USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=9 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 132:sc= 1.11 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc=-0.00539 X(o=-0.0054,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.38! K(o=-2.4!,f=-1.1) USER MOD Single : A 50 MET CE :methyl 180:sc= -0.149 (180deg=-0.149) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -140:sc= -1.07 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 133:sc= 0.92 USER MOD Single : A 76 ASN : amide:sc= -6.71! C(o=-6.7!,f=-15!) USER MOD Single : A 77 TYR OH : rot 17:sc= -0.247 USER MOD Single : A 83 SER OG : rot -48:sc= 0.437 USER MOD ----------------------------------------------------------------- ATOM 323 N ILE A 26 -3.415 -8.453 -15.308 1.00 0.00 N ATOM 324 CA ILE A 26 -2.578 -7.287 -15.533 1.00 0.00 C ATOM 325 C ILE A 26 -1.482 -7.239 -14.466 1.00 0.00 C ATOM 326 O ILE A 26 -1.693 -6.704 -13.379 1.00 0.00 O ATOM 327 CB ILE A 26 -3.432 -6.019 -15.595 1.00 0.00 C ATOM 328 CG1 ILE A 26 -4.104 -5.876 -16.963 1.00 0.00 C ATOM 329 CG2 ILE A 26 -2.606 -4.784 -15.231 1.00 0.00 C ATOM 330 CD1 ILE A 26 -3.136 -5.286 -17.990 1.00 0.00 C ATOM 0 HA ILE A 26 -2.080 -7.356 -16.500 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.226 -6.106 -14.854 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.453 -6.851 -17.305 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.982 -5.236 -16.876 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.237 -3.896 -15.283 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.215 -4.893 -14.219 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.777 -4.681 -15.931 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.638 -5.195 -18.953 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.808 -4.301 -17.657 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.271 -5.941 -18.093 1.00 0.00 H new ATOM 342 N ILE A 27 -0.336 -7.803 -14.816 1.00 0.00 N ATOM 343 CA ILE A 27 0.794 -7.831 -13.903 1.00 0.00 C ATOM 344 C ILE A 27 1.484 -6.466 -13.909 1.00 0.00 C ATOM 345 O ILE A 27 1.883 -5.973 -14.964 1.00 0.00 O ATOM 346 CB ILE A 27 1.729 -8.994 -14.242 1.00 0.00 C ATOM 347 CG1 ILE A 27 0.937 -10.279 -14.492 1.00 0.00 C ATOM 348 CG2 ILE A 27 2.792 -9.177 -13.157 1.00 0.00 C ATOM 349 CD1 ILE A 27 0.285 -10.780 -13.202 1.00 0.00 C ATOM 0 H ILE A 27 -0.165 -8.244 -15.720 1.00 0.00 H new ATOM 0 HA ILE A 27 0.454 -8.012 -12.883 1.00 0.00 H new ATOM 0 HB ILE A 27 2.252 -8.753 -15.167 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.170 -10.097 -15.245 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.599 -11.047 -14.891 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.443 -10.010 -13.422 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.385 -8.266 -13.071 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.307 -9.386 -12.204 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.272 -11.694 -13.407 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.057 -10.984 -12.460 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.395 -10.019 -12.819 1.00 0.00 H new ATOM 361 N VAL A 28 1.601 -5.892 -12.721 1.00 0.00 N ATOM 362 CA VAL A 28 2.235 -4.593 -12.576 1.00 0.00 C ATOM 363 C VAL A 28 3.231 -4.642 -11.415 1.00 0.00 C ATOM 364 O VAL A 28 2.879 -5.050 -10.309 1.00 0.00 O ATOM 365 CB VAL A 28 1.171 -3.506 -12.406 1.00 0.00 C ATOM 366 CG1 VAL A 28 0.257 -3.438 -13.631 1.00 0.00 C ATOM 367 CG2 VAL A 28 0.360 -3.730 -11.128 1.00 0.00 C ATOM 0 H VAL A 28 1.267 -6.303 -11.849 1.00 0.00 H new ATOM 0 HA VAL A 28 2.797 -4.341 -13.475 1.00 0.00 H new ATOM 0 HB VAL A 28 1.681 -2.547 -12.316 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.490 -2.658 -13.485 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.851 -3.210 -14.516 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.242 -4.398 -13.766 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.389 -2.944 -11.030 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.135 -4.700 -11.177 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.026 -3.706 -10.265 1.00 0.00 H new ATOM 377 N VAL A 29 4.452 -4.220 -11.705 1.00 0.00 N ATOM 378 CA VAL A 29 5.501 -4.211 -10.699 1.00 0.00 C ATOM 379 C VAL A 29 5.454 -2.887 -9.933 1.00 0.00 C ATOM 380 O VAL A 29 5.316 -1.823 -10.533 1.00 0.00 O ATOM 381 CB VAL A 29 6.857 -4.475 -11.355 1.00 0.00 C ATOM 382 CG1 VAL A 29 7.403 -3.206 -12.014 1.00 0.00 C ATOM 383 CG2 VAL A 29 7.856 -5.038 -10.341 1.00 0.00 C ATOM 0 H VAL A 29 4.739 -3.881 -12.623 1.00 0.00 H new ATOM 0 HA VAL A 29 5.345 -5.011 -9.976 1.00 0.00 H new ATOM 0 HB VAL A 29 6.712 -5.223 -12.135 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.368 -3.421 -12.473 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.705 -2.864 -12.779 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.525 -2.428 -11.260 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.812 -5.217 -10.833 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.993 -4.323 -9.530 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.475 -5.976 -9.937 1.00 0.00 H new ATOM 393 N ALA A 30 5.571 -2.998 -8.617 1.00 0.00 N ATOM 394 CA ALA A 30 5.543 -1.824 -7.763 1.00 0.00 C ATOM 395 C ALA A 30 6.761 -0.948 -8.066 1.00 0.00 C ATOM 396 O ALA A 30 7.898 -1.402 -7.957 1.00 0.00 O ATOM 397 CB ALA A 30 5.490 -2.260 -6.297 1.00 0.00 C ATOM 0 H ALA A 30 5.685 -3.883 -8.123 1.00 0.00 H new ATOM 0 HA ALA A 30 4.651 -1.229 -7.959 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.469 -1.379 -5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.592 -2.854 -6.126 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.371 -2.858 -6.063 1.00 0.00 H new ATOM 403 N LEU A 31 6.480 0.291 -8.441 1.00 0.00 N ATOM 404 CA LEU A 31 7.538 1.234 -8.762 1.00 0.00 C ATOM 405 C LEU A 31 8.181 1.731 -7.466 1.00 0.00 C ATOM 406 O LEU A 31 9.390 1.956 -7.416 1.00 0.00 O ATOM 407 CB LEU A 31 7.003 2.357 -9.653 1.00 0.00 C ATOM 408 CG LEU A 31 6.641 1.962 -11.086 1.00 0.00 C ATOM 409 CD1 LEU A 31 6.338 3.197 -11.935 1.00 0.00 C ATOM 410 CD2 LEU A 31 7.737 1.093 -11.708 1.00 0.00 C ATOM 0 H LEU A 31 5.535 0.664 -8.530 1.00 0.00 H new ATOM 0 HA LEU A 31 8.322 0.745 -9.341 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.117 2.779 -9.179 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.751 3.149 -9.694 1.00 0.00 H new ATOM 0 HG LEU A 31 5.732 1.362 -11.056 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.084 2.888 -12.949 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.499 3.741 -11.500 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.215 3.844 -11.962 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.455 0.826 -12.727 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.675 1.647 -11.725 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.862 0.186 -11.116 1.00 0.00 H new ATOM 422 N TYR A 32 7.346 1.887 -6.449 1.00 0.00 N ATOM 423 CA TYR A 32 7.818 2.354 -5.157 1.00 0.00 C ATOM 424 C TYR A 32 7.176 1.558 -4.019 1.00 0.00 C ATOM 425 O TYR A 32 6.118 0.958 -4.197 1.00 0.00 O ATOM 426 CB TYR A 32 7.383 3.816 -5.051 1.00 