USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 460 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 Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 113:sc= 1.03 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.0114 K(o=-0.011,f=-1.4) USER MOD Single : A 46 LYS NZ :NH3+ 168:sc= 0.117 (180deg=0.0701) USER MOD Single : A 49 GLN : amide:sc= -3.06! C(o=-3.1!,f=-2.9!) USER MOD Single : A 50 MET CE :methyl 180:sc= -0.0133 (180deg=-0.0133) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 58:sc= 0.565 USER MOD Single : A 67 THR OG1 : rot -140:sc= -1.21 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 140:sc= 1.92 USER MOD Single : A 76 ASN : amide:sc= -8.77! C(o=-8.8!,f=-16!) USER MOD Single : A 77 TYR OH : rot 21:sc= 0.745 USER MOD Single : A 83 SER OG : rot -50:sc= 0.339 USER MOD ----------------------------------------------------------------- ATOM 323 N ILE A 26 -3.393 -8.544 -15.395 1.00 0.00 N ATOM 324 CA ILE A 26 -2.559 -7.370 -15.587 1.00 0.00 C ATOM 325 C ILE A 26 -1.484 -7.329 -14.499 1.00 0.00 C ATOM 326 O ILE A 26 -1.733 -6.851 -13.394 1.00 0.00 O ATOM 327 CB ILE A 26 -3.419 -6.106 -15.649 1.00 0.00 C ATOM 328 CG1 ILE A 26 -4.120 -5.987 -17.004 1.00 0.00 C ATOM 329 CG2 ILE A 26 -2.592 -4.863 -15.320 1.00 0.00 C ATOM 330 CD1 ILE A 26 -3.189 -5.371 -18.050 1.00 0.00 C ATOM 0 HA ILE A 26 -2.042 -7.423 -16.545 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.197 -6.184 -14.889 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.446 -6.973 -17.337 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.015 -5.373 -16.902 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.228 -3.979 -15.371 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.180 -4.956 -14.315 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.778 -4.767 -16.039 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.711 -5.298 -19.004 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.885 -4.376 -17.725 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.307 -6.000 -18.167 1.00 0.00 H new ATOM 342 N ILE A 27 -0.312 -7.837 -14.850 1.00 0.00 N ATOM 343 CA ILE A 27 0.801 -7.865 -13.917 1.00 0.00 C ATOM 344 C ILE A 27 1.481 -6.494 -13.901 1.00 0.00 C ATOM 345 O ILE A 27 1.928 -6.006 -14.938 1.00 0.00 O ATOM 346 CB ILE A 27 1.751 -9.018 -14.249 1.00 0.00 C ATOM 347 CG1 ILE A 27 0.974 -10.313 -14.501 1.00 0.00 C ATOM 348 CG2 ILE A 27 2.809 -9.188 -13.158 1.00 0.00 C ATOM 349 CD1 ILE A 27 0.327 -10.823 -13.211 1.00 0.00 C ATOM 0 H ILE A 27 -0.109 -8.233 -15.768 1.00 0.00 H new ATOM 0 HA ILE A 27 0.445 -8.058 -12.905 1.00 0.00 H new ATOM 0 HB ILE A 27 2.277 -8.773 -15.172 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.205 -10.140 -15.254 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.646 -11.073 -14.900 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.471 -10.014 -13.419 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.391 -8.271 -13.069 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.320 -9.401 -12.207 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.219 -11.744 -13.417 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.101 -11.018 -12.468 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.362 -10.071 -12.828 1.00 0.00 H new ATOM 361 N VAL A 28 1.538 -5.911 -12.713 1.00 0.00 N ATOM 362 CA VAL A 28 2.157 -4.607 -12.548 1.00 0.00 C ATOM 363 C VAL A 28 3.167 -4.667 -11.399 1.00 0.00 C ATOM 364 O VAL A 28 2.844 -5.135 -10.308 1.00 0.00 O ATOM 365 CB VAL A 28 1.080 -3.539 -12.341 1.00 0.00 C ATOM 366 CG1 VAL A 28 0.165 -3.440 -13.565 1.00 0.00 C ATOM 367 CG2 VAL A 28 0.270 -3.816 -11.073 1.00 0.00 C ATOM 0 H VAL A 28 1.166 -6.318 -11.855 1.00 0.00 H new ATOM 0 HA VAL A 28 2.705 -4.328 -13.448 1.00 0.00 H new ATOM 0 HB VAL A 28 1.580 -2.578 -12.216 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.591 -2.674 -13.393 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.757 -3.175 -14.441 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.322 -4.400 -13.733 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.488 -3.043 -10.949 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.214 -4.789 -11.156 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.935 -3.814 -10.209 1.00 0.00 H new ATOM 377 N VAL A 29 4.367 -4.186 -11.685 1.00 0.00 N ATOM 378 CA VAL A 29 5.427 -4.180 -10.690 1.00 0.00 C ATOM 379 C VAL A 29 5.362 -2.876 -9.892 1.00 0.00 C ATOM 380 O VAL A 29 5.063 -1.819 -10.445 1.00 0.00 O ATOM 381 CB VAL A 29 6.782 -4.400 -11.366 1.00 0.00 C ATOM 382 CG1 VAL A 29 7.300 -3.103 -11.990 1.00 0.00 C ATOM 383 CG2 VAL A 29 7.798 -4.978 -10.380 1.00 0.00 C ATOM 0 H VAL A 29 4.630 -3.798 -12.591 1.00 0.00 H new ATOM 0 HA VAL A 29 5.294 -5.001 -9.985 1.00 0.00 H new ATOM 0 HB VAL A 29 6.643 -5.125 -12.168 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.264 -3.287 -12.464 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.590 -2.750 -12.738 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.416 -2.347 -11.214 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.753 -5.125 -10.885 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.931 -4.287 -9.547 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.436 -5.935 -10.003 1.00 0.00 H new ATOM 393 N ALA A 30 5.648 -2.993 -8.603 1.00 0.00 N ATOM 394 CA ALA A 30 5.627 -1.837 -7.723 1.00 0.00 C ATOM 395 C ALA A 30 6.865 -0.979 -7.986 1.00 0.00 C ATOM 396 O ALA A 30 7.989 -1.412 -7.736 1.00 0.00 O ATOM 397 CB ALA A 30 5.538 -2.304 -6.269 1.00 0.00 C ATOM 0 H ALA A 30 5.896 -3.871 -8.147 1.00 0.00 H new ATOM 0 HA ALA A 30 4.751 -1.220 -7.921 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.522 -1.437 -5.609 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.626 -2.884 -6.128 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.402 -2.924 -6.033 1.00 0.00 H new ATOM 403 N LEU A 31 6.617 0.223 -8.486 1.00 0.00 N ATOM 404 CA LEU A 31 7.698 1.147 -8.785 1.00 0.00 C ATOM 405 C LEU A 31 8.306 1.655 -7.476 1.00 0.00 C ATOM 406 O LEU A 31 9.518 1.843 -7.381 1.00 0.00 O ATOM 407 CB LEU A 31 7.210 2.263 -9.711 1.00 0.00 C ATOM 408 CG LEU A 31 6.909 1.853 -11.153 1.00 0.00 C ATOM 409 CD1 LEU A 31 6.536 3.070 -12.003 1.00 0.00 C ATOM 410 CD2 LEU A 31 8.077 1.071 -11.757 1.00 0.00 C ATOM 0 H LEU A 31 5.683 0.578 -8.692 1.00 0.00 H new ATOM 0 HA LEU A 31 8.493 0.638 -9.330 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.307 2.696 -9.281 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.964 3.050 -9.728 1.00 0.00 H new ATOM 0 HG LEU A 31 6.046 1.188 -11.144 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.327 2.750 -13.024 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.651 3.549 -11.584 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.364 3.779 -12.007 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.836 0.792 -12.783 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.973 1.692 -11.751 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.255 0.171 -11.168 1.00 0.00 H new ATOM 422 N TYR A 32 7.436 1.864 -6.499 1.00 0.00 N ATOM 423 CA TYR A 32 7.871 2.347 -5.199 1.00 0.00 