00 C ATOM 925 CD GLU A 64 5.689 -3.612 10.084 1.00 0.00 C ATOM 926 OE1 GLU A 64 6.807 -3.061 10.001 1.00 0.00 O ATOM 927 OE2 GLU A 64 5.355 -4.342 11.041 1.00 0.00 O ATOM 0 H GLU A 64 5.229 -5.164 5.372 1.00 0.00 H new ATOM 0 HA GLU A 64 2.979 -4.276 7.020 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.102 -5.237 7.989 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.979 -3.868 7.335 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.666 -2.321 8.719 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.691 -3.648 9.320 1.00 0.00 H new ATOM 934 N ALA A 65 2.785 -1.966 6.186 1.00 0.00 N ATOM 935 CA ALA A 65 2.635 -0.590 5.728 1.00 0.00 C ATOM 936 C ALA A 65 1.852 0.242 6.739 1.00 0.00 C ATOM 937 O ALA A 65 1.126 -0.299 7.572 1.00 0.00 O ATOM 938 CB ALA A 65 1.950 -0.557 4.370 1.00 0.00 C ATOM 0 H ALA A 65 1.935 -2.377 6.572 1.00 0.00 H new ATOM 0 HA ALA A 65 3.630 -0.155 5.631 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.845 0.477 4.041 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.550 -1.109 3.646 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.964 -1.015 4.449 1.00 0.00 H new ATOM 944 N ARG A 66 2.006 1.559 6.659 1.00 0.00 N ATOM 945 CA ARG A 66 1.314 2.466 7.568 1.00 0.00 C ATOM 946 C ARG A 66 0.455 3.461 6.793 1.00 0.00 C ATOM 947 O ARG A 66 0.972 4.387 6.168 1.00 0.00 O ATOM 948 CB ARG A 66 2.323 3.216 8.439 1.00 0.00 C ATOM 949 CG ARG A 66 1.692 4.276 9.327 1.00 0.00 C ATOM 950 CD ARG A 66 2.736 5.229 9.886 1.00 0.00 C ATOM 951 NE ARG A 66 3.484 5.903 8.828 1.00 0.00 N ATOM 952 CZ ARG A 66 4.394 6.843 9.056 1.00 0.00 C ATOM 953 NH1 ARG A 66 4.668 7.218 10.298 1.00 0.00 N ATOM 954 NH2 ARG A 66 5.033 7.410 8.040 1.00 0.00 N ATOM 0 H ARG A 66 2.604 2.022 5.974 1.00 0.00 H new ATOM 0 HA ARG A 66 0.662 1.872 8.209 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.854 2.499 9.065 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.065 3.688 7.796 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.954 4.838 8.755 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.160 3.795 10.148 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.248 5.973 10.515 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.427 4.677 10.523 1.00 0.00 H new ATOM 0 HE ARG A 66 3.297 5.637 7.861 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.179 6.784 11.081 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.367 7.940 10.470 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.825 7.124 7.083 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.732 8.132 8.216 1.00 0.00 H new ATOM 968 N SER A 67 -0.858 3.264 6.840 1.00 0.00 N ATOM 969 CA SER A 67 -1.788 4.141 6.140 1.00 0.00 C ATOM 970 C SER A 67 -1.438 5.607 6.380 1.00 0.00 C ATOM 971 O SER A 67 -1.085 5.997 7.493 1.00 0.00 O ATOM 972 CB SER A 67 -3.223 3.867 6.595 1.00 0.00 C ATOM 973 OG SER A 67 -4.160 4.476 5.725 1.00 0.00 O ATOM 0 H SER A 67 -1.302 2.504 7.356 1.00 0.00 H new ATOM 0 HA SER A 67 -1.708 3.936 5.073 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.398 2.792 6.628 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.365 4.244 7.608 1.00 0.00 H new ATOM 0 HG SER A 67 -4.461 3.823 5.060 1.00 0.00 H new ATOM 979 N ILE A 68 -1.539 6.412 5.328 1.00 0.00 N ATOM 980 CA ILE A 68 -1.234 7.834 5.423 1.00 0.00 C ATOM 981 C ILE A 68 -2.494 8.650 5.695 1.00 0.00 C ATOM 982 O ILE A 68 -2.423 9.776 6.186 1.00 0.00 O ATOM 983 CB ILE A 68 -0.566 8.355 4.137 1.00 0.00 C ATOM 984 CG1 ILE A 68 0.383 7.299 3.566 1.00 0.00 C ATOM 985 CG2 ILE A 68 0.180 9.651 4.415 1.00 