0.00 C ATOM 427 CG TYR A 32 7.461 4.586 -6.371 1.00 0.00 C ATOM 428 CD1 TYR A 32 8.647 5.177 -6.756 1.00 0.00 C ATOM 429 CD2 TYR A 32 6.345 4.689 -7.176 1.00 0.00 C ATOM 430 CE1 TYR A 32 8.720 5.902 -7.998 1.00 0.00 C ATOM 431 CE2 TYR A 32 6.419 5.414 -8.419 1.00 0.00 C ATOM 432 CZ TYR A 32 7.602 5.985 -8.768 1.00 0.00 C ATOM 433 OH TYR A 32 7.672 6.669 -9.941 1.00 0.00 O ATOM 0 H TYR A 32 6.345 1.698 -6.494 1.00 0.00 H new ATOM 0 HA TYR A 32 8.898 2.234 -5.077 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.359 3.854 -4.680 1.00 0.00 H new ATOM 0 HB3 TYR A 32 8.008 4.318 -4.312 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.520 5.096 -6.126 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.417 4.227 -6.875 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.642 6.369 -8.311 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.554 5.502 -9.059 1.00 0.00 H new ATOM 0 HH TYR A 32 6.799 6.645 -10.386 1.00 0.00 H new ATOM 443 N ASP A 33 7.843 1.581 -2.874 1.00 0.00 N ATOM 444 CA ASP A 33 7.351 0.869 -1.707 1.00 0.00 C ATOM 445 C ASP A 33 6.030 1.495 -1.254 1.00 0.00 C ATOM 446 O ASP A 33 5.906 2.717 -1.191 1.00 0.00 O ATOM 447 CB ASP A 33 8.342 0.964 -0.544 1.00 0.00 C ATOM 448 CG ASP A 33 9.815 1.005 -0.954 1.00 0.00 C ATOM 449 OD1 ASP A 33 10.310 -0.052 -1.402 1.00 0.00 O ATOM 450 OD2 ASP A 33 10.415 2.092 -0.810 1.00 0.00 O ATOM 0 H ASP A 33 8.720 2.082 -2.730 1.00 0.00 H new ATOM 0 HA ASP A 33 7.217 -0.177 -1.982 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.116 1.860 0.034 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.187 0.111 0.116 1.00 0.00 H new ATOM 455 N TYR A 34 5.075 0.628 -0.949 1.00 0.00 N ATOM 456 CA TYR A 34 3.768 1.080 -0.503 1.00 0.00 C ATOM 457 C TYR A 34 3.308 0.297 0.728 1.00 0.00 C ATOM 458 O TYR A 34 3.364 -0.931 0.744 1.00 0.00 O ATOM 459 CB TYR A 34 2.807 0.799 -1.660 1.00 0.00 C ATOM 460 CG TYR A 34 1.401 1.363 -1.452 1.00 0.00 C ATOM 461 CD1 TYR A 34 1.160 2.708 -1.642 1.00 0.00 C ATOM 462 CD2 TYR A 34 0.371 0.525 -1.072 1.00 0.00 C ATOM 463 CE1 TYR A 34 -0.164 3.238 -1.446 1.00 0.00 C ATOM 464 CE2 TYR A 34 -0.953 1.054 -0.876 1.00 0.00 C ATOM 465 CZ TYR A 34 -1.155 2.385 -1.072 1.00 0.00 C ATOM 466 OH TYR A 34 -2.407 2.886 -0.887 1.00 0.00 O ATOM 0 H TYR A 34 5.181 -0.385 -1.002 1.00 0.00 H new ATOM 0 HA TYR A 34 3.799 2.135 -0.232 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.224 1.219 -2.575 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.737 -0.279 -1.807 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.965 3.364 -1.938 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.559 -0.528 -0.922 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.366 4.289 -1.593 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.767 0.409 -0.580 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.057 2.324 -1.358 1.00 0.00 H new ATOM 476 N GLU A 35 2.862 1.041 1.730 1.00 0.00 N ATOM 477 CA GLU A 35 2.392 0.432 2.963 1.00 0.00 C ATOM 478 C GLU A 35 0.937 0.824 3.227 1.00 0.00 C ATOM 479 O GLU A 35 0.623 1.391 4.273 1.00 0.00 O ATOM 480 CB GLU A 35 3.287 0.819 4.142 1.00 0.00 C ATOM 481 CG GLU A 35 3.967 -0.413 4.741 1.00 0.00 C ATOM 482 CD GLU A 35 4.025 -0.320 6.268 1.00 0.00 C ATOM 483 OE1 GLU A 35 2.939 -0.165 6.868 1.00 0.00 O ATOM 484 OE2 GLU A 35 5.153 -0.404 6.799 1.00 0.00 O ATOM 0 H GLU A 35 2.816 2.060 1.713 1.00 0.00 H new ATOM 0 HA GLU A 35 2.442 -0.651 2.852 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.043 1.531 3.811 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.692 1.318 4.907 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.423 -1.311 4.448 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.976 -0.507 4.340 1.00 0.00 H new ATOM 491 N ALA A 36 0.087 0.508 2.261 1.00 0.00 N ATOM 492 CA ALA A 36 -1.327 0.820 2.376 1.00 0.00 C ATOM 493 C ALA A 36 -1.492 2.171 3.073 1.00 0.00 C ATOM 494 O ALA A 36 -1.623 2.233 4.295 1.00 0.00 O ATOM 495 CB ALA A 36 -2.041 -0.311 3.121 1.00 0.00 C ATOM 0 H ALA A 36 0.351 0.039 1.395 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.783 0.900 1.389 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.102 -0.077 3.207 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.919 -1.244 2.570 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.611 -0.419 4.117 1.00 0.00 H new ATOM 569 N ASP A 41 -6.884 -0.656 0.748 1.00 0.00 N ATOM 570 CA ASP A 41 -5.784 -0.763 -0.196 1.00 0.00 C ATOM 571 C ASP A 41 -4.858 -1.903 0.234 1.00 0.00 C ATOM 572 O ASP A 41 -4.946 -2.387 1.361 1.00 0.00 O ATOM 573 CB ASP A 41 -4.961 0.527 -0.230 1.00 0.00 C ATOM 574 CG ASP A 41 -5.374 1.529 -1.309 1.00 0.00 C ATOM 575 OD1 ASP A 41 -6.585 1.831 -1.370 1.00 0.00 O ATOM 576 OD2 ASP A 41 -4.468 1.970 -2.050 1.00 0.00 O ATOM 0 HA ASP A 41 -6.204 -0.950 -1.184 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.035 1.013 0.743 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.913 0.268 -0.378 1.00 0.00 H new ATOM 581 N LEU A 42 -3.994 -2.300 -0.689 1.00 0.00 N ATOM 582 CA LEU A 42 -3.053 -3.374 -0.420 1.00 0.00 C ATOM 583 C LEU A 42 -1.648 -2.790 -0.270 1.00 0.00 C ATOM 584 O LEU A 42 -1.332 -1.761 -0.866 1.00 0.00 O ATOM 585 CB LEU A 42 -3.157 -4.459 -1.495 1.00 0.00 C ATOM 586 CG LEU A 42 -2.503 -5.800 -1.159 1.00 0.00 C ATOM 587 CD1 LEU A 42 -3.397 -6.630 -0.236 1.00 0.00 C ATOM 588 CD2 LEU A 42 -2.130 -6.561 -2.433 1.00 0.00 C ATOM 0 H LEU A 42 -3.926 -1.897 -1.624 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.296 -3.866 0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.212 -4.634 -1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.708 -4.078 -2.412 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.577 -5.604 -0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.908 -7.578 -0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.570 -6.084 0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.351 -6.820 -0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.667 -7.511 -2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.028 -6.748 -3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.429 -5.967 -3.019 1.00 0.00 H new ATOM 600 N SER A 43 -0.840 -3.471 0.531 1.00 0.00 N ATOM 601 CA SER A 43 0.524 -3.032 0.767 1.00 0.00 C ATOM 602 C SER A 43 1.497 -3.886 -0.050 1.00 0.00 C ATOM 603 O SER A 43 1.281 -5.084 -0.225 1.00 0.00 O ATOM 604 CB SER A 43 0.876 -3.103 2.254 1.00 0.00 C ATOM 605 OG SER A 43 1.198 -4.430 2.664 1.00 0.00 O ATOM 0 H SER A 43 -1.105 -4.324 1.024 1.00 0.00 H new ATOM 0 HA SER A 43 0.608 -1.992 0.451 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.721 -2.445 2.458 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.036 -2.735 2.843 1.00 0.00 H new ATOM 0 HG SER A 43 1.419 -4.433 3.619 1.00 0.00 H new ATOM 611 N PHE A 44 2.547 -3.235 -0.528 1.00 0.00 N ATOM 612 CA PHE A 44 3.554 -3.918 -1.322 1.00 0.00 C ATOM 613 C PHE A 44 4.891 -3.176 -1.270 1.00 0.00 C ATOM 614 O PHE A 44 4.992 -2.114 -0.658 1.00 0.00 O ATOM 615 CB PHE A 44 3.049 -3.935 -2.766 1.00 0.00 C ATOM 616 CG PHE A 44 2.562 -2.575 -3.271 1.00 0.00 C ATOM 