USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 665 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 104 ASN : amide:sc= -0.125 K(o=-0.073,f=-2.8!) USER MOD Set 1.2: A 105 THR OG1 : rot -16:sc= 0.0513 USER MOD Set 2.1: A 64 TYR OH : rot 180:sc= -0.101 USER MOD Set 2.2: A 78 ASN : amide:sc= -3.71! C(o=-3.8!,f=-9.2!) USER MOD Set 2.3: A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -3.48 K(o=-3.5,f=-9.6!) USER MOD Single : A 54 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.18) USER MOD Single : A 62 THR OG1 : rot 21:sc= 0.274 USER MOD Single : A 63 LYS NZ :NH3+ 171:sc=-0.00537 (180deg=-0.0973) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -146:sc= -0.459 (180deg=-1.78!) USER MOD Single : A 75 MET CE :methyl 170:sc= 0 (180deg=-0.188) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -33:sc= 1.02 USER MOD Single : A 88 HIS : no HD1:sc= -0.915 K(o=-0.91,f=-0.21) USER MOD Single : A 90 TYR OH : rot 180:sc= -1.36 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 1:sc= 1.1 USER MOD Single : A 99 SER OG : rot 180:sc= -0.461 USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 GLN : amide:sc= -0.159 K(o=-0.16,f=-1.8!) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 340 N PRO A 27 -1.048 16.238 -1.589 1.00 0.00 N ATOM 341 CA PRO A 27 -1.239 15.073 -0.720 1.00 0.00 C ATOM 342 C PRO A 27 -1.707 13.844 -1.492 1.00 0.00 C ATOM 343 O PRO A 27 -2.302 13.945 -2.565 1.00 0.00 O ATOM 344 CB PRO A 27 -2.322 15.534 0.259 1.00 0.00 C ATOM 345 CG PRO A 27 -3.070 16.592 -0.476 1.00 0.00 C ATOM 346 CD PRO A 27 -2.061 17.280 -1.353 1.00 0.00 C ATOM 0 HA PRO A 27 -0.310 14.768 -0.237 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -2.977 14.710 0.542 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -1.885 15.924 1.178 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -3.874 16.159 -1.072 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.530 17.297 0.216 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.508 17.625 -2.286 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.632 18.154 -0.863 1.00 0.00 H new ATOM 354 N PRO A 28 -1.434 12.655 -0.935 1.00 0.00 N ATOM 355 CA PRO A 28 -1.820 11.384 -1.555 1.00 0.00 C ATOM 356 C PRO A 28 -3.328 11.160 -1.529 1.00 0.00 C ATOM 357 O PRO A 28 -3.932 11.061 -0.460 1.00 0.00 O ATOM 358 CB PRO A 28 -1.109 10.338 -0.692 1.00 0.00 C ATOM 359 CG PRO A 28 -0.931 10.998 0.632 1.00 0.00 C ATOM 360 CD PRO A 28 -0.728 12.459 0.342 1.00 0.00 C ATOM 0 HA PRO A 28 -1.546 11.345 -2.609 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.702 9.428 -0.604 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.150 10.053 -1.125 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.804 10.844 1.266 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.074 10.583 1.163 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -1.143 13.087 1.131 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.330 12.709 0.259 1.00 0.00 H new ATOM 368 N ARG A 29 -3.930 11.080 -2.711 1.00 0.00 N ATOM 369 CA ARG A 29 -5.368 10.869 -2.823 1.00 0.00 C ATOM 370 C ARG A 29 -5.672 9.618 -3.643 1.00 0.00 C ATOM 371 O ARG A 29 -4.827 9.137 -4.396 1.00 0.00 O ATOM 372 CB ARG A 29 -6.036 12.087 -3.463 1.00 0.00 C ATOM 373 CG ARG A 29 -7.461 12.320 -2.989 1.00 0.00 C ATOM 374 CD ARG A 29 -7.491 13.051 -1.655 1.00 0.00 C ATOM 375 NE ARG A 29 -8.777 12.904 -0.980 1.00 0.00 N ATOM 376 CZ ARG A 29 -9.133 13.613 0.086 1.00 0.00 C ATOM 377 NH1 ARG A 29 -8.304 14.515 0.593 1.00 0.00 N ATOM 378 NH2 ARG A 29 -10.321 13.422 0.645 1.00 0.00 N ATOM 0 H ARG A 29 -3.444 11.158 -3.604 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.769 10.730 -1.819 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.440 12.974 -3.245 