0.00 C ATOM 986 CD1 ILE A 68 0.840 7.598 2.155 1.00 0.00 C ATOM 0 H ILE A 68 -1.830 6.104 4.400 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.540 7.952 6.256 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.342 8.557 3.398 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.257 7.219 4.213 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.114 6.329 3.581 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.647 10.006 3.496 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.520 10.402 4.781 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.949 9.474 5.167 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.510 6.808 1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.026 7.649 1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.366 8.553 2.137 1.00 0.00 H new ATOM 998 N ALA A 69 -3.646 8.072 5.373 1.00 0.00 N ATOM 999 CA ALA A 69 -4.923 8.743 5.586 1.00 0.00 C ATOM 1000 C ALA A 69 -5.393 8.585 7.028 1.00 0.00 C ATOM 1001 O ALA A 69 -5.548 9.568 7.753 1.00 0.00 O ATOM 1002 CB ALA A 69 -5.970 8.201 4.625 1.00 0.00 C ATOM 0 H ALA A 69 -3.722 7.141 4.964 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.783 9.806 5.392 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.918 8.711 4.795 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.645 8.372 3.599 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.098 7.131 4.792 1.00 0.00 H new ATOM 1008 N THR A 70 -5.618 7.341 7.439 1.00 0.00 N ATOM 1009 CA THR A 70 -6.072 7.054 8.794 1.00 0.00 C ATOM 1010 C THR A 70 -4.901 7.011 9.768 1.00 0.00 C ATOM 1011 O THR A 70 -5.056 7.304 10.953 1.00 0.00 O ATOM 1012 CB THR A 70 -6.830 5.715 8.861 1.00 0.00 C ATOM 1013 OG1 THR A 70 -5.926 4.628 8.633 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.949 5.675 7.830 1.00 0.00 C ATOM 0 H THR A 70 -5.493 6.516 6.853 1.00 0.00 H new ATOM 0 HA THR A 70 -6.748 7.860 9.078 1.00 0.00 H new ATOM 0 HB THR A 70 -7.268 5.620 9.854 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.117 4.221 7.762 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.470 4.720 7.896 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.651 6.486 8.023 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.528 5.790 6.831 1.00 0.00 H new ATOM 1022 N GLY A 71 -3.728 6.645 9.261 1.00 0.00 N ATOM 1023 CA GLY A 71 -2.547 6.571 10.102 1.00 0.00 C ATOM 1024 C GLY A 71 -2.387 5.214 10.759 1.00 0.00 C ATOM 1025 O GLY A 71 -1.559 5.043 11.654 1.00 0.00 O ATOM 0 H GLY A 71 -3.574 6.398 8.283 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.663 6.787 9.502 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.605 7.340 10.873 1.00 0.00 H new ATOM 1029 N LYS A 72 -3.183 4.247 10.317 1.00 0.00 N ATOM 1030 CA LYS A 72 -3.127 2.898 10.867 1.00 0.00 C ATOM 1031 C LYS A 72 -1.845 2.189 10.443 1.00 0.00 C ATOM 1032 O LYS A 72 -1.090 2.696 9.614 1.00 0.00 O ATOM 1033 CB LYS A 72 -4.344 2.089 10.413 1.00 0.00 C ATOM 1034 CG LYS A 72 -5.640 2.509 11.084 1.00 0.00 C ATOM 1035 CD LYS A 72 -6.778 1.563 10.741 1.00 0.00 C ATOM 1036 CE LYS A 72 -7.537 2.029 9.508 1.00 0.00 C ATOM 1037 NZ LYS A 72 -8.617 2.995 9.853 1.00 0.00 N ATOM 0 H LYS A 72 -3.875 4.372 9.579 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.135 2.976 11.954 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.455 2.190 9.333 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.165 1.033 10.617 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.500 2.534 12.165 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.900 3.521 10.773 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.382 0.562 10.569 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.462 1.494 11.586 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.843 2.495 8.809 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.970 1.167 9.