617 CD1 PHE A 44 3.453 -1.675 -3.768 1.00 0.00 C ATOM 618 CD2 PHE A 44 1.238 -2.266 -3.222 1.00 0.00 C ATOM 619 CE1 PHE A 44 3.002 -0.413 -4.236 1.00 0.00 C ATOM 620 CE2 PHE A 44 0.787 -1.004 -3.691 1.00 0.00 C ATOM 621 CZ PHE A 44 1.678 -0.104 -4.188 1.00 0.00 C ATOM 0 H PHE A 44 2.722 -2.241 -0.381 1.00 0.00 H new ATOM 0 HA PHE A 44 3.713 -4.924 -0.935 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.850 -4.287 -3.416 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.234 -4.654 -2.847 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.504 -1.921 -3.806 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.531 -2.980 -2.827 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.710 0.301 -4.630 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.264 -0.758 -3.653 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.334 0.856 -4.544 1.00 0.00 H new ATOM 631 N GLN A 45 5.884 -3.764 -1.921 1.00 0.00 N ATOM 632 CA GLN A 45 7.209 -3.172 -1.956 1.00 0.00 C ATOM 633 C GLN A 45 7.639 -2.918 -3.404 1.00 0.00 C ATOM 634 O GLN A 45 7.097 -3.518 -4.330 1.00 0.00 O ATOM 635 CB GLN A 45 8.225 -4.056 -1.230 1.00 0.00 C ATOM 636 CG GLN A 45 7.963 -4.067 0.277 1.00 0.00 C ATOM 637 CD GLN A 45 8.687 -5.236 0.950 1.00 0.00 C ATOM 638 OE1 GLN A 45 9.903 -5.301 1.000 1.00 0.00 O ATOM 639 NE2 GLN A 45 7.871 -6.153 1.463 1.00 0.00 N ATOM 0 H GLN A 45 5.797 -4.645 -2.428 1.00 0.00 H new ATOM 0 HA GLN A 45 7.172 -2.215 -1.435 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.172 -5.073 -1.620 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.234 -3.692 -1.425 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.297 -3.127 0.715 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.892 -4.142 0.463 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.861 -6.037 1.386 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.256 -6.972 1.933 1.00 0.00 H new ATOM 648 N LYS A 46 8.610 -2.029 -3.552 1.00 0.00 N ATOM 649 CA LYS A 46 9.118 -1.688 -4.870 1.00 0.00 C ATOM 650 C LYS A 46 9.698 -2.943 -5.527 1.00 0.00 C ATOM 651 O LYS A 46 10.750 -3.432 -5.118 1.00 0.00 O ATOM 652 CB LYS A 46 10.110 -0.527 -4.779 1.00 0.00 C ATOM 653 CG LYS A 46 11.090 -0.549 -5.952 1.00 0.00 C ATOM 654 CD LYS A 46 11.697 0.835 -6.187 1.00 0.00 C ATOM 655 CE LYS A 46 11.995 1.059 -7.671 1.00 0.00 C ATOM 656 NZ LYS A 46 13.451 0.978 -7.925 1.00 0.00 N ATOM 0 H LYS A 46 9.059 -1.534 -2.781 1.00 0.00 H new ATOM 0 HA LYS A 46 8.310 -1.335 -5.511 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.568 0.419 -4.771 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.660 -0.587 -3.840 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.884 -1.269 -5.753 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.576 -0.882 -6.854 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.010 1.602 -5.831 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.615 0.936 -5.609 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.473 0.312 -8.270 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.620 2.034 -7.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.636 1.132 -8.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.942 1.707 -7.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.800 0.038 -7.649 1.00 0.00 H new ATOM 670 N GLY A 47 8.988 -3.427 -6.534 1.00 0.00 N ATOM 671 CA GLY A 47 9.419 -4.614 -7.252 1.00 0.00 C ATOM 672 C GLY A 47 8.428 -5.763 -7.058 1.00 0.00 C ATOM 673 O GLY A 47 8.603 -6.842 -7.621 1.00 0.00 O ATOM 0 H GLY A 47 8.116 -3.018 -6.870 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.514 -4.386 -8.314 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.406 -4.917 -6.901 1.00 0.00 H new ATOM 677 N ASP A 48 7.406 -5.491 -6.258 1.00 0.00 N ATOM 678 CA ASP A 48 6.386 -6.489 -5.983 1.00 0.00 C ATOM 679 C ASP A 48 5.428 -6.574 -7.173 1.00 0.00 C ATOM 680 O ASP A 48 4.986 -5.551 -7.695 1.00 0.00 O ATOM 681 CB ASP A 48 5.569 -6.114 -4.745 1.00 0.00 C ATOM 682 CG ASP A 48 4.997 -7.299 -3.964 1.00 0.00 C ATOM 683 OD1 ASP A 48 4.813 -8.361 -4.599 1.00 0.00 O ATOM 684 OD2 ASP A 48 4.757 -7.118 -2.752 1.00 0.00 O ATOM 0 H ASP A 48 7.263 -4.595 -5.792 1.00 0.00 H new ATOM 0 HA ASP A 48 6.885 -7.443 -5.811 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.199 -5.528 -4.076 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.745 -5.470 -5.053 1.00 0.00 H new ATOM 689 N GLN A 49 5.133 -7.804 -7.569 1.00 0.00 N ATOM 690 CA GLN A 49 4.235 -8.036 -8.688 1.00 0.00 C ATOM 691 C GLN A 49 2.844 -8.420 -8.180 1.00 0.00 C ATOM 692 O GLN A 49 2.706 -9.322 -7.355 1.00 0.00 O ATOM 693 CB GLN A 49 4.792 -9.109 -9.624 1.00 0.00 C ATOM 694 CG GLN A 49 6.148 -8.689 -10.194 1.00 0.00 C ATOM 695 CD GLN A 49 6.118 -8.670 -11.724 1.00 0.00 C ATOM 696 OE1 GLN A 49 6.686 -9.517 -12.393 1.00 0.00 O ATOM 697 NE2 GLN A 49 5.425 -7.657 -12.238 1.00 0.00 N ATOM 0 H GLN A 49 5.500 -8.651 -7.135 1.00 0.00 H new ATOM 0 HA GLN A 49 4.150 -7.111 -9.259 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.896 -10.050 -9.083 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.090 -9.286 -10.439 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.413 -7.700 -9.820 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.920 -9.378 -9.850 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.974 -6.982 -11.620 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.345 -7.555 -13.250 1.00 0.00 H new ATOM 706 N MET A 50 1.846 -7.715 -8.694 1.00 0.00 N ATOM 707 CA MET A 50 0.470 -7.971 -8.304 1.00 0.00 C ATOM 708 C MET A 50 -0.392 -8.307 -9.523 1.00 0.00 C ATOM 709 O MET A 50 -0.107 -7.858 -10.633 1.00 0.00 O ATOM 710 CB MET A 50 -0.099 -6.737 -7.601 1.00 0.00 C ATOM 711 CG MET A 50 0.767 -6.341 -6.404 1.00 0.00 C ATOM 712 SD MET A 50 0.353 -4.687 -5.872 1.00 0.00 S ATOM 713 CE MET A 50 1.794 -3.806 -6.452 1.00 0.00 C ATOM 0 H MET A 50 1.963 -6.967 -9.377 1.00 0.00 H new ATOM 0 HA MET A 50 0.457 -8.825 -7.627 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.155 -5.906 -8.305 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.116 -6.941 -7.267 1.00 0.00 H new ATOM 0 HG2 MET A 50 0.614 -7.044 -5.585 1.00 0.00 H new ATOM 0 HG3 MET A 50 1.822 -6.392 -6.675 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.700 -2.750 -6.201 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.686 -4.214 -5.976 1.00 0.00 H new ATOM 0 HE3 MET A 50 1.877 -3.916 -7.533 1.00 0.00 H new ATOM 723 N VAL A 51 -1.428 -9.094 -9.276 1.00 0.00 N ATOM 724 CA VAL A 51 -2.334 -9.496 -10.339 1.00 0.00 C ATOM 725 C VAL A 51 -3.563 -8.585 -10.327 1.00 0.00 C ATOM 726 O VAL A 51 -4.521 -8.838 -9.600 1.00 0.00 O ATOM 727 CB VAL A 51 -2.687 -10.978 -10.193 1.00 0.00 C ATOM 728 CG1 VAL A 51 -3.810 -11.371 -11.156 1.00 0.00 C ATOM 729 CG2 VAL A 51 -1.453 -11.858 -10.401 1.00 0.00 C ATOM 0 H VAL A 51 -1.661 -9.465 -8.355 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.855 -9.384 -11.312 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.046 -11.139 -9.176 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.042 -12.429 -11.032 