C ATOM 424 C TYR A 32 7.225 1.542 -4.070 1.00 0.00 C ATOM 425 O TYR A 32 6.186 0.913 -4.268 1.00 0.00 O ATOM 426 CB TYR A 32 7.400 3.800 -5.110 1.00 0.00 C ATOM 427 CG TYR A 32 7.411 4.541 -6.448 1.00 0.00 C ATOM 428 CD1 TYR A 32 8.557 5.182 -6.872 1.00 0.00 C ATOM 429 CD2 TYR A 32 6.275 4.570 -7.231 1.00 0.00 C ATOM 430 CE1 TYR A 32 8.568 5.881 -8.131 1.00 0.00 C ATOM 431 CE2 TYR A 32 6.285 5.268 -8.490 1.00 0.00 C ATOM 432 CZ TYR A 32 7.432 5.889 -8.879 1.00 0.00 C ATOM 433 OH TYR A 32 7.442 6.547 -10.068 1.00 0.00 O ATOM 0 H TYR A 32 6.431 1.708 -6.581 1.00 0.00 H new ATOM 0 HA TYR A 32 8.952 2.251 -5.096 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.389 3.819 -4.704 1.00 0.00 H new ATOM 0 HB3 TYR A 32 8.036 4.335 -4.405 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.446 5.159 -6.259 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.378 4.069 -6.899 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.458 6.387 -8.474 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.402 5.298 -9.112 1.00 0.00 H new ATOM 0 HH TYR A 32 6.563 6.467 -10.493 1.00 0.00 H new ATOM 443 N ASP A 33 7.866 1.589 -2.911 1.00 0.00 N ATOM 444 CA ASP A 33 7.366 0.872 -1.750 1.00 0.00 C ATOM 445 C ASP A 33 6.050 1.505 -1.293 1.00 0.00 C ATOM 446 O ASP A 33 5.918 2.727 -1.276 1.00 0.00 O ATOM 447 CB ASP A 33 8.357 0.947 -0.588 1.00 0.00 C ATOM 448 CG ASP A 33 9.827 0.774 -0.977 1.00 0.00 C ATOM 449 OD1 ASP A 33 10.280 1.557 -1.839 1.00 0.00 O ATOM 450 OD2 ASP A 33 10.462 -0.136 -0.404 1.00 0.00 O ATOM 0 H ASP A 33 8.727 2.112 -2.751 1.00 0.00 H new ATOM 0 HA ASP A 33 7.222 -0.171 -2.033 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.239 1.910 -0.092 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.097 0.179 0.141 1.00 0.00 H new ATOM 455 N TYR A 34 5.110 0.643 -0.934 1.00 0.00 N ATOM 456 CA TYR A 34 3.809 1.102 -0.477 1.00 0.00 C ATOM 457 C TYR A 34 3.337 0.296 0.734 1.00 0.00 C ATOM 458 O TYR A 34 3.436 -0.930 0.745 1.00 0.00 O ATOM 459 CB TYR A 34 2.846 0.864 -1.641 1.00 0.00 C ATOM 460 CG TYR A 34 1.445 1.437 -1.417 1.00 0.00 C ATOM 461 CD1 TYR A 34 1.233 2.797 -1.507 1.00 0.00 C ATOM 462 CD2 TYR A 34 0.393 0.592 -1.126 1.00 0.00 C ATOM 463 CE1 TYR A 34 -0.085 3.337 -1.296 1.00 0.00 C ATOM 464 CE2 TYR A 34 -0.926 1.132 -0.915 1.00 0.00 C ATOM 465 CZ TYR A 34 -1.100 2.476 -1.010 1.00 0.00 C ATOM 466 OH TYR A 34 -2.345 2.986 -0.810 1.00 0.00 O ATOM 0 H TYR A 34 5.223 -0.371 -0.950 1.00 0.00 H new ATOM 0 HA TYR A 34 3.854 2.150 -0.179 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.268 1.305 -2.544 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.765 -0.208 -1.818 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.056 3.457 -1.736 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.558 -0.473 -1.057 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.264 4.400 -1.363 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.758 0.483 -0.686 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.937 2.698 -1.536 1.00 0.00 H new ATOM 476 N GLU A 35 2.833 1.017 1.725 1.00 0.00 N ATOM 477 CA GLU A 35 2.345 0.383 2.938 1.00 0.00 C ATOM 478 C GLU A 35 0.889 0.779 3.194 1.00 0.00 C ATOM 479 O GLU A 35 0.562 1.303 4.258 1.00 0.00 O ATOM 480 CB GLU A 35 3.228 0.739 4.135 1.00 0.00 C ATOM 481 CG GLU A 35 3.951 -0.499 4.670 1.00 0.00 C ATOM 482 CD GLU A 35 4.005 -0.484 6.199 1.00 0.00 C ATOM 483 OE1 GLU A 35 4.778 0.343 6.731 1.00 0.00 O ATOM 484 OE2 GLU A 35 3.274 -1.299 6.802 1.00 0.00 O ATOM 0 H GLU A 35 2.752 2.034 1.713 1.00 0.00 H new ATOM 0 HA GLU A 35 2.389 -0.698 2.804 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.959 1.493 3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.617 1.178 4.924 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.439 -1.399 4.329 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.963 -0.536 4.267 1.00 0.00 H new ATOM 491 N ALA A 36 0.053 0.513 2.201 1.00 0.00 N ATOM 492 CA ALA A 36 -1.360 0.834 2.305 1.00 0.00 C ATOM 493 C ALA A 36 -1.522 2.167 3.037 1.00 0.00 C ATOM 494 O ALA A 36 -1.660 2.196 4.259 1.00 0.00 O ATOM 495 CB ALA A 36 -2.094 -0.311 3.008 1.00 0.00 C ATOM 0 H ALA A 36 0.328 0.078 1.320 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.803 0.945 1.315 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.154 -0.070 3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.972 -1.229 2.433 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.679 -0.450 4.006 1.00 0.00 H new ATOM 569 N ASP A 41 -6.816 -0.553 0.781 1.00 0.00 N ATOM 570 CA ASP A 41 -5.716 -0.662 -0.163 1.00 0.00 C ATOM 571 C ASP A 41 -4.796 -1.806 0.264 1.00 0.00 C ATOM 572 O ASP A 41 -4.878 -2.287 1.393 1.00 0.00 O ATOM 573 CB ASP A 41 -4.888 0.624 -0.194 1.00 0.00 C ATOM 574 CG ASP A 41 -5.244 1.595 -1.322 1.00 0.00 C ATOM 575 OD1 ASP A 41 -6.453 1.877 -1.468 1.00 0.00 O ATOM 576 OD2 ASP A 41 -4.299 2.032 -2.013 1.00 0.00 O ATOM 0 HA ASP A 41 -6.137 -0.844 -1.152 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.008 1.139 0.759 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.835 0.358 -0.283 1.00 0.00 H new ATOM 581 N LEU A 42 -3.939 -2.211 -0.662 1.00 0.00 N ATOM 582 CA LEU A 42 -3.003 -3.290 -0.396 1.00 0.00 C ATOM 583 C LEU A 42 -1.594 -2.712 -0.242 1.00 0.00 C ATOM 584 O LEU A 42 -1.285 -1.662 -0.804 1.00 0.00 O ATOM 585 CB LEU A 42 -3.110 -4.369 -1.475 1.00 0.00 C ATOM 586 CG LEU A 42 -2.447 -5.710 -1.150 1.00 0.00 C ATOM 587 CD1 LEU A 42 -3.341 -6.558 -0.243 1.00 0.00 C ATOM 588 CD2 LEU A 42 -2.059 -6.454 -2.429 1.00 0.00 C ATOM 0 H LEU A 42 -3.873 -1.811 -1.598 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.249 -3.785 0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.166 -4.548 -1.679 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.669 -3.981 -2.394 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.527 -5.512 -0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.847 -7.505 -0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.524 -6.024 0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.290 -6.750 -0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.590 -7.403 -2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.952 -6.641 -3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.358 -5.848 -3.004 1.00 0.00 H new ATOM 600 N SER A 43 -0.778 -3.421 0.523 1.00 0.00 N ATOM 601 CA SER A 43 0.590 -2.992 0.758 1.00 0.00 C ATOM 602 C SER A 43 1.557 -3.864 -0.046 1.00 0.00 C ATOM 603 O SER A 43 1.338 -5.064 -0.196 1.00 0.00 O ATOM 604 CB SER A 43 0.936 -3.048 2.247 1.00 0.00 C ATOM 605 OG SER A 43 0.960 -4.385 2.739 1.00 0.00 O ATOM 0 H SER A 43 -1.038 -4.290 0.989 1.00 0.00 H new ATOM 0 HA SER A 43 0.686 -1.957 0.429 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.908 -2.584 2.411 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.206 -2.467 2.811 1.00 0.00 H new ATOM 0 HG SER A 43 1.186 -4.379 3.693 1.00 0.00 H new ATOM 611 N PHE A 44 2.608 -3.225 -0.540 1.00 0.00 N ATOM 612 CA PHE A 44 3.609 -3.927 -1.325 1.00 0.00 C ATOM 613 C PHE A 44 4.954 -3.200 -1.274 1.00 0.00 C ATOM 614 O PHE A 44 5.062 -2.129 -0.678 