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.038 11.962 -4.546 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.004 12.900 -3.735 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.975 11.364 -2.893 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.698 12.667 -1.013 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.285 14.109 -1.817 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.438 12.220 -1.347 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.391 14.666 0.165 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.580 15.058 1.411 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.962 12.730 0.257 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.593 13.967 1.463 1.00 0.00 H new ATOM 392 N GLY A 30 -6.885 9.097 -3.491 1.00 0.00 N ATOM 393 CA GLY A 30 -7.279 7.907 -4.223 1.00 0.00 C ATOM 394 C GLY A 30 -6.208 6.834 -4.204 1.00 0.00 C ATOM 395 O GLY A 30 -5.959 6.177 -5.215 1.00 0.00 O ATOM 0 H GLY A 30 -7.603 9.478 -2.874 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.197 7.507 -3.793 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.501 8.176 -5.256 1.00 0.00 H new ATOM 399 N LEU A 31 -5.572 6.656 -3.051 1.00 0.00 N ATOM 400 CA LEU A 31 -4.520 5.656 -2.904 1.00 0.00 C ATOM 401 C LEU A 31 -5.113 4.282 -2.611 1.00 0.00 C ATOM 402 O LEU A 31 -5.662 4.050 -1.534 1.00 0.00 O ATOM 403 CB LEU A 31 -3.559 6.059 -1.785 1.00 0.00 C ATOM 404 CG LEU A 31 -2.284 5.224 -1.663 1.00 0.00 C ATOM 405 CD1 LEU A 31 -2.599 3.847 -1.099 1.00 0.00 C ATOM 406 CD2 LEU A 31 -1.593 5.104 -3.013 1.00 0.00 C ATOM 0 H LEU A 31 -5.766 7.191 -2.205 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.970 5.601 -3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.274 7.100 -1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.095 6.008 -0.837 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.607 5.730 -0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.679 3.267 -1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.048 3.952 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.296 3.333 -1.761 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.688 4.506 -2.906 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.264 4.622 -3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.331 6.097 -3.377 1.00 0.00 H new ATOM 418 N GLN A 32 -4.996 3.374 -3.575 1.00 0.00 N ATOM 419 CA GLN A 32 -5.519 2.022 -3.418 1.00 0.00 C ATOM 420 C GLN A 32 -4.640 1.010 -4.145 1.00 0.00 C ATOM 421 O GLN A 32 -3.768 1.382 -4.931 1.00 0.00 O ATOM 422 CB GLN A 32 -6.953 1.943 -3.947 1.00 0.00 C ATOM 423 CG GLN A 32 -7.968 2.643 -3.058 1.00 0.00 C ATOM 424 CD GLN A 32 -9.346 2.711 -3.688 1.00 0.00 C ATOM 425 OE1 GLN A 32 -10.057 1.709 -3.763 1.00 0.00 O ATOM 426 NE2 GLN A 32 -9.730 3.897 -4.145 1.00 0.00 N ATOM 0 H GLN A 32 -4.544 3.550 -4.472 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.517 1.780 -2.355 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.989 2.384 -4.943 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.236 0.896 -4.052 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.034 2.118 -2.105 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.621 3.653 -2.842 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.108 4.701 -4.062 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.647 4.004 -4.579 1.00 0.00 H new ATOM 435 N VAL A 33 -4.875 -0.270 -3.879 1.00 0.00 N ATOM 436 CA VAL A 33 -4.105 -1.336 -4.508 1.00 0.00 C ATOM 437 C VAL A 33 -5.001 -2.238 -5.350 1.00 0.00 C ATOM 438 O VAL A 33 -6.216 -2.277 -5.158 1.00 0.00 O ATOM 439 CB VAL A 33 -3.372 -2.194 -3.459 1.00 0.00 C ATOM 440 CG1 VAL A 33 -2.104 -1.497 -2.991 1.00 0.00 C ATOM 441 CG2 VAL A 33 -4.289 -2.496 -2.284 1.00 0.00 C ATOM 0 H VAL A 33 -5.593 -0.595 -3.232 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.369 -0.856 -5.153 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.088 -3.139 -3.922 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.600 -2.118 -2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.442 -1.337 -3.842 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.360 -0.536 -2.545 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.755 -3.103 -1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.605 -1.562 -1.819 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.165 -3.040 -2.637 1.00 0.00 H new ATOM 451 N SER A 34 -4.392 -2.963 -6.283 1.00 0.00 N ATOM 452 CA SER A 34 -5.135 -3.863 -7.158 1.00 0.00 C ATOM 453 C SER A 34 -4.295 -5.084 -7.521 1.00 0.00 C ATOM 454 O SER A 34 -3.086 -5.109 -7.289 1.00 0.00 O ATOM 455 CB SER A 34 -5.567 -3.130 -8.430 1.00 0.00 C ATOM 456 OG SER A 34 -6.541 -2.142 -8.143 1.00 0.00 O ATOM 0 H SER A 34 -3.386 -2.945 -6.453 1.00 0.00 H new ATOM 0 HA SER A 34 -6.022 -4.201 -6.623 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.699 -2.665 -8.898 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.970 -3.845 -9.147 1.00 0.00 H new ATOM 0 HG SER A 34 -6.799 -1.687 -8.972 1.00 0.00 H new ATOM 462 N ILE A 35 -4.945 -6.093 -8.090 1.00 0.00 N ATOM 463 CA ILE A 35 -4.259 -7.316 -8.486 1.00 0.00 C ATOM 464 C ILE A 35 -4.196 -7.445 -10.004 1.00 0.00 C ATOM 465 O ILE A 35 -5.200 -7.269 -10.693 1.00 0.00 O ATOM 466 CB ILE A 35 -4.952 -8.563 -7.905 1.00 0.00 C ATOM 467 CG1 ILE A 35 -4.964 -8.501 -6.376 1.00 0.00 C ATOM 468 CG2 ILE A 35 -4.254 -9.828 -8.383 1.00 0.00 C ATOM 469 CD1 ILE A 35 -5.873 -9.527 -5.737 1.00 0.00 C ATOM 0 H ILE A 35 -5.946 -6.088 -8.287 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.247 -7.253 -8.087 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.983 -8.585 -8.257 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.949 -8.647 -6.007 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.277 -7.505 -6.063 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.755 -10.701 -7.964 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.292 -9.875 -9.471 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.214 -9.815 -8.056 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.831 -9.425 -4.653 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.896 -9.369 -6.077 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.547 -10.528 -6.020 1.00 0.00 H new ATOM 481 N GLN A 36 -3.010 -7.754 -10.518 1.00 0.00 N ATOM 482 CA GLN A 36 -2.816 -7.907 -11.955 1.00 0.00 C ATOM 483 C GLN A 36 -3.720 -9.002 -12.512 1.00 0.00 C ATOM 484 O GLN A 36 -3.957 -10.017 -11.859 1.00 0.00 O ATOM 485 CB GLN A 36 -1.353 -8.231 -12.262 1.00 0.00 C ATOM 486 CG GLN A 36 -0.535 -7.018 -12.675 1.00 0.00 C ATOM 487 CD GLN A 36 0.920 -7.130 -12.267 1.00 0.00 C ATOM 488 OE1 GLN A 36 1.372 -8.183 -11.817 1.00 0.00 O ATOM 489 NE2 GLN A 36 1.664 -6.041 -12.424 1.00 0.00 N ATOM 0 H GLN A 36 -2.169 -7.903 -9.961 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.080 -6.964 -12.435 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -0.897 -8.683 -11.381 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -1.313 -8.974 -13.059 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.597 -6.894 -13.756 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.967 -6.123 -12.226 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.248 -5.189 -12.801 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.651 -6.056 -12.168 1.00 0.00 H new ATOM 498 N GLY A 37 -4.222 -8.789 -13.725 1.00 0.00 N ATOM 499 CA GLY A 37 -5.094 -9.766 -14.349 1.00 0.00 C ATOM 500 C GLY A 37 -6.350 -10.022 -13.540 1.00 0.00 C ATOM 501 O GLY A 37 -6.278 -10.330 -12.351 