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.175 3.210 9.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.237 2.579 10.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.195 3.871 10.221 1.00 0.00 H new ATOM 1051 N SER A 73 -1.606 1.014 11.016 1.00 0.00 N ATOM 1052 CA SER A 73 -0.414 0.237 10.699 1.00 0.00 C ATOM 1053 C SER A 73 -0.660 -1.252 10.923 1.00 0.00 C ATOM 1054 O SER A 73 -1.376 -1.643 11.844 1.00 0.00 O ATOM 1055 CB SER A 73 0.767 0.704 11.552 1.00 0.00 C ATOM 1056 OG SER A 73 0.436 0.695 12.930 1.00 0.00 O ATOM 0 H SER A 73 -2.222 0.579 11.703 1.00 0.00 H new ATOM 0 HA SER A 73 -0.178 0.394 9.647 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.625 0.055 11.377 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.061 1.710 11.252 1.00 0.00 H new ATOM 0 HG SER A 73 1.208 0.996 13.454 1.00 0.00 H new ATOM 1062 N GLY A 74 -0.061 -2.079 10.072 1.00 0.00 N ATOM 1063 CA GLY A 74 -0.227 -3.516 10.193 1.00 0.00 C ATOM 1064 C GLY A 74 0.346 -4.267 9.008 1.00 0.00 C ATOM 1065 O GLY A 74 1.412 -3.919 8.499 1.00 0.00 O ATOM 0 H GLY A 74 0.536 -1.780 9.301 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.259 -3.859 11.106 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.287 -3.749 10.289 1.00 0.00 H new ATOM 1069 N TYR A 75 -0.361 -5.302 8.567 1.00 0.00 N ATOM 1070 CA TYR A 75 0.085 -6.107 7.437 1.00 0.00 C ATOM 1071 C TYR A 75 -0.999 -6.193 6.367 1.00 0.00 C ATOM 1072 O TYR A 75 -2.142 -6.552 6.653 1.00 0.00 O ATOM 1073 CB TYR A 75 0.468 -7.512 7.904 1.00 0.00 C ATOM 1074 CG TYR A 75 1.534 -7.524 8.977 1.00 0.00 C ATOM 1075 CD1 TYR A 75 2.723 -6.824 8.810 1.00 0.00 C ATOM 1076 CD2 TYR A 75 1.353 -8.235 10.157 1.00 0.00 C ATOM 1077 CE1 TYR A 75 3.700 -6.832 9.787 1.00 0.00 C ATOM 1078 CE2 TYR A 75 2.323 -8.247 11.140 1.00 0.00 C ATOM 1079 CZ TYR A 75 3.495 -7.545 10.950 1.00 0.00 C ATOM 1080 OH TYR A 75 4.465 -7.556 11.926 1.00 0.00 O ATOM 0 H TYR A 75 -1.246 -5.603 8.976 1.00 0.00 H new ATOM 0 HA TYR A 75 0.961 -5.624 7.003 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.422 -8.015 8.282 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.820 -8.087 7.048 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.886 -6.264 7.901 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.438 -8.788 10.308 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.619 -6.283 9.641 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.165 -8.803 12.052 1.00 0.00 H new ATOM 0 HH TYR A 75 4.164 -8.104 12.681 1.00 0.00 H new ATOM 1090 N ILE A 76 -0.632 -5.863 5.133 1.00 0.00 N ATOM 1091 CA ILE A 76 -1.571 -5.904 4.020 1.00 0.00 C ATOM 1092 C ILE A 76 -1.091 -6.856 2.930 1.00 0.00 C ATOM 1093 O ILE A 76 0.094 -6.916 2.601 1.00 0.00 O ATOM 1094 CB ILE A 76 -1.781 -4.506 3.409 1.00 0.00 C ATOM 1095 CG1 ILE A 76 -0.439 -3.900 2.994 1.00 0.00 C ATOM 1096 CG2 ILE A 76 -2.497 -3.598 4.397 1.00 0.00 C ATOM 1097 CD1 ILE A 76 -0.575 -2.640 2.168 1.00 0.00 C ATOM 0 H ILE A 76 0.310 -5.564 4.879 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.519 -6.263 4.420 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.404 -4.604 2.520 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.142 -3.677 3.889 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.124 -4.639 2.424 