1.00 0.00 O ATOM 615 CB PHE A 44 3.110 -3.950 -2.771 1.00 0.00 C ATOM 616 CG PHE A 44 2.614 -2.595 -3.279 1.00 0.00 C ATOM 617 CD1 PHE A 44 3.501 -1.680 -3.754 1.00 0.00 C ATOM 618 CD2 PHE A 44 1.286 -2.305 -3.257 1.00 0.00 C ATOM 619 CE1 PHE A 44 3.041 -0.422 -4.226 1.00 0.00 C ATOM 620 CE2 PHE A 44 0.824 -1.048 -3.729 1.00 0.00 C ATOM 621 CZ PHE A 44 1.712 -0.133 -4.204 1.00 0.00 C ATOM 0 H PHE A 44 2.788 -2.229 -0.412 1.00 0.00 H new ATOM 0 HA PHE A 44 3.754 -4.932 -0.929 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.917 -4.296 -3.418 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.301 -4.676 -2.854 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.556 -1.910 -3.772 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.581 -3.032 -2.880 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.746 0.305 -4.602 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.231 -0.818 -3.711 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.361 0.823 -4.564 1.00 0.00 H new ATOM 631 N GLN A 45 5.946 -3.810 -1.907 1.00 0.00 N ATOM 632 CA GLN A 45 7.279 -3.234 -1.941 1.00 0.00 C ATOM 633 C GLN A 45 7.710 -2.980 -3.386 1.00 0.00 C ATOM 634 O GLN A 45 7.220 -3.630 -4.307 1.00 0.00 O ATOM 635 CB GLN A 45 8.284 -4.134 -1.218 1.00 0.00 C ATOM 636 CG GLN A 45 8.015 -4.158 0.288 1.00 0.00 C ATOM 637 CD GLN A 45 8.756 -5.316 0.959 1.00 0.00 C ATOM 638 OE1 GLN A 45 9.438 -6.103 0.322 1.00 0.00 O ATOM 639 NE2 GLN A 45 8.585 -5.377 2.276 1.00 0.00 N ATOM 0 H GLN A 45 5.853 -4.698 -2.400 1.00 0.00 H new ATOM 0 HA GLN A 45 7.255 -2.279 -1.417 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.224 -5.146 -1.618 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.297 -3.777 -1.404 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.330 -3.214 0.732 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.944 -4.254 0.468 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.001 -4.686 2.747 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.038 -6.115 2.815 1.00 0.00 H new ATOM 648 N LYS A 46 8.623 -2.032 -3.539 1.00 0.00 N ATOM 649 CA LYS A 46 9.126 -1.685 -4.858 1.00 0.00 C ATOM 650 C LYS A 46 9.692 -2.937 -5.530 1.00 0.00 C ATOM 651 O LYS A 46 10.733 -3.450 -5.121 1.00 0.00 O ATOM 652 CB LYS A 46 10.129 -0.532 -4.761 1.00 0.00 C ATOM 653 CG LYS A 46 11.133 -0.581 -5.916 1.00 0.00 C ATOM 654 CD LYS A 46 11.758 0.794 -6.156 1.00 0.00 C ATOM 655 CE LYS A 46 12.021 1.023 -7.646 1.00 0.00 C ATOM 656 NZ LYS A 46 12.239 2.462 -7.918 1.00 0.00 N ATOM 0 H LYS A 46 9.027 -1.494 -2.773 1.00 0.00 H new ATOM 0 HA LYS A 46 8.317 -1.322 -5.491 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.598 0.420 -4.776 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.660 -0.586 -3.810 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.915 -1.306 -5.692 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.633 -0.921 -6.823 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.094 1.571 -5.776 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.693 0.875 -5.601 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.894 0.451 -7.959 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.176 0.660 -8.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.613 2.580 -8.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.337 2.972 -7.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.920 2.846 -7.232 1.00 0.00 H new ATOM 670 N GLY A 47 8.981 -3.394 -6.552 1.00 0.00 N ATOM 671 CA GLY A 47 9.399 -4.576 -7.285 1.00 0.00 C ATOM 672 C GLY A 47 8.400 -5.720 -7.094 1.00 0.00 C ATOM 673 O GLY A 47 8.565 -6.794 -7.670 1.00 0.00 O ATOM 0 H GLY A 47 8.118 -2.966 -6.889 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.488 -4.339 -8.345 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.386 -4.889 -6.945 1.00 0.00 H new ATOM 677 N ASP A 48 7.388 -5.451 -6.283 1.00 0.00 N ATOM 678 CA ASP A 48 6.363 -6.444 -6.010 1.00 0.00 C ATOM 679 C ASP A 48 5.416 -6.536 -7.208 1.00 0.00 C ATOM 680 O ASP A 48 5.010 -5.516 -7.764 1.00 0.00 O ATOM 681 CB ASP A 48 5.536 -6.058 -4.783 1.00 0.00 C ATOM 682 CG ASP A 48 4.821 -7.222 -4.093 1.00 0.00 C ATOM 683 OD1 ASP A 48 5.466 -8.283 -3.955 1.00 0.00 O ATOM 684 OD2 ASP A 48 3.644 -7.023 -3.719 1.00 0.00 O ATOM 0 H ASP A 48 7.256 -4.559 -5.806 1.00 0.00 H new ATOM 0 HA ASP A 48 6.858 -7.398 -5.826 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.192 -5.574 -4.059 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.792 -5.320 -5.083 1.00 0.00 H new ATOM 689 N GLN A 49 5.092 -7.768 -7.572 1.00 0.00 N ATOM 690 CA GLN A 49 4.202 -8.008 -8.695 1.00 0.00 C ATOM 691 C GLN A 49 2.813 -8.411 -8.194 1.00 0.00 C ATOM 692 O GLN A 49 2.683 -9.331 -7.389 1.00 0.00 O ATOM 693 CB GLN A 49 4.775 -9.070 -9.635 1.00 0.00 C ATOM 694 CG GLN A 49 6.112 -8.617 -10.223 1.00 0.00 C ATOM 695 CD GLN A 49 6.041 -8.540 -11.749 1.00 0.00 C ATOM 696 OE1 GLN A 49 6.589 -9.362 -12.464 1.00 0.00 O ATOM 697 NE2 GLN A 49 5.336 -7.509 -12.207 1.00 0.00 N ATOM 0 H GLN A 49 5.430 -8.611 -7.109 1.00 0.00 H new ATOM 0 HA GLN A 49 4.109 -7.082 -9.263 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.910 -10.006 -9.093 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.068 -9.268 -10.440 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.380 -7.641 -9.818 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.898 -9.312 -9.926 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.902 -6.857 -11.553 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.229 -7.371 -13.212 1.00 0.00 H new ATOM 706 N MET A 50 1.810 -7.701 -8.689 1.00 0.00 N ATOM 707 CA MET A 50 0.437 -7.973 -8.302 1.00 0.00 C ATOM 708 C MET A 50 -0.424 -8.300 -9.525 1.00 0.00 C ATOM 709 O MET A 50 -0.148 -7.826 -10.627 1.00 0.00 O ATOM 710 CB MET A 50 -0.142 -6.753 -7.582 1.00 0.00 C ATOM 711 CG MET A 50 0.739 -6.346 -6.400 1.00 0.00 C ATOM 712 SD MET A 50 0.358 -4.674 -5.902 1.00 0.00 S ATOM 713 CE MET A 50 1.870 -3.855 -6.382 1.00 0.00 C ATOM 0 H MET A 50 1.921 -6.937 -9.355 1.00 0.00 H new ATOM 0 HA MET A 50 0.432 -8.836 -7.636 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.227 -5.920 -8.280 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.149 -6.978 -7.230 1.00 0.00 H new ATOM 0 HG2 MET A 50 0.580 -7.028 -5.565 1.00 0.00 H new ATOM 0 HG3 MET A 50 1.791 -6.421 -6.677 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.802 -2.794 -6.140 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.709 -4.297 -5.845 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.023 -3.973 -7.455 1.00 0.00 H new ATOM 723 N VAL A 51 -1.447 -9.107 -9.290 1.00 0.00 N ATOM 724 CA VAL A 51 -2.350 -9.503 -10.357 1.00 0.00 C ATOM 725 C VAL A 51 -3.574 -8.585 -10.351 1.00 0.00 C ATOM 726 O VAL A 51 -4.532 -8.829 -9.619 1.00 0.00 O ATOM 727 CB VAL A 51 -2.710 -10.983 -10.217 1.00 0.00 C ATOM 728 CG1 VAL A 51 -3.836 -11.367 -11.180 1.00 0.00 C ATOM 729 CG2 VAL A 51 -1.481 -11.869 -10.428 1.00 0.00 C ATOM 0 H VAL A 51 -1.671 -9.498 -8.375 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.866 -9.392 -11.327 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.069 -11.146 -9.201 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.073 -12.424 -11.060 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.721 -10.770 -10.961 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.517 -11.181 -12.206 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.765 -12.916 -10.323 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.078 -11.701 -11.427 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.723 -11.622 -9.685 1.00 0.00 H new ATOM 739 N VAL A 52 -3.503 -7.550 -11.175 1.00 0.00 N ATOM 740 CA VAL A 52 -4.594 -6.596 -11.273 1.00 0.00 C ATOM 741 C VAL A 52 -5.862 -7.321 -11.726 1.00 0.00 C ATOM 742 O VAL A 52 -5.893 -7.909 -12.806 1.00 0.00 O ATOM 743 CB VAL A 52 -4.201 -5.444 -12.201 1.00 0.00 C ATOM 744 CG1 VAL A 52 -5.440 -4.744 -12.762 1.00 0.00 C ATOM 745 CG2 VAL A 52 -3.286 -4.449 -11.483 1.00 0.00 C ATOM 0 H VAL A 52 -2.707 -7.351 -11.781 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.803 -6.155 -10.298 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.646 -5.864 -13.040 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.132 -3.930 -13.418 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.037 -5.459 -13.327 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.035 -4.343 -11.941 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.022 -3.641 -12.165 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.804 -4.038 -10.616 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.380 -4.959 -11.156 1.00 0.00 H new ATOM 755 N LEU A 53 -6.878 -7.258 -10.878 1.00 0.00 N ATOM 756 CA LEU A 53 -8.145 -7.902 -11.177 1.00 0.00 C ATOM 757 C LEU A 53 -9.153 -6.846 -11.639 1.00 0.00 C ATOM 758 O LEU A 53 -9.761 -6.986 -12.699 1.00 0.00 O ATOM 759 CB LEU A 53 -8.623 -8.727 -9.981 1.00 0.00 C ATOM 760 CG LEU A 53 -7.546 -9.524 -9.243 1.00 0.00 C ATOM 761 CD1 LEU A 53 -8.063 -10.022 -7.891 1.00 0.00 C ATOM 762 CD2 LEU A 53 -7.019 -10.668 -10.112 1.00 0.00 C ATOM 0 H LEU A 53 -6.849 -6.770 -9.983 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.027 -8.611 -11.996 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.101 -8.055 -9.269 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.388 -9.422 -10.327 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.706 -8.859 -9.042 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.278 -10.586 -7.387 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.351 -9.170 -7.275 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.929 -10.666 -8.047 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.255 -11.219 -9.564 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.839 -11.340 -10.365 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.588 -10.261 -11.027 1.00 0.00 H new ATOM 774 N GLU A 54 -9.297 -5.815 -10.820 1.00 0.00 N ATOM 775 CA GLU A 54 -10.220 -4.737 -11.131 1.00 0.00 C ATOM 776 C GLU A 54 -9.458 -3.422 -11.311 1.00 0.00 C ATOM 777 O GLU A 54 -8.600 -3.082 -10.498 1.00 0.00 O ATOM 778 CB GLU A 54 -11.293 -4.604 -10.049 1.00 0.00 C ATOM 779 CG GLU A 54 -12.534 -5.426 -10.404 1.00 0.00 C ATOM 780 CD GLU A 54 -13.633 -5.242 -9.356 1.00 0.00 C ATOM 781 OE1 GLU A 54 -14.005 -4.072 -9.124 1.00 0.00 O ATOM 782 OE2 GLU A 54 -14.076 -6.276 -8.810 1.00 0.00 O ATOM 0 H GLU A 54 -8.790 -5.703 -9.942 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.723 -4.975 -12.068 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.893 -4.938 -9.092 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.568 -3.556 -9.931 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.906 -5.124 -11.383 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.268 -6.481 -10.475 1.00 0.00 H new ATOM 822 N GLU A 58 -7.851 4.679 -11.157 1.00 0.00 N ATOM 823 CA GLU A 58 -6.449 4.758 -10.782 1.00 0.00 C ATOM 824 C GLU A 58 -6.047 3.522 -9.976 1.00 0.00 C ATOM 825 O GLU A 58 -5.264 2.697 -10.447 1.00 0.00 O ATOM 826 CB GLU A 58 -6.162 6.041 -10.000 1.00 0.00 C ATOM 827 CG GLU A 58 -6.572 7.277 -10.804 1.00 0.00 C ATOM 828 CD GLU A 58 -7.959 7.769 -10.384 1.00 0.00 C ATOM 829 OE1 GLU A 58 -8.052 8.312 -9.262 1.00 0.00 O ATOM 830 OE2 GLU A 58 -8.893 7.593 -11.196 1.00 0.00 O ATOM 0 HA GLU A 58 -5.849 4.786 -11.692 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.702 6.023 -9.054 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.100 6.095 -9.760 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.840 8.071 -10.656 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.573 7.039 -11.868 1.00 0.00 H new ATOM 837 N TRP A 59 -6.597 3.433 -8.774 1.00 0.00 N ATOM 838 CA TRP A 59 -6.304 2.311 -7.898 1.00 0.00 C ATOM 839 C TRP A 59 -6.975 1.067 -8.483 1.00 0.00 C ATOM 840 O TRP A 59 -8.134 1.116 -8.891 1.00 0.00 O ATOM 841 CB TRP A 59 -6.743 2.608 -6.462 1.00 0.00 C ATOM 842 CG TRP A 59 -6.301 3.980 -5.948 1.00 0.00 C ATOM 843 CD1 TRP A 59 -6.844 5.175 -6.215 1.00 0.00 C ATOM 844 CD2 TRP A 59 -5.195 4.249 -5.060 1.00 0.00 C ATOM 845 NE1 TRP A 59 -6.172 6.192 -5.567 1.00 0.00 N ATOM 846 CE2 TRP A 59 -5.138 5.611 -4.843 1.00 0.00 C ATOM 847 CE3 TRP A 59 -4.274 3.372 -4.461 1.00 0.00 C ATOM 848 CZ2 TRP A 59 -4.176 6.216 -4.024 1.00 0.00 C ATOM 849 CZ3 TRP A 59 -3.320 3.993 -3.646 1.00 0.00 C ATOM 850 CH2 TRP A 59 -3.248 5.362 -3.417 1.00 0.00 C ATOM 0 H TRP A 59 -7.244 4.119 -8.386 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.230 2.134 -7.843 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.829 2.542 -6.404 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.341 1.838 -5.803 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -7.700 5.324 -6.857 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.394 7.187 -5.611 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.300 2.304 -4.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.152 7.285 -3.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -2.588 3.364 -3.161 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.480 5.765 -2.774 1.00 0.00 H new ATOM 861 N TRP A 60 -6.217 -0.019 -8.504 1.00 0.00 N ATOM 862 CA TRP A 60 -6.723 -1.276 -9.032 1.00 0.00 C ATOM 863 C TRP A 60 -6.622 -2.328 -7.927 1.00 0.00 C ATOM 864 O TRP A 60 -5.746 -2.247 -7.066 1.00 0.00 O ATOM 865 CB TRP A 60 -5.979 -1.674 -10.308 1.00 0.00 C ATOM 866 CG TRP A 60 -5.780 -0.523 -11.297 1.00 0.00 C ATOM 867 CD1 TRP A 60 -6.579 0.531 -11.508 1.00 0.00 C ATOM 868 CD2 TRP A 60 -4.673 -0.354 -12.207 1.00 0.00 C ATOM 869 NE1 TRP A 60 -6.070 1.365 -12.482 1.00 0.00 N ATOM 870 CE2 TRP A 60 -4.874 0.809 -12.921 1.00 0.00 C ATOM 871 CE3 TRP A 60 -3.538 -1.157 -12.419 1.00 0.00 C ATOM 872 CZ2 TRP A 60 -3.983 1.275 -13.895 1.00 0.00 C ATOM 873 CZ3 TRP A 60 -2.657 -0.678 -13.397 1.00 0.00 C ATOM 874 CH2 TRP A 60 -2.845 0.491 -14.125 1.00 0.00 C ATOM 0 H TRP A 60 -5.256 -0.055 -8.164 1.00 0.00 H new ATOM 0 HA TRP A 60 -7.769 -1.179 -9.324 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -5.004 -2.079 -10.037 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.530 -2.474 -10.803 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -7.506 0.706 -10.982 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.493 2.230 -12.818 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.360 -2.071 -11.