1.00 0.00 O ATOM 0 H GLY A 37 -4.040 -7.957 -14.286 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.371 -9.418 -15.344 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.552 -10.703 -14.478 1.00 0.00 H new ATOM 505 N GLU A 38 -7.505 -9.894 -14.186 1.00 0.00 N ATOM 506 CA GLU A 38 -8.782 -10.112 -13.517 1.00 0.00 C ATOM 507 C GLU A 38 -8.847 -11.511 -12.910 1.00 0.00 C ATOM 508 O GLU A 38 -8.963 -12.505 -13.626 1.00 0.00 O ATOM 509 CB GLU A 38 -9.938 -9.918 -14.501 1.00 0.00 C ATOM 510 CG GLU A 38 -11.297 -9.809 -13.829 1.00 0.00 C ATOM 511 CD GLU A 38 -12.423 -9.593 -14.822 1.00 0.00 C ATOM 512 OE1 GLU A 38 -12.647 -10.484 -15.668 1.00 0.00 O ATOM 513 OE2 GLU A 38 -13.079 -8.533 -14.752 1.00 0.00 O ATOM 0 H GLU A 38 -7.582 -9.641 -15.171 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.871 -9.381 -12.713 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.758 -9.016 -15.087 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.954 -10.754 -15.200 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.490 -10.717 -13.258 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.281 -8.983 -13.118 1.00 0.00 H new ATOM 520 N ALA A 39 -8.770 -11.579 -11.585 1.00 0.00 N ATOM 521 CA ALA A 39 -8.820 -12.854 -10.881 1.00 0.00 C ATOM 522 C ALA A 39 -10.125 -13.001 -10.105 1.00 0.00 C ATOM 523 O ALA A 39 -10.778 -12.010 -9.776 1.00 0.00 O ATOM 524 CB ALA A 39 -7.629 -12.987 -9.944 1.00 0.00 C ATOM 0 H ALA A 39 -8.673 -10.765 -10.977 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.776 -13.652 -11.622 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.680 -13.944 -9.425 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.705 -12.935 -10.520 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.648 -12.177 -9.215 1.00 0.00 H new ATOM 530 N VAL A 40 -10.499 -14.243 -9.815 1.00 0.00 N ATOM 531 CA VAL A 40 -11.726 -14.519 -9.077 1.00 0.00 C ATOM 532 C VAL A 40 -11.448 -15.388 -7.855 1.00 0.00 C ATOM 533 O VAL A 40 -11.752 -15.005 -6.726 1.00 0.00 O ATOM 534 CB VAL A 40 -12.770 -15.220 -9.966 1.00 0.00 C ATOM 535 CG1 VAL A 40 -14.029 -15.529 -9.170 1.00 0.00 C ATOM 536 CG2 VAL A 40 -13.094 -14.365 -11.181 1.00 0.00 C ATOM 0 H VAL A 40 -9.970 -15.074 -10.080 1.00 0.00 H new ATOM 0 HA VAL A 40 -12.124 -13.557 -8.752 1.00 0.00 H new ATOM 0 HB VAL A 40 -12.350 -16.163 -10.315 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -14.755 -16.024 -9.815 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -13.780 -16.183 -8.335 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -14.456 -14.601 -8.789 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -13.833 -14.875 -11.798 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -13.494 -13.405 -10.854 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -12.187 -14.201 -11.763 1.00 0.00 H new ATOM 546 N ALA A 41 -10.868 -16.561 -8.090 1.00 0.00 N ATOM 547 CA ALA A 41 -10.547 -17.484 -7.009 1.00 0.00 C ATOM 548 C ALA A 41 -9.172 -18.111 -7.213 1.00 0.00 C ATOM 549 O ALA A 41 -8.973 -18.913 -8.126 1.00 0.00 O ATOM 550 CB ALA A 41 -11.612 -18.566 -6.904 1.00 0.00 C ATOM 0 H ALA A 41 -10.611 -16.894 -9.019 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.526 -16.919 -6.077 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.359 -19.248 -6.092 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.579 -18.106 -6.703 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.661 -19.120 -7.841 1.00 0.00 H new ATOM 556 N VAL A 42 -8.225 -17.741 -6.357 1.00 0.00 N ATOM 557 CA VAL A 42 -6.868 -18.267 -6.443 1.00 0.00 C ATOM 558 C VAL A 42 -6.693 -19.485 -5.543 1.00 0.00 C ATOM 559 O VAL A 42 -7.454 -19.684 -4.596 1.00 0.00 O ATOM 560 CB VAL A 42 -5.826 -17.201 -6.056 1.00 0.00 C ATOM 561 CG1 VAL A 