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.638 -2.614 3.950 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.468 -4.026 4.646 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.899 -3.503 5.303 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.416 -2.266 1.910 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.129 -2.861 1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.110 -1.884 2.743 1.00 0.00 H new ATOM 1109 N PRO A 77 -2.031 -7.619 2.354 1.00 0.00 N ATOM 1110 CA PRO A 77 -1.728 -8.581 1.290 1.00 0.00 C ATOM 1111 C PRO A 77 -1.343 -7.897 -0.017 1.00 0.00 C ATOM 1112 O PRO A 77 -2.086 -7.064 -0.536 1.00 0.00 O ATOM 1113 CB PRO A 77 -3.041 -9.351 1.123 1.00 0.00 C ATOM 1114 CG PRO A 77 -4.095 -8.410 1.597 1.00 0.00 C ATOM 1115 CD PRO A 77 -3.464 -7.600 2.696 1.00 0.00 C ATOM 0 HA PRO A 77 -0.876 -9.213 1.542 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.203 -9.636 0.084 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.038 -10.270 1.709 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.438 -7.767 0.786 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.966 -8.953 1.963 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.857 -6.584 2.723 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.649 -8.039 3.676 1.00 0.00 H new ATOM 1123 N SER A 78 -0.176 -8.255 -0.545 1.00 0.00 N ATOM 1124 CA SER A 78 0.310 -7.672 -1.791 1.00 0.00 C ATOM 1125 C SER A 78 -0.535 -8.137 -2.973 1.00 0.00 C ATOM 1126 O SER A 78 -0.415 -7.613 -4.080 1.00 0.00 O ATOM 1127 CB SER A 78 1.775 -8.050 -2.017 1.00 0.00 C ATOM 1128 OG SER A 78 1.910 -9.435 -2.286 1.00 0.00 O ATOM 0 H SER A 78 0.450 -8.945 -0.130 1.00 0.00 H new ATOM 0 HA SER A 78 0.229 -6.588 -1.713 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.178 -7.474 -2.850 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.361 -7.789 -1.136 1.00 0.00 H new ATOM 0 HG SER A 78 2.393 -9.866 -1.550 1.00 0.00 H new ATOM 1134 N ASN A 79 -1.390 -9.125 -2.730 1.00 0.00 N ATOM 1135 CA ASN A 79 -2.256 -9.661 -3.774 1.00 0.00 C ATOM 1136 C ASN A 79 -3.508 -8.804 -3.936 1.00 0.00 C ATOM 1137 O ASN A 79 -4.352 -9.076 -4.791 1.00 0.00 O ATOM 1138 CB ASN A 79 -2.650 -11.103 -3.448 1.00 0.00 C ATOM 1139 CG ASN A 79 -1.445 -12.014 -3.307 1.00 0.00 C ATOM 1140 OD1 ASN A 79 -0.304 -11.552 -3.277 1.00 0.00 O ATOM 1141 ND2 ASN A 79 -1.694 -13.315 -3.220 1.00 0.00 N ATOM 0 H ASN A 79 -1.502 -9.571 -1.819 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.703 -9.646 -4.713 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.225 -11.119 -2.522 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.301 -11.485 -4.234 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.923 -13.976 -3.124 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.656 -13.653 -3.249 1.00 0.00 H new ATOM 1148 N TYR A 80 -3.621 -7.770 -3.111 1.00 0.00 N ATOM 1149 CA TYR A 80 -4.770 -6.874 -3.161 1.00 0.00 C ATOM 1150 C TYR A 80 -4.333 -5.442 -3.453 1.00 0.00 C ATOM 1151 O TYR A 80 -5.022 -4.700 -4.153 1.00 0.00 O ATOM 1152 CB TYR A 80 -5.541 -6.924 -1.840 1.00 0.00 C ATOM 1153 CG TYR A 80 -6.621 -7.981 -1.810 1.00 0.00 C ATOM 1154 CD1 TYR A 80 -6.346 -9.295 -2.168 1.00 0.00 C ATOM 1155 CD2 TYR A 80 -7.917 -7.666 -1.421 1.00 0.00 C ATOM 1156 CE1 TYR A 80 -7.330 -10.264 -2.141 1.00 0.00 C ATOM 1157 CE2 TYR A 80 -8.908 -8.629 -1.390 1.00 0.00 C ATOM 1158 CZ TYR A 80 -8.610 -9.926 -1.752 1.00 0.00 C ATOM 1159 OH TYR A 80 -9.593 -10.888 -1.723 1.00 0.00 O ATOM 0 H TYR A 80 -2.931 -7.531 -2.399 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.422 -7.207 -3.968 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -4.840 -7.110 -1.026 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.993 -5.949 -1.655 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.345 -9.563 -2.473 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -8.154 -6.651 -1.138 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.099 -11.281 -2.423 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -9.910 -8.367 -1.084 1.00 0.00 H new ATOM 0 HH TYR A 80 -10.436 -10.486 -1.426 1.00 0.00 H new ATOM 1169 N VAL A 81 -3.180 -5.060 -2.912 1.00 0.00 N ATOM 1170 CA VAL A 81 -2.648 -3.718 -3.115 1.00 0.00 C ATOM 1171 C VAL A 81 -1.532 -3.721 -4.154 1.00 0.00 C ATOM 1172 O VAL A 81 -0.707 -4.634 -4.193 1.00 0.00 O ATOM 1173 CB VAL A 81 -2.108 -3.124 -1.801 1.00 0.00 C ATOM 1174 CG1 VAL A 81 -3.232 -2.956 -0.789 1.00 0.00 C ATOM 1175 CG2 VAL A 81 -0.998 -3.998 -1.237 1.00 0.00 C ATOM 0 H VAL A 81 -2.597 -5.661 -2.330 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.473 -3.101 -3.473 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.691 -2.139 -2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.831 -2.535 0.133 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.990 -2.286 -1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.681 -3.927 -0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.628 -3.563 -0.309 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.386 -4.997 -1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.183 -4.061 -1.958 1.00 0.00 H new ATOM 1185 N VAL A 82 -1.513 -2.693 -4.997 1.00 0.00 N ATOM 1186 CA VAL A 82 -0.498 -2.575 -6.036 1.00 0.00 C ATOM 1187 C VAL A 82 0.134 -1.188 -6.034 1.00 0.00 C ATOM 1188 O VAL A 82 -0.477 -0.201 -5.623 1.00 0.00 O ATOM 1189 CB VAL A 82 -1.088 -2.856 -7.431 1.00 0.00 C ATOM 1190 CG1 VAL A 82 -2.116 -3.974 -7.361 1.00 0.00 C ATOM 1191 CG2 VAL A 82 -1.701 -1.591 -8.014 1.00 0.00 C ATOM 0 H VAL A 82 -2.190 -1.930 -4.980 1.00 0.00 H new ATOM 0 HA VAL A 82 0.267 -3.319 -5.816 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.282 -3.178 -8.090 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.522 -4.158 -8.356 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.641 -4.882 -6.989 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.923 -3.685 -6.688 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.113 -1.807 -9.000 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.496 -1.236 -7.358 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.933 -0.822 -8.102 1.00 0.00 H new ATOM 1201 N PRO A 83 1.388 -1.107 -6.503 1.00 0.00 N ATOM 1202 CA PRO A 83 2.130 0.155 -6.566 1.00 0.00 C ATOM 1203 C PRO A 83 1.570 1.105 -7.620 1.00 0.00 C ATOM 1204 O PRO A 83 1.283 0.698 -8.745 1.00 0.00 O ATOM 1205 CB PRO A 83 3.547 -0.285 -6.942 1.00 0.00 C ATOM 1206 CG PRO A 83 3.365 -1.582 -7.651 1.00 0.00 C ATOM 1207 CD PRO A 83 2.177 -2.243 -7.009 1.00 0.00 C ATOM 0 HA PRO A 83 2.075 0.707 -5.628 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.033 0.451 -7.582 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.173 -0.402 -6.057 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.195 -1.424 -8.716 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.255 -2.205 -7.559 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.611 -2.838 -7.726 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.477 -2.915 -6.204 1.00 0.00 H new ATOM 1215 N ALA A 84 1.419 2.372 -7.247 1.00 0.00 N ATOM 1216 CA ALA A 84 0.896 3.379 -8.161 1.00 0.00 C ATOM 1217 C ALA A 84 1.839 3.593 -9.341 