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.698 -10.777 -10.941 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.491 -11.187 -12.182 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.731 -12.906 -10.292 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.051 -11.691 -11.401 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.696 -11.604 -9.659 1.00 0.00 H new ATOM 739 N VAL A 52 -3.495 -7.543 -11.143 1.00 0.00 N ATOM 740 CA VAL A 52 -4.590 -6.592 -11.236 1.00 0.00 C ATOM 741 C VAL A 52 -5.855 -7.322 -11.693 1.00 0.00 C ATOM 742 O VAL A 52 -5.917 -7.821 -12.816 1.00 0.00 O ATOM 743 CB VAL A 52 -4.202 -5.435 -12.158 1.00 0.00 C ATOM 744 CG1 VAL A 52 -5.443 -4.719 -12.692 1.00 0.00 C ATOM 745 CG2 VAL A 52 -3.268 -4.455 -11.443 1.00 0.00 C ATOM 0 H VAL A 52 -2.699 -7.336 -11.746 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.800 -6.155 -10.260 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.664 -5.851 -13.010 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.138 -3.901 -13.345 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.056 -5.423 -13.255 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.021 -4.322 -11.858 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.007 -3.642 -12.120 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.770 -4.049 -10.565 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.361 -4.976 -11.135 1.00 0.00 H new ATOM 755 N LEU A 53 -6.833 -7.360 -10.800 1.00 0.00 N ATOM 756 CA LEU A 53 -8.093 -8.020 -11.097 1.00 0.00 C ATOM 757 C LEU A 53 -9.105 -6.981 -11.583 1.00 0.00 C ATOM 758 O LEU A 53 -9.696 -7.135 -12.650 1.00 0.00 O ATOM 759 CB LEU A 53 -8.572 -8.829 -9.891 1.00 0.00 C ATOM 760 CG LEU A 53 -7.498 -9.627 -9.150 1.00 0.00 C ATOM 761 CD1 LEU A 53 -7.996 -10.068 -7.771 1.00 0.00 C ATOM 762 CD2 LEU A 53 -7.017 -10.811 -9.990 1.00 0.00 C ATOM 0 H LEU A 53 -6.778 -6.944 -9.870 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.964 -8.742 -11.904 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.042 -8.146 -9.184 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.344 -9.521 -10.226 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.639 -8.976 -8.990 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.213 -10.633 -7.265 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.250 -9.190 -7.178 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.880 -10.695 -7.887 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.254 -11.361 -9.440 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.858 -11.471 -10.203 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.596 -10.445 -10.927 1.00 0.00 H new ATOM 774 N GLU A 54 -9.276 -5.945 -10.775 1.00 0.00 N ATOM 775 CA GLU A 54 -10.207 -4.880 -11.109 1.00 0.00 C ATOM 776 C GLU A 54 -9.465 -3.549 -11.243 1.00 0.00 C ATOM 777 O GLU A 54 -8.564 -3.254 -10.459 1.00 0.00 O ATOM 778 CB GLU A 54 -11.324 -4.783 -10.068 1.00 0.00 C ATOM 779 CG GLU A 54 -12.524 -5.641 -10.471 1.00 0.00 C ATOM 780 CD GLU A 54 -12.998 -5.293 -11.883 1.00 0.00 C ATOM 781 OE1 GLU A 54 -13.748 -4.301 -12.002 1.00 0.00 O ATOM 782 OE2 GLU A 54 -12.598 -6.028 -12.812 1.00 0.00 O ATOM 0 H GLU A 54 -8.785 -5.820 -9.889 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.668 -5.114 -12.068 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.950 -5.107 -9.097 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.635 -3.744 -9.959 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.253 -6.696 -10.424 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.338 -5.489 -9.763 1.00 0.00 H new ATOM 822 N GLU A 58 -7.848 4.763 -11.121 1.00 0.00 N ATOM 823 CA GLU A 58 -6.416 4.762 -10.871 1.00 0.00 C ATOM 824 C GLU A 58 -6.021 3.532 -10.051 1.00 0.00 C ATOM 825 O GLU A 58 -5.246 2.697 -10.513 1.00 0.00 O ATOM 826 CB GLU A 58 -5.980 6.050 -10.172 1.00 0.00 C ATOM 827 CG GLU A 58 -6.568 7.278 -10.870 1.00 0.00 C ATOM 828 CD GLU A 58 -5.700 7.703 -12.055 1.00 0.00 C ATOM 829 OE1 GLU A 58 -5.008 6.815 -12.600 1.00 0.00 O ATOM 830 OE2 GLU A 58 -5.746 8.907 -12.391 1.00 0.00 O ATOM 0 HA GLU A 58 -5.900 4.716 -11.830 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.302 6.030 -9.131 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.892 6.116 -10.168 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.578 7.056 -11.215 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.648 8.101 -10.160 1.00 0.00 H new ATOM 837 N TRP A 59 -6.572 3.460 -8.849 1.00 0.00 N ATOM 838 CA TRP A 59 -6.287 2.346 -7.960 1.00 0.00 C ATOM 839 C TRP A 59 -6.974 1.102 -8.525 1.00 0.00 C ATOM 840 O TRP A 59 -8.141 1.154 -8.911 1.00 0.00 O ATOM 841 CB TRP A 59 -6.714 2.665 -6.526 1.00 0.00 C ATOM 842 CG TRP A 59 -6.260 4.041 -6.033 1.00 0.00 C ATOM 843 CD1 TRP A 59 -6.773 5.240 -6.341 1.00 0.00 C ATOM 844 CD2 TRP A 59 -5.172 4.311 -5.124 1.00 0.00 C ATOM 845 NE1 TRP A 59 -6.098 6.259 -5.701 1.00 0.00 N ATOM 846 CE2 TRP A 59 -5.093 5.676 -4.937 1.00 0.00 C ATOM 847 CE3 TRP A 59 -4.282 3.432 -4.482 1.00 0.00 C ATOM 848 CZ2 TRP A 59 -4.141 6.284 -4.110 1.00 0.00 C ATOM 849 CZ3 TRP A 59 -3.337 4.054 -3.659 1.00 0.00 C ATOM 850 CH2 TRP A 59 -3.244 5.426 -3.460 1.00 0.00 C ATOM 0 H TRP A 59 -7.215 4.155 -8.469 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.214 2.159 -7.909 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.800 2.607 -6.460 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.313 1.901 -5.860 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -7.610 5.390 -7.007 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.299 7.256 -5.775 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.325 2.361 -4.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.100 7.355 -3.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -2.630 3.423 -3.142 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.484 5.829 -2.807 1.00 0.00 H new ATOM 861 N TRP A 60 -6.222 0.012 -8.558 1.00 0.00 N ATOM 862 CA TRP A 60 -6.744 -1.244 -9.069 1.00 0.00 C ATOM 863 C TRP A 60 -6.633 -2.290 -7.958 1.00 0.00 C ATOM 864 O TRP A 60 -5.780 -2.180 -7.079 1.00 0.00 O ATOM 865 CB TRP A 60 -6.019 -1.656 -10.352 1.00 0.00 C ATOM 866 CG TRP A 60 -5.781 -0.504 -11.330 1.00 0.00 C ATOM 867 CD1 TRP A 60 -6.561 0.563 -11.553 1.00 0.00 C ATOM 868 CD2 TRP A 60 -4.652 -0.346 -12.215 1.00 0.00 C ATOM 869 NE1 TRP A 60 -6.018 1.394 -12.513 1.00 0.00 N ATOM 870 CE2 TRP A 60 -4.821 0.823 -12.928 1.00 0.00 C ATOM 871 CE3 TRP A 60 -3.525 -1.164 -12.406 1.00 0.00 C ATOM 872 CZ2 TRP A 60 -3.902 1.280 -13.880 1.00 0.00 C ATOM 873 CZ3 TRP A 60 -2.616 -0.694 -13.361 1.00 0.00 C ATOM 874 CH2 TRP A 60 -2.771 0.481 -14.088 1.00 0.00 C ATOM 0 H TRP A 60 -5.254 -0.027 -8.239 1.00 0.00 H new ATOM 0 HA TRP A 60 -7.793 -1.141 -9.346 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -5.059 -2.099 -10.088 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.600 -2.430 -10.853 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -7.496 0.749 -11.046 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.421 2.266 -12.855 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.372 -2.083 -11.