42 -4.536 -17.859 -5.592 1.00 0.00 C ATOM 562 CG2 VAL A 42 -5.565 -16.262 -7.224 1.00 0.00 C ATOM 0 H VAL A 42 -8.373 -17.079 -5.596 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.707 -18.560 -7.481 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.224 -16.613 -5.229 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.812 -17.090 -5.323 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.739 -18.486 -4.724 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.131 -18.473 -6.396 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.826 -15.515 -6.933 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.188 -16.833 -8.073 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.493 -15.764 -7.505 1.00 0.00 H new ATOM 572 N ARG A 43 -5.684 -20.296 -5.843 1.00 0.00 N ATOM 573 CA ARG A 43 -5.408 -21.495 -5.061 1.00 0.00 C ATOM 574 C ARG A 43 -4.458 -21.185 -3.908 1.00 0.00 C ATOM 575 O ARG A 43 -3.639 -20.269 -3.976 1.00 0.00 O ATOM 576 CB ARG A 43 -4.809 -22.585 -5.951 1.00 0.00 C ATOM 577 CG ARG A 43 -5.849 -23.500 -6.576 1.00 0.00 C ATOM 578 CD ARG A 43 -5.352 -24.099 -7.883 1.00 0.00 C ATOM 579 NE ARG A 43 -6.073 -25.318 -8.236 1.00 0.00 N ATOM 580 CZ ARG A 43 -5.723 -26.114 -9.241 1.00 0.00 C ATOM 581 NH1 ARG A 43 -4.667 -25.821 -9.987 1.00 0.00 N ATOM 582 NH2 ARG A 43 -6.430 -27.207 -9.500 1.00 0.00 N ATOM 0 H ARG A 43 -5.044 -20.144 -6.622 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.351 -21.853 -4.647 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.227 -22.116 -6.744 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.117 -23.185 -5.360 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.097 -24.300 -5.879 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.766 -22.940 -6.757 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.464 -23.367 -8.683 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.288 -24.319 -7.799 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.890 -25.573 -7.681 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.120 -24.983 -9.790 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.401 -26.434 -10.758 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.242 -27.436 -8.928 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.161 -27.818 -10.272 1.00 0.00 H new ATOM 596 N PRO A 44 -4.568 -21.967 -2.823 1.00 0.00 N ATOM 597 CA PRO A 44 -3.726 -21.796 -1.636 1.00 0.00 C ATOM 598 C PRO A 44 -2.275 -22.188 -1.892 1.00 0.00 C ATOM 599 O PRO A 44 -1.916 -23.362 -1.811 1.00 0.00 O ATOM 600 CB PRO A 44 -4.362 -22.739 -0.611 1.00 0.00 C ATOM 601 CG PRO A 44 -5.050 -23.777 -1.428 1.00 0.00 C ATOM 602 CD PRO A 44 -5.522 -23.079 -2.674 1.00 0.00 C ATOM 0 HA PRO A 44 -3.686 -20.756 -1.312 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -3.609 -23.183 0.040 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.066 -22.209 0.031 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.371 -24.594 -1.672 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.888 -24.211 -0.882 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.504 -23.743 -3.538 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.546 -22.719 -2.570 1.00 0.00 H new ATOM 610 N GLY A 45 -1.444 -21.197 -2.201 1.00 0.00 N ATOM 611 CA GLY A 45 -0.041 -21.460 -2.464 1.00 0.00 C ATOM 612 C GLY A 45 0.429 -20.845 -3.767 1.00 0.00 C ATOM 613 O GLY A 45 1.554 -21.086 -4.203 1.00 0.00 O ATOM 0 H GLY A 45 -1.717 -20.217 -2.274 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.559 -21.068 -1.643 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.124 -22.537 -2.493 1.00 0.00 H new ATOM 617 N GLU A 46 -0.434 -20.049 -4.391 1.00 0.00 N ATOM 618 CA GLU A 46 -0.101 -19.400 -5.653 1.00 0.00 C ATOM 619 C GLU A 46 0.480 -18.010 -5.413 