1.00 0.00 C ATOM 1218 O ALA A 84 1.528 4.340 -10.269 1.00 0.00 O ATOM 1219 CB ALA A 84 0.663 4.690 -7.425 1.00 0.00 C ATOM 0 H ALA A 84 1.652 2.725 -6.319 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.056 3.020 -8.551 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.272 5.433 -8.120 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -0.055 4.533 -6.620 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.605 5.045 -7.006 1.00 0.00 H new ATOM 1225 N ASP A 85 2.991 2.934 -9.297 1.00 0.00 N ATOM 1226 CA ASP A 85 3.980 3.051 -10.363 1.00 0.00 C ATOM 1227 C ASP A 85 3.854 1.896 -11.351 1.00 0.00 C ATOM 1228 O ASP A 85 3.944 2.090 -12.563 1.00 0.00 O ATOM 1229 CB ASP A 85 5.392 3.086 -9.776 1.00 0.00 C ATOM 1230 CG ASP A 85 5.561 4.179 -8.739 1.00 0.00 C ATOM 1231 OD1 ASP A 85 5.347 5.360 -9.082 1.00 0.00 O ATOM 1232 OD2 ASP A 85 5.908 3.852 -7.585 1.00 0.00 O ATOM 0 H ASP A 85 3.264 2.313 -8.535 1.00 0.00 H new ATOM 0 HA ASP A 85 3.794 3.983 -10.897 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.618 2.121 -9.322 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.113 3.237 -10.580 1.00 0.00 H new ATOM 1237 N SER A 86 3.646 0.693 -10.824 1.00 0.00 N ATOM 1238 CA SER A 86 3.513 -0.495 -11.659 1.00 0.00 C ATOM 1239 C SER A 86 2.069 -0.988 -11.677 1.00 0.00 C ATOM 1240 O SER A 86 1.806 -2.160 -11.945 1.00 0.00 O ATOM 1241 CB SER A 86 4.437 -1.605 -11.155 1.00 0.00 C ATOM 1242 OG SER A 86 5.700 -1.547 -11.795 1.00 0.00 O ATOM 0 H SER A 86 3.566 0.516 -9.823 1.00 0.00 H new ATOM 0 HA SER A 86 3.800 -0.228 -12.676 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.568 -1.512 -10.077 1.00 0.00 H new ATOM 0 HB3 SER A 86 3.977 -2.576 -11.338 1.00 0.00 H new ATOM 0 HG SER A 86 6.273 -2.266 -11.454 1.00 0.00 H new ATOM 1248 N ILE A 87 1.139 -0.084 -11.389 1.00 0.00 N ATOM 1249 CA ILE A 87 -0.278 -0.425 -11.372 1.00 0.00 C ATOM 1250 C ILE A 87 -0.598 -1.492 -12.414 1.00 0.00 C ATOM 1251 O ILE A 87 -0.679 -1.203 -13.607 1.00 0.00 O ATOM 1252 CB ILE A 87 -1.158 0.811 -11.632 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -0.503 2.063 -11.046 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -2.546 0.607 -11.042 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -1.479 3.188 -10.780 1.00 0.00 C ATOM 0 H ILE A 87 1.341 0.890 -11.164 1.00 0.00 H new ATOM 0 HA ILE A 87 -0.498 -0.813 -10.378 1.00 0.00 H new ATOM 0 HB ILE A 87 -1.259 0.947 -12.709 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.003 1.799 -10.114 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.267 2.416 -11.732 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.156 1.489 -11.234 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.013 -0.264 -11.502 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.465 0.449 -9.967 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.945 4.043 -10.365 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.961 3.479 -11.713 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.235 2.853 -10.070 1.00 0.00 H new ATOM 1267 N GLN A 88 -0.782 -2.725 -11.953 1.00 0.00 N ATOM 1268 CA GLN A 88 -1.096 -3.835 -12.846 1.00 0.00 C ATOM 1269 C GLN A 88 -2.565 -3.806 -13.255 1.00 0.00 C ATOM 1270 O GLN A 88 -2.949 -4.396 -14.264 1.00 0.00 O ATOM 1271 CB GLN A 88 -0.767 -5.168 -12.171 1.00 0.00 C ATOM 1272 CG GLN A 88 -1.523 -5.394 -10.871 1.00 0.00 C ATOM 1273 CD GLN A 88 -0.870 -6.442 -9.992 1.00 0.00 C ATOM 1274 OE1 GLN A 88 -1.073 -7.642 -10.181 1.00 0.00 O ATOM 1275 NE2 GLN A 88 -0.080 -5.994 -9.023 1.00 0.00 N ATOM 0 H GLN A 88 -0.719 -2.981 -10.968 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.487 -3.731 -13.744 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.995 -5.981 -12.860 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.304 -5.210 -11.971 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.586 -4.454 -10.323 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.544 -5.700 -11.097 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.060 -4.991 -8.902 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.387 -6.653 -8.400 1.00 0.00 H new ATOM 1284 N ALA A 89 -3.381 -3.117 -12.464 1.00 0.00 N ATOM 1285 CA ALA A 89 -4.807 -3.010 -12.745 1.00 0.00 C ATOM 1286 C ALA A 89 -5.223 -1.555 -12.931 1.00 0.00 C ATOM 1287 O ALA A 89 -6.374 -1.194 -12.690 1.00 0.00 O ATOM 1288 CB ALA A 89 -5.615 -3.653 -11.627 1.00 0.00 C ATOM 0 H ALA A 89 -3.079 -2.625 -11.623 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.009 -3.540 -13.676 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.678 -3.566 -11.850 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.347 -4.706 -11.544 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.399 -3.148 -10.685 1.00 0.00 H new ATOM 1294 N GLU A 90 -4.277 -0.725 -13.361 1.00 0.00 N ATOM 1295 CA GLU A 90 -4.547 0.692 -13.577 1.00 0.00 C ATOM 1296 C GLU A 90 -5.965 0.902 -14.101 1.00 0.00 C ATOM 1297 O GLU A 90 -6.588 1.930 -13.836 1.00 0.00 O ATOM 1298 CB GLU A 90 -3.535 1.282 -14.562 1.00 0.00 C ATOM 1299 CG GLU A 90 -3.178 0.343 -15.702 1.00 0.00 C ATOM 1300 CD GLU A 90 -1.772 0.569 -16.224 1.00 0.00 C ATOM 1301 OE1 GLU A 90 -0.811 0.286 -15.479 1.00 0.00 O ATOM 1302 OE2 GLU A 90 -1.633 1.028 -17.377 1.00 0.00 O ATOM 0 H GLU A 90 -3.319 -1.009 -13.566 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.453 1.204 -12.619 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.939 2.206 -14.976 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.626 1.546 -14.022 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.274 -0.688 -15.362 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.890 0.478 -16.516 1.00 0.00 H new ATOM 1309 N GLU A 91 -6.466 -0.079 -14.844 1.00 0.00 N ATOM 1310 CA GLU A 91 -7.810 0.000 -15.406 1.00 0.00 C ATOM 1311 C GLU A 91 -8.770 0.669 -14.427 1.00 0.00 C ATOM 1312 O GLU A 91 -9.703 1.362 -14.833 1.00 0.00 O ATOM 1313 CB GLU A 91 -8.320 -1.398 -15.763 1.00 0.00 C ATOM 1314 CG GLU A 91 -7.535 -2.065 -16.881 1.00 0.00 C ATOM 1315 CD GLU A 91 -8.152 -3.377 -17.324 1.00 0.00 C ATOM 1316 OE1 GLU A 91 -9.100 -3.344 -18.137 1.00 0.00 O ATOM 1317 OE2 GLU A 91 -7.687 -4.438 -16.858 1.00 0.00 O ATOM 0 H GLU A 91 -5.963 -0.937 -15.071 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.763 0.604 -16.312 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.278 -2.029 -14.875 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.367 -1.330 -16.057 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.478 -1.388 -17.734 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.513 -2.243 -16.546 1.00 0.00 H new ATOM 1324 N TRP A 92 -8.536 0.455 -13.138 1.00 0.00 N ATOM 1325 CA TRP A 92 -9.380 1.036 -12.101 1.00 0.00 C ATOM 1326 C TRP A 92 -9.342 2.559 -12.158 1.00 0.00 C ATOM 1327 O TRP A 92 -10.380 3.218 -12.096 1.00 0.00 O ATOM 1328 CB TRP A 92 -8.932 0.554 -10.720 1.00 0.00 C ATOM 1329 CG TRP A 92 -7.571 1.046 -10.332 1.00 0.00 C ATOM 1330 CD1 TRP A 92 -6.412 0.323 -10.317 1.00 0.00 C ATOM 1331 CD2 TRP A 92 -7.227 2.367 -9.902 1.00 0.00 C ATOM 1332 NE1 TRP A 92 -5.369 1.116 -9.903 1.00 0.00 N ATOM 1333 CE2 TRP A 92 -5.842 