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -4.057 2.200 -14.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.732 -1.286 -13.546 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -2.023 0.776 -14.809 1.00 0.00 H new ATOM 885 N LYS A 61 -7.510 -3.280 -8.033 1.00 0.00 N ATOM 886 CA LYS A 61 -7.522 -4.345 -7.044 1.00 0.00 C ATOM 887 C LYS A 61 -6.698 -5.525 -7.562 1.00 0.00 C ATOM 888 O LYS A 61 -7.190 -6.333 -8.349 1.00 0.00 O ATOM 889 CB LYS A 61 -8.960 -4.714 -6.673 1.00 0.00 C ATOM 890 CG LYS A 61 -8.986 -5.831 -5.628 1.00 0.00 C ATOM 891 CD LYS A 61 -9.992 -6.919 -6.012 1.00 0.00 C ATOM 892 CE LYS A 61 -10.727 -7.446 -4.778 1.00 0.00 C ATOM 893 NZ LYS A 61 -12.077 -7.928 -5.147 1.00 0.00 N ATOM 0 H LYS A 61 -8.217 -3.367 -8.763 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.054 -4.011 -6.118 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.476 -3.836 -6.285 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.499 -5.033 -7.565 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.992 -6.268 -5.532 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.247 -5.417 -4.654 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.712 -6.518 -6.725 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.474 -7.739 -6.509 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.156 -8.257 -4.325 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.808 -6.657 -4.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.563 -8.282 -4.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.625 -7.145 -5.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.993 -8.695 -5.844 1.00 0.00 H new ATOM 907 N ALA A 62 -5.458 -5.588 -7.099 1.00 0.00 N ATOM 908 CA ALA A 62 -4.561 -6.656 -7.507 1.00 0.00 C ATOM 909 C ALA A 62 -4.191 -7.498 -6.284 1.00 0.00 C ATOM 910 O ALA A 62 -4.310 -7.038 -5.150 1.00 0.00 O ATOM 911 CB ALA A 62 -3.333 -6.057 -8.196 1.00 0.00 C ATOM 0 H ALA A 62 -5.054 -4.917 -6.446 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.049 -7.314 -8.226 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.660 -6.858 -8.502 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.648 -5.492 -9.074 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.815 -5.393 -7.504 1.00 0.00 H new ATOM 917 N ARG A 63 -3.748 -8.717 -6.557 1.00 0.00 N ATOM 918 CA ARG A 63 -3.360 -9.627 -5.494 1.00 0.00 C ATOM 919 C ARG A 63 -1.840 -9.803 -5.474 1.00 0.00 C ATOM 920 O ARG A 63 -1.238 -10.145 -6.492 1.00 0.00 O ATOM 921 CB ARG A 63 -4.022 -10.995 -5.669 1.00 0.00 C ATOM 922 CG ARG A 63 -3.213 -12.091 -4.973 1.00 0.00 C ATOM 923 CD ARG A 63 -2.413 -12.911 -5.987 1.00 0.00 C ATOM 924 NE ARG A 63 -3.329 -13.737 -6.805 1.00 0.00 N ATOM 925 CZ ARG A 63 -2.956 -14.840 -7.468 1.00 0.00 C ATOM 926 NH1 ARG A 63 -1.683 -15.257 -7.412 1.00 0.00 N ATOM 927 NH2 ARG A 63 -3.855 -15.527 -8.185 1.00 0.00 N ATOM 0 H ARG A 63 -3.649 -9.095 -7.499 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.692 -9.194 -4.550 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.032 -10.969 -5.260 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.114 -11.225 -6.730 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.535 -11.642 -4.247 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.884 -12.747 -4.419 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.836 -12.247 -6.631 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.699 -13.550 -5.468 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.305 -13.449 -6.868 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.999 -14.735 -6.865 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.399 -16.097 -7.917 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.824 -15.210 -8.226 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.571 -16.367 -8.690 1.00 0.00 H new ATOM 941 N SER A 64 -1.263 -9.563 -4.306 1.00 0.00 N ATOM 942 CA SER A 64 0.174 -9.690 -4.141 1.00 0.00 C ATOM 943 C SER A 64 0.618 -11.113 -4.491 1.00 0.00 C ATOM 944 O SER A 64 0.030 -12.083 -4.015 1.00 0.00 O ATOM 945 CB SER A 64 0.599 -9.337 -2.714 1.00 0.00 C ATOM 946 OG SER A 64 1.650 -8.375 -2.692 1.00 0.00 O ATOM 0 H SER A 64 -1.765 -9.281 -3.464 1.00 0.00 H new ATOM 0 HA SER A 64 0.659 -8.988 -4.819 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.259 -8.949 -2.166 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.924 -10.241 -2.199 1.00 0.00 H new ATOM 0 HG SER A 64 1.891 -8.175 -1.763 1.00 0.00 H new ATOM 952 N LEU A 65 1.650 -11.191 -5.316 1.00 0.00 N ATOM 953 CA LEU A 65 2.178 -12.479 -5.734 1.00 0.00 C ATOM 954 C LEU A 65 3.218 -12.953 -4.718 1.00 0.00 C ATOM 955 O LEU A 65 4.019 -13.839 -5.011 1.00 0.00 O ATOM 956 CB LEU A 65 2.710 -12.400 -7.167 1.00 0.00 C ATOM 957 CG LEU A 65 1.670 -12.557 -8.278 1.00 0.00 C ATOM 958 CD1 LEU A 65 2.261 -12.185 -9.639 1.00 0.00 C ATOM 959 CD2 LEU A 65 1.073 -13.966 -8.277 1.00 0.00 C ATOM 0 H LEU A 65 2.136 -10.384 -5.707 1.00 0.00 H new ATOM 0 HA LEU A 65 1.386 -13.228 -5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.208 -11.439 -7.296 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.469 -13.172 -7.295 1.00 0.00 H new ATOM 0 HG LEU A 65 0.853 -11.862 -8.081 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.501 -12.305 -10.411 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.597 -11.148 -9.619 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.107 -12.836 -9.858 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.337 -14.050 -9.077 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.866 -14.697 -8.435 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.591 -14.156 -7.318 1.00 0.00 H new ATOM 971 N ALA A 66 3.172 -12.342 -3.543 1.00 0.00 N ATOM 972 CA ALA A 66 4.100 -12.690 -2.481 1.00 0.00 C ATOM 973 C ALA A 66 3.319 -13.238 -1.285 1.00 0.00 C ATOM 974 O ALA A 66 3.789 -14.138 -0.592 1.00 0.00 O ATOM 975 CB ALA A 66 4.942 -11.465 -2.116 1.00 0.00 C ATOM 0 H ALA A 66 2.506 -11.608 -3.303 1.00 0.00 H new ATOM 0 HA ALA A 66 4.786 -13.470 -2.812 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.638 -11.726 -1.319 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.500 -11.133 -2.991 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.288 -10.662 -1.777 1.00 0.00 H new ATOM 981 N THR A 67 2.138 -12.672 -1.081 1.00 0.00 N ATOM 982 CA THR A 67 1.286 -13.093 0.017 1.00 0.00 C ATOM 983 C THR A 67 -0.118 -13.425 -0.492 1.00 0.00 C ATOM 984 O THR A 67 -1.046 -13.587 0.298 1.00 0.00 O ATOM 985 CB THR A 67 1.303 -11.990 1.077 1.00 0.00 C ATOM 986 OG1 THR A 67 1.066 -10.795 0.339 1.00 0.00 O ATOM 987 CG2 THR A 67 2.691 -11.783 1.686 1.00 0.00 C ATOM 0 H THR A 67 1.752 -11.925 -1.658 1.00 0.00 H new ATOM 0 HA THR A 67 1.656 -14.011 0.475 1.00 0.00 H new ATOM 0 HB THR A 67 0.594 -12.236 1.867 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.633 -10.076 0.689 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.646 -10.989 2.432 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.022 -12.707 2.159 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.395 -11.505 0.902 1.00 0.00 H new ATOM 995 N ARG A 68 -0.228 -13.515 -1.809 1.00 0.00 N ATOM 996 CA ARG A 68 -1.503 -13.824 -2.434 1.00 0.00 C ATOM 997 C ARG A 68 -2.616 -12.975 -1.817 1.00 0.00 C ATOM 998 O ARG A 68 -3.782 -13.365 -1.834 1.00 0.00 O ATOM 999 CB ARG A 68 -1.852 -15.305 -2.271 1.00 0.00 C ATOM 1000 CG ARG A 68 -2.125 -15.645 -0.804 1.00 0.00 C ATOM 1001 CD ARG A 68 -2.860 -16.982 -0.679 1.00 0.00 C ATOM 1002 NE ARG A 68 -1.886 -18.078 -0.479 1.00 0.00 N ATOM 1003 CZ ARG A 68 -1.246 -18.313 0.675 1.00 0.00 C ATOM 1004 NH1 ARG A 68 -1.474 -17.530 1.739 1.00 0.00 N ATOM 1005 NH2 ARG A 68 -0.380 -19.330 0.766 1.00 0.00 N ATOM 0 H ARG A 68 0.545 -13.379 -2.461 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.415 -13.598 -3.497 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.729 -15.544 -2.873 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.032 -15.919 -2.644 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.184 -15.691 -0.256 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.721 -14.854 -0.348 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.557 -16.946 0.158 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.450 -17.168 -1.577 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.689 -18.693 -1.269 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.134 -16.756 1.670 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.987 -17.709 2.617 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.207 -19.926 -0.043 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.107 -19.508 1.644 1.00 0.00 H new ATOM 1019 N LYS A 69 -2.217 -11.828 -1.287 1.00 0.00 N ATOM 1020 CA LYS A 69 -3.166 -10.919 -0.667 1.00 0.00 C ATOM 1021 C LYS A 69 -4.073 -10.321 -1.744 1.00 0.00 C ATOM 1022 O LYS A 69 -3.891 -10.588 -2.931 1.00 0.00 O ATOM 1023 CB LYS A 69 -2.433 -9.870 0.172 1.00 0.00 C ATOM 1024 CG LYS A 69 -2.131 -10.403 1.575 1.00 0.00 C ATOM 1025 CD LYS A 69 -1.004 -9.606 2.233 1.00 0.00 C ATOM 1026 CE LYS A 69 -0.418 -10.366 3.425 1.00 0.00 C ATOM 1027 NZ LYS A 69 -1.004 -9.875 4.691 1.00 0.00 N ATOM 0 H LYS A 69 -1.249 -11.507 -1.274 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.810 -11.457 0.028 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.503 -9.589 -0.322 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.041 -8.968 0.245 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.029 -10.346 2.191 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.851 -11.455 1.516 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.220 -9.408 1.503 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.383 -8.639 2.564 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.615 -11.433 3.316 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.665 -10.242 3.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.596 -10.401 5.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.795 -8.862 4.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.034 -10.016 4.674 1.00 0.00 H new ATOM 1041 N GLU A 70 -5.030 -9.524 -1.291 1.00 0.00 N ATOM 1042 CA GLU A 70 -5.966 -8.887 -2.202 1.00 0.00 C ATOM 1043 C GLU A 70 -6.406 -7.531 -1.647 1.00 0.00 C ATOM 1044 O GLU A 70 -6.865 -7.441 -0.509 1.00 0.00 O ATOM 1045 CB GLU A 70 -7.173 -9.789 -2.467 1.00 0.00 C ATOM 1046 CG GLU A 70 -6.871 -10.795 -3.580 1.00 0.00 C ATOM 1047 CD GLU A 70 -7.991 -11.832 -3.700 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -8.489 -12.254 -2.634 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -8.324 -12.177 -4.854 1.00 0.00 O ATOM 0 H GLU A 70 -5.177 -9.305 -0.306 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.462 -8.722 -3.154 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.442 -10.321 -1.554 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.033 -9.180 -2.746 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.754 -10.270 -4.528 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.926 -11.297 -3.375 1.00 0.00 H new ATOM 1056 N GLY A 71 -6.251 -6.509 -2.476 1.00 0.00 N ATOM 1057 CA GLY A 71 -6.626 -5.162 -2.083 1.00 0.00 C ATOM 1058 C GLY A 71 -6.312 -4.159 -3.195 1.00 0.00 C ATOM 1059 O GLY A 71 -5.597 -4.481 -4.142 1.00 0.00 O ATOM 0 H GLY A 71 -5.870 -6.587 -3.419 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.690 -5.130 -1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.092 -4.882 -1.175 1.00 0.00 H new ATOM 1063 N TYR A 72 -6.862 -2.963 -3.042 1.00 0.00 N ATOM 1064 CA TYR A 72 -6.650 -1.911 -4.020 1.00 0.00 C ATOM 1065 C TYR A 72 -5.236 -1.338 -3.912 1.00 0.00 C ATOM 1066 O TYR A 72 -4.728 -1.133 -2.810 1.00 0.00 O ATOM 1067 CB TYR A 72 -7.661 -0.812 -3.684 1.00 0.00 C ATOM 1068 CG TYR A 72 -9.111 -1.184 -3.997 1.00 0.00 C ATOM 1069 CD1 TYR A 72 -9.439 -1.707 -5.231 1.00 0.00 C ATOM 1070 CD2 TYR A 72 -10.092 -0.995 -3.044 1.00 0.00 C ATOM 1071 CE1 TYR A 72 -10.805 -2.056 -5.525 1.00 0.00 C ATOM 1072 CE2 TYR A 72 -11.457 -1.344 -3.339 1.00 0.00 C ATOM 1073 CZ TYR A 72 -11.747 -1.858 -4.564 1.00 0.00 C ATOM 1074 OH TYR A 72 -13.036 -2.188 -4.842 1.00 0.00 O ATOM 0 H TYR A 72 -7.454 -2.700 -2.255 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.774 -2.297 -5.032 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.580 -0.569 -2.625 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.400 0.089 -4.239 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.671 -1.855 -5.976 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -9.835 -0.586 -2.078 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -11.075 -2.466 -6.487 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.234 -1.201 -2.603 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.599 -1.994 -4.063 1.00 0.00 H new ATOM 1084 N ILE A 73 -4.640 -1.095 -5.070 1.00 0.00 N ATOM 1085 CA ILE A 73 -3.293 -0.550 -5.119 1.00 0.00 C ATOM 1086 C ILE A 73 -3.244 0.584 -6.145 1.00 0.00 C ATOM 1087 O ILE A 73 -4.026 0.601 -7.093 1.00 0.00 O ATOM 1088 CB ILE A 73 -2.275 -1.661 -5.380 1.00 0.00 C ATOM 1089 CG1 ILE A 73 -2.628 -2.442 -6.647 1.00 0.00 C ATOM 1090 CG2 ILE A 73 -2.137 -2.576 -4.161 1.00 0.00 C ATOM 1091 CD1 ILE A 73 -1.502 -2.352 -7.679 1.00 0.00 C ATOM 0 H ILE A 73 -5.065 -1.265 -5.982 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.020 -0.120 -4.155 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.302 -1.200 -5.548 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.812 -3.486 -6.395 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.550 -2.050 -7.075 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.407 -3.357 -4.373 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.804 -1.992 -3.303 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.102 -3.032 -3.937 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.779 -2.916 -8.570 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.337 -1.308 -7.947 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.587 -2.767 -7.256 1.00 0.00 H new ATOM 1103 N PRO A 74 -2.292 1.527 -5.914 1.00 0.00 N ATOM 1104 CA PRO A 74 -2.130 2.661 -6.807 1.00 0.00 C ATOM 1105 C PRO A 74 -1.447 2.241 -8.109 1.00 0.00 C ATOM 1106 O PRO A 74 -0.530 1.421 -8.097 1.00 0.00 O ATOM 1107 