1.00 0.00 C ATOM 620 O GLU A 46 0.323 -17.437 -4.334 1.00 0.00 O ATOM 621 CB GLU A 46 -1.340 -19.301 -6.544 1.00 0.00 C ATOM 622 CG GLU A 46 -1.740 -20.622 -7.181 1.00 0.00 C ATOM 623 CD GLU A 46 -0.553 -21.384 -7.738 1.00 0.00 C ATOM 624 OE1 GLU A 46 0.183 -20.810 -8.568 1.00 0.00 O ATOM 625 OE2 GLU A 46 -0.360 -22.553 -7.344 1.00 0.00 O ATOM 0 H GLU A 46 -1.369 -19.838 -4.043 1.00 0.00 H new ATOM 0 HA GLU A 46 0.651 -20.007 -6.157 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.174 -18.926 -5.951 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.154 -18.570 -7.331 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.248 -21.239 -6.440 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.454 -20.433 -7.982 1.00 0.00 H new ATOM 632 N ASP A 47 1.151 -17.472 -6.426 1.00 0.00 N ATOM 633 CA ASP A 47 1.754 -16.149 -6.326 1.00 0.00 C ATOM 634 C ASP A 47 0.829 -15.084 -6.909 1.00 0.00 C ATOM 635 O ASP A 47 0.539 -15.087 -8.105 1.00 0.00 O ATOM 636 CB ASP A 47 3.101 -16.123 -7.051 1.00 0.00 C ATOM 637 CG ASP A 47 3.951 -17.339 -6.736 1.00 0.00 C ATOM 638 OD1 ASP A 47 4.702 -17.295 -5.740 1.00 0.00 O ATOM 639 OD2 ASP A 47 3.865 -18.334 -7.486 1.00 0.00 O ATOM 0 H ASP A 47 1.291 -17.932 -7.325 1.00 0.00 H new ATOM 0 HA ASP A 47 1.913 -15.929 -5.270 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.931 -16.071 -8.126 1.00 0.00 H new ATOM 0 HB3 ASP A 47 3.644 -15.221 -6.770 1.00 0.00 H new ATOM 644 N VAL A 48 0.369 -14.176 -6.055 1.00 0.00 N ATOM 645 CA VAL A 48 -0.523 -13.106 -6.484 1.00 0.00 C ATOM 646 C VAL A 48 0.219 -11.777 -6.581 1.00 0.00 C ATOM 647 O VAL A 48 1.006 -11.428 -5.701 1.00 0.00 O ATOM 648 CB VAL A 48 -1.714 -12.947 -5.520 1.00 0.00 C ATOM 649 CG1 VAL A 48 -1.248 -12.389 -4.184 1.00 0.00 C ATOM 650 CG2 VAL A 48 -2.782 -12.056 -6.136 1.00 0.00 C ATOM 0 H VAL A 48 0.599 -14.160 -5.061 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.897 -13.383 -7.470 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.151 -13.930 -5.344 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.103 -12.283 -3.516 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.521 -13.069 -3.739 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.785 -11.414 -4.338 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.616 -11.954 -5.442 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.360 -11.072 -6.343 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.136 -12.502 -7.066 1.00 0.00 H new ATOM 660 N LEU A 49 -0.037 -11.040 -7.656 1.00 0.00 N ATOM 661 CA LEU A 49 0.606 -9.748 -7.869 1.00 0.00 C ATOM 662 C LEU A 49 -0.210 -8.624 -7.240 1.00 0.00 C ATOM 663 O LEU A 49 -1.409 -8.769 -7.004 1.00 0.00 O ATOM 664 CB LEU A 49 0.787 -9.487 -9.366 1.00 0.00 C ATOM 665 CG LEU A 49 1.882 -10.297 -10.061 1.00 0.00 C ATOM 666 CD1 LEU A 49 3.247 -9.678 -9.805 1.00 0.00 C ATOM 667 CD2 LEU A 49 1.854 -11.744 -9.592 1.00 0.00 C ATOM 0 H LEU A 49 -0.685 -11.315 -8.394 1.00 0.00 H new ATOM 0 HA LEU A 49 1.585 -9.773 -7.390 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.160 -9.689 -9.867 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.002 -8.428 -9.506 1.00 0.00 H new ATOM 0 HG LEU A 49 1.694 -10.281 -11.135 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.014 -10.268 -10.307 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.262 -8.659 -10.191 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.445 -9.663 -8.733 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.640 -12.305 -10.097 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.017 -11.781 -8.515 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.885 -12.184 -9.828 1.00 0.00 H new ATOM 679 N PHE A 50 0.449 -7.501 -6.972 1.00 0.00 N ATOM 680 CA PHE A 50 -0.215 -6.350 -6.371 