2.375 -9.643 1.00 0.00 C ATOM 1334 CE3 TRP A 92 -7.954 3.546 -9.712 1.00 0.00 C ATOM 1335 CZ2 TRP A 92 -5.173 3.514 -9.204 1.00 0.00 C ATOM 1336 CZ3 TRP A 92 -7.288 4.676 -9.275 1.00 0.00 C ATOM 1337 CH2 TRP A 92 -5.910 4.654 -9.026 1.00 0.00 C ATOM 0 H TRP A 92 -7.768 -0.117 -12.786 1.00 0.00 H new ATOM 0 HA TRP A 92 -10.405 0.710 -12.277 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -9.656 0.885 -9.975 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -8.934 -0.536 -10.705 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -6.328 -0.718 -10.590 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -4.399 0.816 -9.805 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -9.017 3.574 -9.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.111 3.499 -9.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -7.840 5.592 -9.123 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -5.419 5.554 -8.687 1.00 0.00 H new ATOM 1348 N TYR A 93 -8.140 3.113 -12.277 1.00 0.00 N ATOM 1349 CA TYR A 93 -7.968 4.559 -12.340 1.00 0.00 C ATOM 1350 C TYR A 93 -8.264 5.082 -13.742 1.00 0.00 C ATOM 1351 O TYR A 93 -8.744 6.203 -13.911 1.00 0.00 O ATOM 1352 CB TYR A 93 -6.545 4.942 -11.931 1.00 0.00 C ATOM 1353 CG TYR A 93 -5.595 5.082 -13.099 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -5.789 6.062 -14.065 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -4.503 4.234 -13.237 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -4.925 6.192 -15.134 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -3.633 4.357 -14.303 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.848 5.338 -15.249 1.00 0.00 C ATOM 1359 OH TYR A 93 -2.984 5.465 -16.312 1.00 0.00 O ATOM 0 H TYR A 93 -7.271 2.582 -12.332 1.00 0.00 H new ATOM 0 HA TYR A 93 -8.674 5.014 -11.645 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.575 5.884 -11.383 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -6.157 4.187 -11.247 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.630 6.734 -13.978 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.331 3.465 -12.498 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.092 6.958 -15.876 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.789 3.689 -14.395 1.00 0.00 H new ATOM 0 HH TYR A 93 -2.728 4.575 -16.633 1.00 0.00 H new ATOM 1369 N PHE A 94 -7.975 4.261 -14.746 1.00 0.00 N ATOM 1370 CA PHE A 94 -8.209 4.639 -16.135 1.00 0.00 C ATOM 1371 C PHE A 94 -9.687 4.930 -16.378 1.00 0.00 C ATOM 1372 O PHE A 94 -10.040 5.931 -16.999 1.00 0.00 O ATOM 1373 CB PHE A 94 -7.735 3.528 -17.075 1.00 0.00 C ATOM 1374 CG PHE A 94 -6.304 3.677 -17.505 1.00 0.00 C ATOM 1375 CD1 PHE A 94 -5.956 4.578 -18.498 1.00 0.00 C ATOM 1376 CD2 PHE A 94 -5.307 2.915 -16.917 1.00 0.00 C ATOM 1377 CE1 PHE A 94 -4.639 4.718 -18.897 1.00 0.00 C ATOM 1378 CE2 PHE A 94 -3.989 3.050 -17.311 1.00 0.00 C ATOM 1379 CZ PHE A 94 -3.655 3.952 -18.303 1.00 0.00 C ATOM 0 H PHE A 94 -7.578 3.329 -14.624 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.640 5.546 -16.339 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.859 2.566 -16.578 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.372 3.515 -17.959 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.722 5.178 -18.966 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.563 2.208 -16.142 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.381 5.425 -19.672 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.221 2.451 -16.844 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.626 4.058 -18.613 1.00 0.00 H new