CB PRO A 74 -1.323 3.675 -6.013 1.00 0.00 C ATOM 1108 CG PRO A 74 -0.668 2.895 -4.886 1.00 0.00 C ATOM 1109 CD PRO A 74 -1.348 1.538 -4.800 1.00 0.00 C ATOM 0 HA PRO A 74 -3.082 3.088 -7.121 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.574 4.157 -6.642 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -1.965 4.464 -5.621 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.399 2.776 -5.074 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.767 3.432 -3.943 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.625 0.726 -4.885 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.859 1.411 -3.846 1.00 0.00 H new ATOM 1117 N SER A 75 -1.918 2.822 -9.203 1.00 0.00 N ATOM 1118 CA SER A 75 -1.364 2.517 -10.511 1.00 0.00 C ATOM 1119 C SER A 75 -0.135 3.390 -10.775 1.00 0.00 C ATOM 1120 O SER A 75 0.735 3.020 -11.561 1.00 0.00 O ATOM 1121 CB SER A 75 -2.407 2.722 -11.612 1.00 0.00 C ATOM 1122 OG SER A 75 -1.831 3.258 -12.800 1.00 0.00 O ATOM 0 H SER A 75 -2.678 3.503 -9.210 1.00 0.00 H new ATOM 0 HA SER A 75 -1.066 1.469 -10.521 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.886 1.770 -11.839 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.187 3.393 -11.252 1.00 0.00 H new ATOM 0 HG SER A 75 -2.147 2.749 -13.575 1.00 0.00 H new ATOM 1128 N ASN A 76 -0.105 4.531 -10.103 1.00 0.00 N ATOM 1129 CA ASN A 76 1.003 5.460 -10.255 1.00 0.00 C ATOM 1130 C ASN A 76 2.221 4.921 -9.502 1.00 0.00 C ATOM 1131 O ASN A 76 3.296 5.518 -9.544 1.00 0.00 O ATOM 1132 CB ASN A 76 0.655 6.831 -9.673 1.00 0.00 C ATOM 1133 CG ASN A 76 0.761 6.822 -8.147 1.00 0.00 C ATOM 1134 OD1 ASN A 76 0.710 5.787 -7.501 1.00 0.00 O ATOM 1135 ND2 ASN A 76 0.911 8.028 -7.608 1.00 0.00 N ATOM 0 H ASN A 76 -0.830 4.834 -9.452 1.00 0.00 H new ATOM 0 HA ASN A 76 1.214 5.563 -11.319 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.327 7.585 -10.083 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.356 7.110 -9.969 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.991 8.128 -6.596 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.946 8.853 -8.206 1.00 0.00 H new ATOM 1142 N TYR A 77 2.012 3.798 -8.830 1.00 0.00 N ATOM 1143 CA TYR A 77 3.080 3.173 -8.068 1.00 0.00 C ATOM 1144 C TYR A 77 3.425 1.795 -8.637 1.00 0.00 C ATOM 1145 O TYR A 77 4.152 1.025 -8.011 1.00 0.00 O ATOM 1146 CB TYR A 77 2.541 3.005 -6.646 1.00 0.00 C ATOM 1147 CG TYR A 77 3.172 3.955 -5.626 1.00 0.00 C ATOM 1148 CD1 TYR A 77 3.203 5.313 -5.874 1.00 0.00 C ATOM 1149 CD2 TYR A 77 3.709 3.455 -4.457 1.00 0.00 C ATOM 1150 CE1 TYR A 77 3.796 6.207 -4.914 1.00 0.00 C ATOM 1151 CE2 TYR A 77 4.302 4.349 -3.497 1.00 0.00 C ATOM 1152 CZ TYR A 77 4.316 5.681 -3.773 1.00 0.00 C ATOM 1153 OH TYR A 77 4.876 6.525 -2.865 1.00 0.00 O ATOM 0 H TYR A 77 1.120 3.305 -8.797 1.00 0.00 H new ATOM 0 HA TYR A 77 3.984 3.781 -8.103 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.463 3.163 -6.656 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.710 1.978 -6.323 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.782 5.705 -6.788 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.684 2.393 -4.262 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.827 7.271 -5.096 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.726 3.971 -2.579 1.00 0.00 H new ATOM 0 HH TYR A 77 4.589 7.443 -3.052 1.00 0.00 H new ATOM 1163 N VAL A 78 2.884 1.525 -9.816 1.00 0.00 N ATOM 1164 CA VAL A 78 3.125 0.253 -10.476 1.00 0.00 C ATOM 1165 C VAL A 78 3.445 0.501 -11.951 1.00 0.00 C ATOM 1166 O VAL A 78 3.282 1.616 -12.446 1.00 0.00 O ATOM 1167 CB VAL A 78 1.927 -0.677 -10.272 1.00 0.00 C ATOM 1168 CG1 VAL A 78 1.539 -0.755 -8.794 1.00 0.00 C ATOM 1169 CG2 VAL A 78 0.738 -0.237 -11.129 1.00 0.00 C ATOM 0 H VAL A 78 2.280 2.165 -10.331 1.00 0.00 H new ATOM 0 HA VAL A 78 3.987 -0.248 -10.037 1.00 0.00 H new ATOM 0 HB VAL A 78 2.220 -1.676 -10.595 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.685 -1.422 -8.677 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.381 -1.138 -8.217 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.274 0.239 -8.434 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.100 -0.915 -10.965 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.445 0.776 -10.852 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.021 -0.258 -12.182 1.00 0.00 H new ATOM 1179 N ALA A 79 3.893 -0.556 -12.613 1.00 0.00 N ATOM 1180 CA ALA A 79 4.237 -0.467 -14.021 1.00 0.00 C ATOM 1181 C ALA A 79 4.089 -1.846 -14.667 1.00 0.00 C ATOM 1182 O ALA A 79 4.893 -2.743 -14.418 1.00 0.00 O ATOM 1183 CB ALA A 79 5.653 0.095 -14.167 1.00 0.00 C ATOM 0 H ALA A 79 4.026 -1.479 -12.199 1.00 0.00 H new ATOM 0 HA ALA A 79 3.561 0.214 -14.538 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.911 0.162 -15.224 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.698 1.088 -13.719 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.360 -0.564 -13.662 1.00 0.00 H new ATOM 1189 N ARG A 80 3.053 -1.973 -15.483 1.00 0.00 N ATOM 1190 CA ARG A 80 2.788 -3.229 -16.166 1.00 0.00 C ATOM 1191 C ARG A 80 4.102 -3.903 -16.565 1.00 0.00 C ATOM 1192 O ARG A 80 5.022 -3.242 -17.044 1.00 0.00 O ATOM 1193 CB ARG A 80 1.936 -3.006 -17.417 1.00 0.00 C ATOM 1194 CG ARG A 80 0.461 -3.301 -17.136 1.00 0.00 C ATOM 1195 CD ARG A 80 -0.204 -3.968 -18.340 1.00 0.00 C ATOM 1196 NE ARG A 80 -1.279 -3.100 -18.871 1.00 0.00 N ATOM 1197 CZ ARG A 80 -1.987 -3.370 -19.977 1.00 0.00 C ATOM 1198 NH1 ARG A 80 -1.736 -4.486 -20.676 1.00 0.00 N ATOM 1199 NH2 ARG A 80 -2.943 -2.525 -20.383 1.00 0.00 N ATOM 0 H ARG A 80 2.387 -1.228 -15.687 1.00 0.00 H new ATOM 0 HA ARG A 80 2.240 -3.872 -15.477 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.046 -1.976 -17.757 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.292 -3.648 -18.223 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.376 -3.949 -16.264 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.060 -2.374 -16.896 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.537 -4.158 -19.116 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.616 -4.934 -18.049 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.495 -2.242 -18.363 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.007 -5.129 -20.366 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.274 -4.692 -21.518 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.133 -1.676 -19.851 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.482 -2.731 -21.224 1.00 0.00 H new ATOM 1213 N VAL A 81 4.147 -5.210 -16.354 1.00 0.00 N ATOM 1214 CA VAL A 81 5.333 -5.981 -16.686 1.00 0.00 C ATOM 1215 C VAL A 81 5.636 -5.825 -18.176 1.00 0.00 C ATOM 1216 O VAL A 81 6.797 -5.846 -18.583 1.00 0.00 O ATOM 1217 CB VAL A 81 5.144 -7.440 -16.264 1.00 0.00 C ATOM 1218 CG1 VAL A 81 4.797 -8.318 -17.468 1.00 0.00 C ATOM 1219 CG2 VAL A 81 6.385 -7.967 -15.541 1.00 0.00 C ATOM 0 H VAL A 81 3.381 -5.755 -15.957 1.00 0.00 H new ATOM 0 HA VAL A 81 6.197 -5.607 -16.137 1.00 0.00 H new ATOM 0 HB VAL A 81 4.307 -7.481 -15.567 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.668 -9.350 -17.141 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.872 -7.963 -17.923 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.603 -8.268 -18.200 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.224 -9.006 -15.252 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.247 -7.904 -16.205 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.569 -7.367 -14.650 1.00 0.00 H new ATOM 1229 N ASP A 82 4.573 -5.670 -18.951 1.00 0.00 N ATOM 1230 CA ASP A 82 4.712 -5.509 -20.389 1.00 0.00 C ATOM 1231 C ASP A 82 4.909 -4.028 -20.716 1.00 0.00 C ATOM 1232 O ASP A 82 4.821 -3.627 -21.876 1.00 0.00 O ATOM 1233 CB ASP A 82 3.458 -5.992 -21.120 1.00 0.00 C ATOM 1234 CG ASP A 82 3.720 -6.725 -22.437 1.00 0.00 C ATOM 1235 OD1 ASP A 82 4.900 -6.753 -22.847 1.00 0.00 O ATOM 1236 OD2 ASP A 82 2.732 -7.242 -23.005 1.00 0.00 O ATOM 0 H ASP A 82 3.612 -5.652 -18.611 1.00 0.00 H new ATOM 0 HA ASP A 82 5.569 -6.099 -20.713 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.902 -6.655 -20.457 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.819 -5.132 -21.321 1.00 0.00 H new ATOM 1241 N SER A 83 5.174 -3.255 -19.674 1.00 0.00 N ATOM 1242 CA SER A 83 5.385 -1.826 -19.835 1.00 0.00 C ATOM 1243 C SER A 83 6.771 -1.439 -19.315 1.00 0.00 C ATOM 1244 O SER A 83 6.987 -0.301 -18.901 1.00 0.00 O ATOM 1245 CB SER A 83 4.303 -1.025 -19.110 1.00 0.00 C ATOM 1246 OG SER A 83 4.350 0.360 -19.444 1.00 0.00 O ATOM 0 H SER A 83 5.248 -3.591 -18.714 1.00 0.00 H new ATOM 0 HA SER A 83 5.324 -1.589 -20.897 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.322 -1.426 -19.365 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.425 -1.143 -18.033 1.00 0.00 H new ATOM 0 HG SER A 83 5.273 0.683 -19.372 1.00 0.00 H new ATOM 1378 N PRO B 124 -6.519 11.084 -5.192 1.00 0.00 N ATOM 1379 CA PRO B 124 -5.794 11.451 -6.396 1.00 0.00 C ATOM 1380 C PRO B 124 -4.415 10.790 -6.430 1.00 0.00 C ATOM 1381 O PRO B 124 -3.399 11.473 -6.556 1.00 0.00 O ATOM 1382 CB PRO B 124 -5.726 12.969 -6.367 1.00 0.00 C ATOM 1383 CG PRO B 124 -6.001 13.371 -4.926 1.00 0.00 C ATOM 1384 CD PRO B 124 -6.567 12.159 -4.205 1.00 0.00 C ATOM 0 HA PRO B 124 -6.286 11.105 -7.305 1.00 0.00 H new ATOM 0 HB2 PRO B 124 -4.747 13.322 -6.691 1.00 0.00 H new ATOM 0 HB3 PRO B 124 -6.462 13.406 -7.042 1.00 0.00 H new ATOM 0 HG2 PRO B 124 -5.085 13.710 -4.442 1.00 0.00 H new ATOM 0 HG3 PRO B 124 -6.706 14.201 -4.889 1.00 0.00 H new ATOM 0 HD2 PRO B 124 -5.977 11.912 -3.322 1.00 0.00 H new ATOM 0 HD3 PRO B 124 -7.587 12.340 -3.866 1.00 0.00 H new ATOM 1392 N LEU B 125 -4.424 9.471 -6.315 1.00 0.00 N ATOM 1393 CA LEU B 125 -3.185 8.710 -6.331 1.00 0.00 C ATOM 1394 C LEU B 125 -2.289 9.179 -5.183 1.00 0.00 C ATOM 1395 O LEU B 125 -2.398 10.318 -4.731 1.00 0.00 O ATOM 1396 CB LEU B 125 -2.519 8.799 -7.706 1.00 0.00 C ATOM 1397 CG LEU B 125 -3.093 7.883 -8.789 1.00 0.00 C ATOM 1398 CD1 LEU B 125 -2.724 8.387 -10.185 1.00 0.00 C ATOM 1399 CD2 LEU B 125 -2.658 6.433 -8.569 1.00 0.00 C ATOM 0 H LEU B 125 -5.269 8.909 -6.210 1.00 0.00 H new ATOM 0 HA LEU B 125 -3.386 7.651 -6.168 1.00 0.00 H new ATOM 0 HB2 LEU B 125 -2.588 9.829 -8.055 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -1.459 8.572 -7.590 1.00 0.00 H new ATOM 0 HG LEU B 125 -4.180 7.907 -8.715 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -3.144 7.718 -10.936 1.00 0.00 H new ATOM 0 HD12 LEU B 125 -3.125 9.390 -10.327 1.00 0.00 H new ATOM 0 HD13 LEU B 125 -1.639 8.412 -10.288 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -3.080 5.804 -9.353 1.00 0.00 H new ATOM 0 HD22 LEU B 125 -1.570 6.371 -8.600 1.00 0.00 H new ATOM 0 HD23 LEU B 125 -3.014 6.090 -7.597 1.00 0.00 H new ATOM 1411 N PRO B 126 -1.401 8.253 -4.732 1.00 0.00 N ATOM 1412 CA PRO B 126 -0.487 8.560 -3.644 1.00 0.00 C ATOM 1413 C PRO B 126 0.649 9.467 -4.123 1.00 0.00 C ATOM 1414 O PRO B 126 0.882 9.595 -5.324 1.00 0.00 O ATOM 1415 CB PRO B 126 0.001 7.209 -3.147 1.00 0.00 C ATOM 1416 CG PRO B 126 -0.292 6.222 -4.266 1.00 0.00 C ATOM 1417 CD PRO B 126 -1.244 6.895 -5.242 1.00 0.00 C ATOM 0 HA PRO B 126 -0.964 9.117 -2.838 1.00 0.00 H new ATOM 0 HB2 PRO B 126 1.067 7.238 -2.921 1.00 0.00 H new ATOM 0 HB3 PRO B 126 -0.512 6.922 -2.229 1.00 0.00 H new ATOM 0 HG2 PRO B 126 0.630 5.932 -4.770 1.00 0.00 H new ATOM 0 HG3 PRO B 126 -0.737 5.311 -3.865 1.00 0.00 H new ATOM 0 HD2 PRO B 126 -0.838 6.897 -6.253 1.00 0.00 H new ATOM 0 HD3 PRO B 126 -2.201 6.375 -5.284 1.00 0.00 H new ATOM 1425 N PRO B 127 1.343 10.089 -3.133 1.00 0.00 N ATOM 1426 CA PRO B 127 2.449 10.980 -3.441 1.00 0.00 C ATOM 1427 C PRO B 127 3.689 10.190 -3.861 1.00 0.00 C ATOM 1428 O PRO B 127 4.263 9.455 -3.059 1.00 0.00 O ATOM 1429 CB PRO B 127 2.663 11.792 -2.174 1.00 0.00 C ATOM 1430 CG PRO B 127 1.986 11.013 -1.059 1.00 0.00 C ATOM 1431 CD PRO B 127 1.095 9.962 -1.700 1.00 0.00 C ATOM 0 HA PRO B 127 2.240 11.634 -4.287 1.00 0.00 H new ATOM 0 HB2 PRO B 127 3.726 11.923 -1.969 1.00 0.00 H new ATOM 0 HB3 PRO B 127 2.232 12.788 -2.271 1.00 0.00 H new ATOM 0 HG2 PRO B 127 2.730 10.542 -0.416 1.00 0.00 H new ATOM 0 HG3 PRO B 127 1.397 11.681 -0.430 1.00 0.00 H new ATOM 0 HD2 PRO B 127 1.342 8.962 -1.343 1.00 0.00 H new ATOM 0 HD3 PRO B 127 0.045 10.135 -1.463 1.00 0.00 H new ATOM 1439 N LEU B 128 4.067 10.367 -5.119 1.00 0.00 N ATOM 1440 CA LEU B 128 5.229 9.679 -5.656 1.00 0.00 C ATOM 1441 C LEU B 128 6.445 9.983 -4.779 1.00 0.00 C ATOM 1442 O LEU B 128 6.676 11.133 -4.409 1.00 0.00 O ATOM 1443 CB LEU B 128 5.428 10.034 -7.130 1.00 0.00 C ATOM 1444 CG LEU B 128 4.591 9.235 -8.132 1.00 0.00 C ATOM 1445 CD1 LEU B 128 5.011 9.548 -9.569 1.00 0.00 C ATOM 1446 CD2 LEU B 128 4.659 7.736 -7.829 1.00 0.00 C ATOM 0 H LEU B 128 3.589 10.977 -5.782 1.00 0.00 H new ATOM 0 HA LEU B 128 5.079 8.600 -5.631 1.00 0.00 H new ATOM 0 HB2 LEU B 128 5.203 11.092 -7.262 1.00 0.00 H new ATOM 0 HB3 LEU B 128 6.481 9.898 -7.377 1.00 0.00 H new ATOM 0 HG LEU B 128 3.549 9.539 -8.027 1.00 0.00 H new ATOM 0 HD11 LEU B 128 4.401 8.967 -10.261 1.00 0.00 H new ATOM 0 HD12 LEU B 128 4.871 10.611 -9.766 1.00 0.00 H new ATOM 0 HD13 LEU B 128 6.061 9.289 -9.706 1.00 0.00 H new ATOM 0 HD21 LEU B 128 4.056 7.190 -8.555 1.00 0.00 H new ATOM 0 HD22 LEU B 128 5.694 7.399 -7.890 1.00 0.00 H new ATOM 0 HD23 LEU B 128 4.276 7.550 -6.826 1.00 0.00 H new ATOM 1458 N PRO B 129 7.212 8.904 -4.465 1.00 0.00 N ATOM 1459 CA PRO B 129 8.400 9.045 -3.641 1.00 0.00 C ATOM 1460 C PRO B 129 9.548 9.673 -4.434 1.00 0.00 C ATOM 1461 O PRO B 129 9.325 10.283 -5.479 1.00 0.00 O ATOM 1462 CB PRO B 129 8.712 7.637 -3.158 1.00 0.00 C ATOM 1463 CG PRO B 129 7.971 6.701 -4.099 1.00 0.00 C ATOM 1464 CD PRO B 129 6.970 7.527 -4.887 1.00 0.00 C ATOM 0 HA PRO B 129 8.249 9.718 -2.797 1.00 0.00 H new ATOM 0 HB2 PRO B 129 9.785 7.445 -3.180 1.00 0.00 H new ATOM 0 HB3 PRO B 129 8.384 7.496 -2.128 1.00 0.00 H new ATOM 0 HG2 PRO B 129 8.670 6.205 -4.772 1.00 0.00 H new ATOM 0 HG3 PRO B 129 7.461 5.919 -3.536 1.00 0.00 H new ATOM 0 HD2 PRO B 129 7.118 7.410 -5.961 1.00 0.00 H new ATOM 0 HD3 PRO B 129 5.946 7.221 -4.671 1.00 0.00 H new