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -4.163 2.190 -14.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.769 -1.258 -13.600 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -2.118 0.793 -14.864 1.00 0.00 H new ATOM 885 N LYS A 61 -7.528 -3.292 -7.986 1.00 0.00 N ATOM 886 CA LYS A 61 -7.551 -4.360 -7.001 1.00 0.00 C ATOM 887 C LYS A 61 -6.740 -5.548 -7.524 1.00 0.00 C ATOM 888 O LYS A 61 -7.250 -6.360 -8.295 1.00 0.00 O ATOM 889 CB LYS A 61 -8.992 -4.715 -6.629 1.00 0.00 C ATOM 890 CG LYS A 61 -9.031 -5.868 -5.624 1.00 0.00 C ATOM 891 CD LYS A 61 -10.051 -6.928 -6.045 1.00 0.00 C ATOM 892 CE LYS A 61 -10.788 -7.492 -4.828 1.00 0.00 C ATOM 893 NZ LYS A 61 -12.139 -7.959 -5.212 1.00 0.00 N ATOM 0 H LYS A 61 -8.252 -3.356 -8.701 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.078 -4.034 -6.075 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.488 -3.842 -6.205 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.545 -4.991 -7.526 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.042 -6.320 -5.546 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.286 -5.485 -4.636 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.769 -6.492 -6.740 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.545 -7.735 -6.575 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.219 -8.318 -4.401 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.867 -6.727 -4.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.626 -8.339 -4.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.685 -7.163 -5.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.057 -8.704 -5.933 1.00 0.00 H new ATOM 907 N ALA A 62 -5.493 -5.612 -7.083 1.00 0.00 N ATOM 908 CA ALA A 62 -4.607 -6.687 -7.497 1.00 0.00 C ATOM 909 C ALA A 62 -4.222 -7.524 -6.274 1.00 0.00 C ATOM 910 O ALA A 62 -4.324 -7.057 -5.141 1.00 0.00 O ATOM 911 CB ALA A 62 -3.387 -6.099 -8.208 1.00 0.00 C ATOM 0 H ALA A 62 -5.075 -4.937 -6.443 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.109 -7.347 -8.204 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.723 -6.906 -8.518 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.712 -5.539 -9.085 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.856 -5.433 -7.528 1.00 0.00 H new ATOM 917 N ARG A 63 -3.789 -8.746 -6.546 1.00 0.00 N ATOM 918 CA ARG A 63 -3.389 -9.652 -5.483 1.00 0.00 C ATOM 919 C ARG A 63 -1.869 -9.833 -5.484 1.00 0.00 C ATOM 920 O ARG A 63 -1.283 -10.177 -6.509 1.00 0.00 O ATOM 921 CB ARG A 63 -4.058 -11.018 -5.643 1.00 0.00 C ATOM 922 CG ARG A 63 -3.244 -12.112 -4.949 1.00 0.00 C ATOM 923 CD ARG A 63 -2.455 -12.938 -5.968 1.00 0.00 C ATOM 924 NE ARG A 63 -3.377 -13.785 -6.756 1.00 0.00 N ATOM 925 CZ ARG A 63 -2.994 -14.859 -7.460 1.00 0.00 C ATOM 926 NH1 ARG A 63 -1.706 -15.224 -7.478 1.00 0.00 N ATOM 927 NH2 ARG A 63 -3.901 -15.568 -8.146 1.00 0.00 N ATOM 0 H ARG A 63 -3.706 -9.130 -7.487 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.706 -9.214 -4.537 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.063 -10.986 -5.223 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.162 -11.254 -6.702 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.558 -11.661 -4.232 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.911 -12.764 -4.385 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.899 -12.276 -6.632 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.724 -13.562 -5.454 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.366 -13.536 -6.764 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.016 -14.685 -6.956 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.415 -16.042 -8.014 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.882 -15.290 -8.132 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.610 -16.386 -8.682 1.00 0.00 H new ATOM 941 N SER A 64 -1.276 -9.593 -4.325 1.00 0.00 N ATOM 942 CA SER A 64 0.164 -9.725 -4.179 1.00 0.00 C ATOM 943 C SER A 64 0.599 -11.144 -4.549 1.00 0.00 C ATOM 944 O SER A 64 0.001 -12.119 -4.094 1.00 0.00 O ATOM 945 CB SER A 64 0.607 -9.389 -2.754 1.00 0.00 C ATOM 946 OG SER A 64 1.964 -8.959 -2.704 1.00 0.00 O ATOM 0 H SER A 64 -1.766 -9.308 -3.477 1.00 0.00 H new ATOM 0 HA SER A 64 0.642 -9.017 -4.855 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.036 -8.607 -2.349 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.481 -10.266 -2.119 1.00 0.00 H new ATOM 0 HG SER A 64 2.079 -8.173 -3.277 1.00 0.00 H new ATOM 952 N LEU A 65 1.636 -11.217 -5.371 1.00 0.00 N ATOM 953 CA LEU A 65 2.158 -12.500 -5.808 1.00 0.00 C ATOM 954 C LEU A 65 3.202 -12.990 -4.801 1.00 0.00 C ATOM 955 O LEU A 65 4.019 -13.852 -5.120 1.00 0.00 O ATOM 956 CB LEU A 65 2.682 -12.406 -7.241 1.00 0.00 C ATOM 957 CG LEU A 65 1.636 -12.546 -8.348 1.00 0.00 C ATOM 958 CD1 LEU A 65 2.206 -12.109 -9.699 1.00 0.00 C ATOM 959 CD2 LEU A 65 1.075 -13.969 -8.396 1.00 0.00 C ATOM 0 H LEU A 65 2.129 -10.407 -5.746 1.00 0.00 H new ATOM 0 HA LEU A 65 1.364 -13.246 -5.833 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.183 -11.445 -7.361 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.437 -13.179 -7.382 1.00 0.00 H new ATOM 0 HG LEU A 65 0.804 -11.880 -8.118 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.442 -12.218 -10.469 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.517 -11.066 -9.642 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.065 -12.731 -9.950 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.334 -14.041 -9.192 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.884 -14.673 -8.589 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.607 -14.208 -7.441 1.00 0.00 H new ATOM 971 N ALA A 66 3.140 -12.419 -3.607 1.00 0.00 N ATOM 972 CA ALA A 66 4.070 -12.786 -2.553 1.00 0.00 C ATOM 973 C ALA A 66 3.288 -13.327 -1.355 1.00 0.00 C ATOM 974 O ALA A 66 3.717 -14.281 -0.708 1.00 0.00 O ATOM 975 CB ALA A 66 4.932 -11.577 -2.188 1.00 0.00 C ATOM 0 H ALA A 66 2.460 -11.705 -3.346 1.00 0.00 H new ATOM 0 HA ALA A 66 4.742 -13.574 -2.892 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.630 -11.853 -1.397 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.489 -11.249 -3.066 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.292 -10.766 -1.841 1.00 0.00 H new ATOM 981 N THR A 67 2.152 -12.695 -1.095 1.00 0.00 N ATOM 982 CA THR A 67 1.306 -13.100 0.014 1.00 0.00 C ATOM 983 C THR A 67 -0.107 -13.413 -0.480 1.00 0.00 C ATOM 984 O THR A 67 -1.032 -13.553 0.320 1.00 0.00 O ATOM 985 CB THR A 67 1.350 -11.996 1.071 1.00 0.00 C ATOM 986 OG1 THR A 67 1.087 -10.803 0.338 1.00 0.00 O ATOM 987 CG2 THR A 67 2.756 -11.783 1.637 1.00 0.00 C ATOM 0 H THR A 67 1.798 -11.905 -1.634 1.00 0.00 H new ATOM 0 HA THR A 67 1.668 -14.021 0.471 1.00 0.00 H new ATOM 0 HB THR A 67 0.665 -12.243 1.882 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.661 -10.082 0.670 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.731 -10.989 2.383 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.105 -12.706 2.101 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.434 -11.503 0.831 1.00 0.00 H new ATOM 995 N ARG A 68 -0.231 -13.511 -1.796 1.00 0.00 N ATOM 996 CA ARG A 68 -1.518 -13.804 -2.405 1.00 0.00 C ATOM 997 C ARG A 68 -2.610 -12.928 -1.788 1.00 0.00 C ATOM 998 O ARG A 68 -3.785 -13.291 -1.806 1.00 0.00 O ATOM 999 CB ARG A 68 -1.890 -15.276 -2.225 1.00 0.00 C ATOM 1000 CG ARG A 68 -2.175 -15.594 -0.755 1.00 0.00 C ATOM 1001 CD ARG A 68 -2.958 -16.901 -0.618 1.00 0.00 C ATOM 1002 NE ARG A 68 -3.113 -17.250 0.811 1.00 0.00 N ATOM 1003 CZ ARG A 68 -2.201 -17.927 1.524 1.00 0.00 C ATOM 1004 NH1 ARG A 68 -1.063 -18.331 0.942 1.00 0.00 N ATOM 1005 NH2 ARG A 68 -2.428 -18.199 2.816 1.00 0.00 N ATOM 0 H ARG A 68 0.537 -13.393 -2.457 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.437 -13.590 -3.471 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.768 -15.509 -2.828 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.078 -15.907 -2.586 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.236 -15.670 -0.207 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.741 -14.778 -0.306 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.938 -16.798 -1.084 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.438 -17.703 -1.142 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.968 -16.957 1.284 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.892 -18.123 -0.042 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.368 -18.846 1.483 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.295 -17.891 3.257 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.734 -18.714 3.358 1.00 0.00 H new ATOM 1019 N LYS A 69 -2.183 -11.792 -1.255 1.00 0.00 N ATOM 1020 CA LYS A 69 -3.109 -10.863 -0.633 1.00 0.00 C ATOM 1021 C LYS A 69 -4.031 -10.276 -1.703 1.00 0.00 C ATOM 1022 O LYS A 69 -3.876 -10.566 -2.888 1.00 0.00 O ATOM 1023 CB LYS A 69 -2.350 -9.806 0.172 1.00 0.00 C ATOM 1024 CG LYS A 69 -2.058 -10.302 1.589 1.00 0.00 C ATOM 1025 CD LYS A 69 -0.993 -9.436 2.265 1.00 0.00 C ATOM 1026 CE LYS A 69 -1.026 -9.610 3.784 1.00 0.00 C ATOM 1027 NZ LYS A 69 0.096 -8.880 4.415 1.00 0.00 N ATOM 0 H LYS A 69 -1.207 -11.495 -1.242 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.743 -11.382 0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.415 -9.562 -0.332 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.936 -8.888 0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.974 -10.285 2.180 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.720 -11.338 1.553 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.007 -9.705 1.886 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.157 -8.389 2.012 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.974 -9.242 4.177 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.966 -10.669 4.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.058 -9.009 5.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.998 -9.250 4.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.022 -7.867 4.190 1.00 0.00 H new ATOM 1041 N GLU A 70 -4.971 -9.460 -1.246 1.00 0.00 N ATOM 1042 CA GLU A 70 -5.918 -8.829 -2.151 1.00 0.00 C ATOM 1043 C GLU A 70 -6.345 -7.465 -1.604 1.00 0.00 C ATOM 1044 O GLU A 70 -6.754 -7.355 -0.449 1.00 0.00 O ATOM 1045 CB GLU A 70 -7.132 -9.728 -2.388 1.00 0.00 C ATOM 1046 CG GLU A 70 -6.853 -10.743 -3.499 1.00 0.00 C ATOM 1047 CD GLU A 70 -7.979 -11.776 -3.595 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -9.146 -11.360 -3.418 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -7.648 -12.955 -3.842 1.00 0.00 O ATOM 0 H GLU A 70 -5.097 -9.222 -0.262 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.427 -8.677 -3.112 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.386 -10.252 -1.467 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.994 -9.118 -2.656 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.748 -10.225 -4.452 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.907 -11.248 -3.305 1.00 0.00 H new ATOM 1056 N GLY A 71 -6.236 -6.460 -2.461 1.00 0.00 N ATOM 1057 CA GLY A 71 -6.606 -5.108 -2.078 1.00 0.00 C ATOM 1058 C GLY A 71 -6.324 -4.121 -3.212 1.00 0.00 C ATOM 1059 O GLY A 71 -5.676 -4.470 -4.198 1.00 0.00 O ATOM 0 H GLY A 71 -5.897 -6.555 -3.418 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.664 -5.076 -1.818 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.050 -4.813 -1.188 1.00 0.00 H new ATOM 1063 N TYR A 72 -6.826 -2.907 -3.036 1.00 0.00 N ATOM 1064 CA TYR A 72 -6.636 -1.867 -4.032 1.00 0.00 C ATOM 1065 C TYR A 72 -5.225 -1.281 -3.952 1.00 0.00 C ATOM 1066 O TYR A 72 -4.753 -0.935 -2.870 1.00 0.00 O ATOM 1067 CB TYR A 72 -7.650 -0.771 -3.697 1.00 0.00 C ATOM 1068 CG TYR A 72 -9.100 -1.153 -3.999 1.00 0.00 C ATOM 1069 CD1 TYR A 72 -9.435 -1.671 -5.233 1.00 0.00 C ATOM 1070 CD2 TYR A 72 -10.074 -0.978 -3.036 1.00 0.00 C ATOM 1071 CE1 TYR A 72 -10.801 -2.030 -5.517 1.00 0.00 C ATOM 1072 CE2 TYR A 72 -11.440 -1.337 -3.321 1.00 0.00 C ATOM 1073 CZ TYR A 72 -11.736 -1.845 -4.547 1.00 0.00 C ATOM 1074 OH TYR A 72 -13.025 -2.184 -4.815 1.00 0.00 O ATOM 0 H TYR A 72 -7.364 -2.621 -2.218 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.771 -2.269 -5.036 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.563 -0.521 -2.640 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.397 0.128 -4.259 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.673 -1.807 -5.986 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -9.812 -0.572 -2.070 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -11.076 -2.437 -6.479 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.212 -1.205 -2.577 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.582 -1.999 -4.030 1.00 0.00 H new ATOM 1084 N ILE A 73 -4.590 -1.187 -5.112 1.00 0.00 N ATOM 1085 CA ILE A 73 -3.243 -0.649 -5.187 1.00 0.00 C ATOM 1086 C ILE A 73 -3.212 0.499 -6.197 1.00 0.00 C ATOM 1087 O ILE A 73 -3.999 0.521 -7.142 1.00 0.00 O ATOM 1088 CB ILE A 73 -2.237 -1.762 -5.489 1.00 0.00 C ATOM 1089 CG1 ILE A 73 -2.663 -2.564 -6.721 1.00 0.00 C ATOM 1090 CG2 ILE A 73 -2.027 -2.658 -4.267 1.00 0.00 C ATOM 1091 CD1 ILE A 73 -1.549 -2.587 -7.771 1.00 0.00 C ATOM 0 H ILE A 73 -4.984 -1.475 -6.008 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.945 -0.234 -4.224 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.276 -1.302 -5.719 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.912 -3.584 -6.427 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.564 -2.127 -7.151 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.308 -3.440 -4.509 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.648 -2.060 -3.438 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.976 -3.113 -3.982 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.877 -3.163 -8.636 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.319 -1.567 -8.080 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.657 -3.047 -7.345 1.00 0.00 H new ATOM 1103 N PRO A 74 -2.270 1.450 -5.958 1.00 0.00 N ATOM 1104 CA PRO A 74 -2.126 2.599 -6.836 1.00 0.00 C ATOM 1105 C PRO A 74 -1.445 2.205 -8.147 1.00 0.00 C ATOM 1106 O PRO A 74 -0.499 1.418 -8.148 1.00 0.00 O ATOM 1107 CB PRO A 74 -1.327 3.611 -6.032 1.00 0.00 C ATOM 1108 CG PRO A 74 -0.657 2.823 -4.918 1.00 0.00 C ATOM 1109 CD PRO A 74 -1.321 1.458 -4.849 1.00 0.00 C ATOM 0 HA PRO A 74 -3.085 3.019 -7.139 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.587 4.110 -6.657 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -1.976 4.387 -5.626 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.410 2.719 -5.113 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.758 3.345 -3.967 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.589 0.656 -4.949 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.826 1.311 -3.894 1.00 0.00 H new ATOM 1117 N SER A 75 -1.951 2.769 -9.234 1.00 0.00 N ATOM 1118 CA SER A 75 -1.403 2.487 -10.549 1.00 0.00 C ATOM 1119 C SER A 75 -0.216 3.409 -10.831 1.00 0.00 C ATOM 1120 O SER A 75 0.652 3.082 -11.639 1.00 0.00 O ATOM 1121 CB SER A 75 -2.468 2.645 -11.635 1.00 0.00 C ATOM 1122 OG SER A 75 -1.897 2.973 -12.899 1.00 0.00 O ATOM 0 H SER A 75 -2.736 3.421 -9.230 1.00 0.00 H new ATOM 0 HA SER A 75 -1.061 1.452 -10.562 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.036 1.719 -11.723 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.172 3.424 -11.342 1.00 0.00 H new ATOM 0 HG SER A 75 -2.365 2.483 -13.607 1.00 0.00 H new ATOM 1128 N ASN A 76 -0.216 4.545 -10.149 1.00 0.00 N ATOM 1129 CA ASN A 76 0.851 5.518 -10.316 1.00 0.00 C ATOM 1130 C ASN A 76 2.114 5.008 -9.619 1.00 0.00 C ATOM 1131 O ASN A 76 3.187 5.591 -9.767 1.00 0.00 O ATOM 1132 CB ASN A 76 0.474 6.861 -9.688 1.00 0.00 C ATOM 1133 CG ASN A 76 0.607 6.812 -8.165 1.00 0.00 C ATOM 1134 OD1 ASN A 76 0.619 5.758 -7.550 1.00 0.00 O ATOM 1135 ND2 ASN A 76 0.708 8.007 -7.591 1.00 0.00 N ATOM 0 H ASN A 76 -0.937 4.814 -9.480 1.00 0.00 H new ATOM 0 HA ASN A 76 1.020 5.654 -11.384 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.116 7.646 -10.087 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.550 7.118 -9.959 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.802 8.080 -6.578 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.691 8.851 -8.164 1.00 0.00 H new ATOM 1142 N TYR A 77 1.944 3.926 -8.873 1.00 0.00 N ATOM 1143 CA TYR A 77 3.057 3.332 -8.152 1.00 0.00 C ATOM 1144 C TYR A 77 3.471 2.001 -8.784 1.00 0.00 C ATOM 1145 O TYR A 77 4.553 1.487 -8.505 1.00 0.00 O ATOM 1146 CB TYR A 77 2.549 3.072 -6.733 1.00 0.00 C ATOM 1147 CG TYR A 77 3.116 4.031 -5.684 1.00 0.00 C ATOM 1148 CD1 TYR A 77 3.149 5.387 -5.935 1.00 0.00 C ATOM 1149 CD2 TYR A 77 3.593 3.541 -4.486 1.00 0.00 C ATOM 1150 CE1 TYR A 77 3.682 6.290 -4.949 1.00 0.00 C ATOM 1151 CE2 TYR A 77 4.127 4.443 -3.499 1.00 0.00 C ATOM 1152 CZ TYR A 77 4.145 5.774 -3.779 1.00 0.00 C ATOM 1153 OH TYR A 77 4.649 6.626 -2.847 1.00 0.00 O ATOM 0 H TYR A 77 1.052 3.445 -8.752 1.00 0.00 H new ATOM 0 HA TYR A 77 3.924 3.993 -8.172 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.462 3.146 -6.728 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.800 2.050 -6.450 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.775 5.771 -6.872 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.566 2.480 -4.288 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.714 7.354 -5.134 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.505 4.071 -2.558 1.00 0.00 H new ATOM 0 HH TYR A 77 4.310 7.530 -3.013 1.00 0.00 H new ATOM 1163 N VAL A 78 2.589 1.482 -9.624 1.00 0.00 N ATOM 1164 CA VAL A 78 2.849 0.221 -10.298 1.00 0.00 C ATOM 1165 C VAL A 78 3.258 0.497 -11.746 1.00 0.00 C ATOM 1166 O VAL A 78 3.226 1.641 -12.197 1.00 0.00 O ATOM 1167 CB VAL A 78 1.628 -0.694 -10.187 1.00 0.00 C ATOM 1168 CG1 VAL A 78 1.111 -0.746 -8.747 1.00 0.00 C ATOM 1169 CG2 VAL A 78 0.523 -0.254 -11.150 1.00 0.00 C ATOM 0 H VAL A 78 1.693 1.912 -9.854 1.00 0.00 H new ATOM 0 HA VAL A 78 3.676 -0.304 -9.820 1.00 0.00 H new ATOM 0 HB VAL A 78 1.937 -1.700 -10.469 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.243 -1.403 -8.696 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.895 -1.128 -8.093 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.827 0.256 -8.426 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.333 -0.921 -11.051 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.218 0.765 -10.913 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.896 -0.292 -12.174 1.00 0.00 H new ATOM 1179 N ALA A 79 3.635 -0.570 -12.435 1.00 0.00 N ATOM 1180 CA ALA A 79 4.051 -0.458 -13.823 1.00 0.00 C ATOM 1181 C ALA A 79 3.937 -1.826 -14.498 1.00 0.00 C ATOM 1182 O ALA A 79 4.733 -2.724 -14.229 1.00 0.00 O ATOM 1183 CB ALA A 79 5.472 0.106 -13.885 1.00 0.00 C ATOM 0 H ALA A 79 3.661 -1.517 -12.058 1.00 0.00 H new ATOM 0 HA ALA A 79 3.402 0.231 -14.364 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.785 0.190 -14.926 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.493 1.091 -13.419 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.152 -0.561 -13.355 1.00 0.00 H new ATOM 1189 N ARG A 80 2.939 -1.941 -15.362 1.00 0.00 N ATOM 1190 CA ARG A 80 2.709 -3.185 -16.078 1.00 0.00 C ATOM 1191 C ARG A 80 4.043 -3.854 -16.420 1.00 0.00 C ATOM 1192 O ARG A 80 4.999 -3.182 -16.801 1.00 0.00 O ATOM 1193 CB ARG A 80 1.924 -2.940 -17.368 1.00 0.00 C ATOM 1194 CG ARG A 80 0.429 -3.181 -17.154 1.00 0.00 C ATOM 1195 CD ARG A 80 -0.178 -3.948 -18.331 1.00 0.00 C ATOM 1196 NE ARG A 80 -1.277 -3.162 -18.934 1.00 0.00 N ATOM 1197 CZ ARG A 80 -1.897 -3.491 -20.076 1.00 0.00 C ATOM 1198 NH1 ARG A 80 -1.528 -4.591 -20.745 1.00 0.00 N ATOM 1199 NH2 ARG A 80 -2.884 -2.718 -20.549 1.00 0.00 N ATOM 0 H ARG A 80 2.281 -1.194 -15.582 1.00 0.00 H new ATOM 0 HA ARG A 80 2.126 -3.839 -15.430 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.086 -1.917 -17.708 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.293 -3.599 -18.154 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.276 -3.742 -16.232 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.083 -2.226 -17.035 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.589 -4.149 -19.079 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.554 -4.913 -17.992 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.582 -2.317 -18.451 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.775 -5.178 -20.385 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.000 -4.842 -21.614 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.163 -1.879 -20.040 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.356 -2.968 -21.418 1.00 0.00 H new ATOM 1213 N VAL A 81 4.061 -5.170 -16.272 1.00 0.00 N ATOM 1214 CA VAL A 81 5.261 -5.938 -16.560 1.00 0.00 C ATOM 1215 C VAL A 81 5.610 -5.793 -18.043 1.00 0.00 C ATOM 1216 O VAL A 81 6.784 -5.813 -18.413 1.00 0.00 O ATOM 1217 CB VAL A 81 5.067 -7.394 -16.132 1.00 0.00 C ATOM 1218 CG1 VAL A 81 4.739 -8.281 -17.336 1.00 0.00 C ATOM 1219 CG2 VAL A 81 6.295 -7.915 -15.384 1.00 0.00 C ATOM 0 H VAL A 81 3.265 -5.724 -15.957 1.00 0.00 H new ATOM 0 HA VAL A 81 6.106 -5.555 -15.987 1.00 0.00 H new ATOM 0 HB VAL A 81 4.219 -7.431 -15.448 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.606 -9.311 -17.004 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.821 -7.930 -17.807 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.556 -8.235 -18.056 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.130 -8.952 -15.091 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.169 -7.856 -16.033 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.463 -7.309 -14.494 1.00 0.00 H new ATOM 1229 N ASP A 82 4.571 -5.650 -18.852 1.00 0.00 N ATOM 1230 CA ASP A 82 4.753 -5.502 -20.285 1.00 0.00 C ATOM 1231 C ASP A 82 4.965 -4.023 -20.618 1.00 0.00 C ATOM 1232 O ASP A 82 4.923 -3.633 -21.784 1.00 0.00 O ATOM 1233 CB ASP A 82 3.520 -5.986 -21.050 1.00 0.00 C ATOM 1234 CG ASP A 82 3.818 -6.709 -22.366 1.00 0.00 C ATOM 1235 OD1 ASP A 82 4.935 -6.501 -22.888 1.00 0.00 O ATOM 1236 OD2 ASP A 82 2.923 -7.455 -22.819 1.00 0.00 O ATOM 0 H ASP A 82 3.599 -5.634 -18.542 1.00 0.00 H new ATOM 0 HA ASP A 82 5.617 -6.099 -20.578 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.951 -6.656 -20.406 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.882 -5.128 -21.261 1.00 0.00 H new ATOM 1241 N SER A 83 5.189 -3.241 -19.573 1.00 0.00 N ATOM 1242 CA SER A 83 5.408 -1.814 -19.739 1.00 0.00 C ATOM 1243 C SER A 83 6.792 -1.431 -19.211 1.00 0.00 C ATOM 1244 O SER A 83 7.000 -0.304 -18.765 1.00 0.00 O ATOM 1245 CB SER A 83 4.324 -1.004 -19.024 1.00 0.00 C ATOM 1246 OG SER A 83 4.356 0.372 -19.394 1.00 0.00 O ATOM 0 H SER A 83 5.224 -3.568 -18.608 1.00 0.00 H new ATOM 0 HA SER A 83 5.356 -1.582 -20.803 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.345 -1.420 -19.260 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.457 -1.093 -17.946 1.00 0.00 H new ATOM 0 HG SER A 83 5.272 0.711 -19.314 1.00 0.00 H new ATOM 1378 N PRO B 124 -6.540 11.092 -5.196 1.00 0.00 N ATOM 1379 CA PRO B 124 -5.799 11.468 -6.389 1.00 0.00 C ATOM 1380 C PRO B 124 -4.428 10.788 -6.420 1.00 0.00 C ATOM 1381 O PRO B 124 -3.405 11.454 -6.569 1.00 0.00 O ATOM 1382 CB PRO B 124 -5.710 12.985 -6.335 1.00 0.00 C ATOM 1383 CG PRO B 124 -5.992 13.367 -4.892 1.00 0.00 C ATOM 1384 CD PRO B 124 -6.581 12.153 -4.194 1.00 0.00 C ATOM 0 HA PRO B 124 -6.288 11.144 -7.308 1.00 0.00 H new ATOM 0 HB2 PRO B 124 -4.723 13.330 -6.645 1.00 0.00 H new ATOM 0 HB3 PRO B 124 -6.434 13.443 -7.009 1.00 0.00 H new ATOM 0 HG2 PRO B 124 -5.075 13.685 -4.395 1.00 0.00 H new ATOM 0 HG3 PRO B 124 -6.686 14.206 -4.848 1.00 0.00 H new ATOM 0 HD2 PRO B 124 -6.002 11.885 -3.310 1.00 0.00 H new ATOM 0 HD3 PRO B 124 -7.601 12.344 -3.861 1.00 0.00 H new ATOM 1392 N LEU B 125 -4.453 9.471 -6.277 1.00 0.00 N ATOM 1393 CA LEU B 125 -3.225 8.695 -6.287 1.00 0.00 C ATOM 1394 C LEU B 125 -2.318 9.169 -5.150 1.00 0.00 C ATOM 1395 O LEU B 125 -2.411 10.316 -4.714 1.00 0.00 O ATOM 1396 CB LEU B 125 -2.566 8.753 -7.666 1.00 0.00 C ATOM 1397 CG LEU B 125 -3.139 7.808 -8.723 1.00 0.00 C ATOM 1398 CD1 LEU B 125 -2.789 8.286 -10.134 1.00 0.00 C ATOM 1399 CD2 LEU B 125 -2.683 6.367 -8.477 1.00 0.00 C ATOM 0 H LEU B 125 -5.304 8.922 -6.154 1.00 0.00 H new ATOM 0 HA LEU B 125 -3.438 7.641 -6.106 1.00 0.00 H new ATOM 0 HB2 LEU B 125 -2.642 9.774 -8.040 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -1.505 8.535 -7.549 1.00 0.00 H new ATOM 0 HG LEU B 125 -4.226 7.821 -8.638 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -3.208 7.596 -10.866 1.00 0.00 H new ATOM 0 HD12 LEU B 125 -3.203 9.281 -10.294 1.00 0.00 H new ATOM 0 HD13 LEU B 125 -1.706 8.321 -10.248 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -3.105 5.716 -9.243 1.00 0.00 H new ATOM 0 HD22 LEU B 125 -1.595 6.318 -8.518 1.00 0.00 H new ATOM 0 HD23 LEU B 125 -3.024 6.040 -7.495 1.00 0.00 H new ATOM 1411 N PRO B 126 -1.437 8.239 -4.691 1.00 0.00 N ATOM 1412 CA PRO B 126 -0.514 8.551 -3.613 1.00 0.00 C ATOM 1413 C PRO B 126 0.629 9.438 -4.111 1.00 0.00 C ATOM 1414 O PRO B 126 0.852 9.553 -5.315 1.00 0.00 O ATOM 1415 CB PRO B 126 -0.039 7.202 -3.100 1.00 0.00 C ATOM 1416 CG PRO B 126 -0.351 6.203 -4.202 1.00 0.00 C ATOM 1417 CD PRO B 126 -1.300 6.871 -5.182 1.00 0.00 C ATOM 0 HA PRO B 126 -0.980 9.125 -2.812 1.00 0.00 H new ATOM 0 HB2 PRO B 126 1.029 7.221 -2.881 1.00 0.00 H new ATOM 0 HB3 PRO B 126 -0.549 6.935 -2.175 1.00 0.00 H new ATOM 0 HG2 PRO B 126 0.564 5.894 -4.707 1.00 0.00 H new ATOM 0 HG3 PRO B 126 -0.804 5.304 -3.785 1.00 0.00 H new ATOM 0 HD2 PRO B 126 -0.900 6.852 -6.196 1.00 0.00 H new ATOM 0 HD3 PRO B 126 -2.263 6.362 -5.210 1.00 0.00 H new ATOM 1425 N PRO B 127 1.344 10.057 -3.133 1.00 0.00 N ATOM 1426 CA PRO B 127 2.460 10.929 -3.459 1.00 0.00 C ATOM 1427 C PRO B 127 3.683 10.117 -3.888 1.00 0.00 C ATOM 1428 O PRO B 127 4.186 9.295 -3.123 1.00 0.00 O ATOM 1429 CB PRO B 127 2.700 11.747 -2.202 1.00 0.00 C ATOM 1430 CG PRO B 127 2.024 10.986 -1.073 1.00 0.00 C ATOM 1431 CD PRO B 127 1.111 9.943 -1.697 1.00 0.00 C ATOM 0 HA PRO B 127 2.251 11.581 -4.308 1.00 0.00 H new ATOM 0 HB2 PRO B 127 3.767 11.864 -2.010 1.00 0.00 H new ATOM 0 HB3 PRO B 127 2.282 12.749 -2.302 1.00 0.00 H new ATOM 0 HG2 PRO B 127 2.768 10.510 -0.434 1.00 0.00 H new ATOM 0 HG3 PRO B 127 1.452 11.667 -0.443 1.00 0.00 H new ATOM 0 HD2 PRO B 127 1.348 8.942 -1.336 1.00 0.00 H new ATOM 0 HD3 PRO B 127 0.067 10.132 -1.449 1.00 0.00 H new ATOM 1439 N LEU B 128 4.128 10.376 -5.109 1.00 0.00 N ATOM 1440 CA LEU B 128 5.284 9.680 -5.648 1.00 0.00 C ATOM 1441 C LEU B 128 6.513 10.012 -4.802 1.00 0.00 C ATOM 1442 O LEU B 128 6.761 11.175 -4.489 1.00 0.00 O ATOM 1443 CB LEU B 128 5.455 9.999 -7.135 1.00 0.00 C ATOM 1444 CG LEU B 128 4.606 9.168 -8.101 1.00 0.00 C ATOM 1445 CD1 LEU B 128 4.958 9.491 -9.554 1.00 0.00 C ATOM 1446 CD2 LEU B 128 4.732 7.674 -7.798 1.00 0.00 C ATOM 0 H LEU B 128 3.709 11.058 -5.740 1.00 0.00 H new ATOM 0 HA LEU B 128 5.141 8.601 -5.592 1.00 0.00 H new ATOM 0 HB2 LEU B 128 5.220 11.052 -7.290 1.00 0.00 H new ATOM 0 HB3 LEU B 128 6.504 9.865 -7.397 1.00 0.00 H new ATOM 0 HG LEU B 128 3.560 9.437 -7.955 1.00 0.00 H new ATOM 0 HD11 LEU B 128 4.341 8.888 -10.220 1.00 0.00 H new ATOM 0 HD12 LEU B 128 4.774 10.548 -9.747 1.00 0.00 H new ATOM 0 HD13 LEU B 128 6.010 9.268 -9.732 1.00 0.00 H new ATOM 0 HD21 LEU B 128 4.119 7.108 -8.499 1.00 0.00 H new ATOM 0 HD22 LEU B 128 5.774 7.369 -7.898 1.00 0.00 H new ATOM 0 HD23 LEU B 128 4.393 7.479 -6.780 1.00 0.00 H new ATOM 1458 N PRO B 129 7.273 8.941 -4.447 1.00 0.00 N ATOM 1459 CA PRO B 129 8.472 9.108 -3.643 1.00 0.00 C ATOM 1460 C PRO B 129 9.617 9.685 -4.478 1.00 0.00 C ATOM 1461 O PRO B 129 10.537 10.295 -3.938 1.00 0.00 O ATOM 1462 CB PRO B 129 8.776 7.721 -3.098 1.00 0.00 C ATOM 1463 CG PRO B 129 8.014 6.749 -3.984 1.00 0.00 C ATOM 1464 CD PRO B 129 7.011 7.549 -4.799 1.00 0.00 C ATOM 0 HA PRO B 129 8.337 9.821 -2.830 1.00 0.00 H new ATOM 0 HB2 PRO B 129 9.846 7.517 -3.125 1.00 0.00 H new ATOM 0 HB3 PRO B 129 8.460 7.632 -2.059 1.00 0.00 H new ATOM 0 HG2 PRO B 129 8.699 6.214 -4.641 1.00 0.00 H new ATOM 0 HG3 PRO B 129 7.503 6.000 -3.378 1.00 0.00 H new ATOM 0 HD2 PRO B 129 7.144 7.379 -5.867 1.00 0.00 H new ATOM 0 HD3 PRO B 129 5.987 7.265 -4.556 1.00 0.00 H new