1.00 0.00 C ATOM 681 C PHE A 50 0.278 -5.049 -6.997 1.00 0.00 C ATOM 682 O PHE A 50 1.401 -4.612 -6.743 1.00 0.00 O ATOM 683 CB PHE A 50 0.026 -6.326 -4.860 1.00 0.00 C ATOM 684 CG PHE A 50 -1.004 -7.087 -4.076 1.00 0.00 C ATOM 685 CD1 PHE A 50 -2.292 -6.594 -3.938 1.00 0.00 C ATOM 686 CD2 PHE A 50 -0.686 -8.294 -3.476 1.00 0.00 C ATOM 687 CE1 PHE A 50 -3.243 -7.291 -3.217 1.00 0.00 C ATOM 688 CE2 PHE A 50 -1.633 -8.996 -2.754 1.00 0.00 C ATOM 689 CZ PHE A 50 -2.912 -8.494 -2.624 1.00 0.00 C ATOM 0 H PHE A 50 1.442 -7.364 -7.162 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.285 -6.441 -6.560 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.011 -6.743 -4.651 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.039 -5.291 -4.519 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.556 -5.654 -4.399 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.313 -8.691 -3.573 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.243 -6.896 -3.117 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.372 -9.937 -2.292 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.653 -9.041 -2.060 1.00 0.00 H new ATOM 699 N VAL A 51 -0.569 -4.435 -7.817 1.00 0.00 N ATOM 700 CA VAL A 51 -0.220 -3.184 -8.479 1.00 0.00 C ATOM 701 C VAL A 51 -0.605 -1.983 -7.623 1.00 0.00 C ATOM 702 O VAL A 51 -1.702 -1.928 -7.069 1.00 0.00 O ATOM 703 CB VAL A 51 -0.910 -3.065 -9.852 1.00 0.00 C ATOM 704 CG1 VAL A 51 -0.249 -1.980 -10.689 1.00 0.00 C ATOM 705 CG2 VAL A 51 -0.884 -4.401 -10.578 1.00 0.00 C ATOM 0 H VAL A 51 -1.502 -4.784 -8.039 1.00 0.00 H new ATOM 0 HA VAL A 51 0.860 -3.192 -8.623 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.951 -2.784 -9.694 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.749 -1.910 -11.655 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.325 -1.024 -10.171 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.802 -2.227 -10.842 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.375 -4.299 -11.546 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.149 -4.714 -10.727 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.407 -5.149 -9.982 1.00 0.00 H new ATOM 715 N VAL A 52 0.306 -1.021 -7.520 1.00 0.00 N ATOM 716 CA VAL A 52 0.063 0.182 -6.732 1.00 0.00 C ATOM 717 C VAL A 52 0.065 1.426 -7.613 1.00 0.00 C ATOM 718 O VAL A 52 0.953 1.606 -8.448 1.00 0.00 O ATOM 719 CB VAL A 52 1.118 0.350 -5.623 1.00 0.00 C ATOM 720 CG1 VAL A 52 2.521 0.265 -6.203 1.00 0.00 C ATOM 721 CG2 VAL A 52 0.914 1.667 -4.889 1.00 0.00 C ATOM 0 H VAL A 52 1.220 -1.051 -7.972 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.919 0.066 -6.274 1.00 0.00 H new ATOM 0 HB VAL A 52 0.998 -0.462 -4.906 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.253 0.386 -5.404 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.660 -0.706 -6.678 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.657 1.054 -6.943 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.668 1.769 -4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.006 2.494 -5.593 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.078 1.683 -4.439 1.00 0.00 H new ATOM 731 N ARG A 53 -0.934 2.282 -7.422 1.00 0.00 N ATOM 732 CA ARG A 53 -1.047 3.509 -8.200 1.00 0.00 C ATOM 733 C ARG A 53 -1.922 4.531 -7.480 1.00 0.00 C ATOM 734 O ARG A 53 -2.655 4.189 -6.552 1.00 0.00 O ATOM 735 CB ARG A 53 -1.628 3.210 -9.584 1.00 0.00 C ATOM 736 CG ARG A 53 -1.356 4.300 -10.607 1.00 0.00 C ATOM 737 CD ARG A 53 -1.824 3.890 -11.995 1.00 0.00 C ATOM 738 NE ARG A 53 -3.276 3.970 -12.129 1.00 0.00 N ATOM 739 CZ ARG A 53 -4.102 2.995 -11.765 1.00 0.00 C ATOM 740 NH1 ARG A 53 -3.622 1.873 -11.249 1.00 0.00 N ATOM 741 NH2 ARG A 53 -5.412 3.143 -11.918 1.00 0.00 N ATOM 0 H ARG A 53 -1.676 2.148 -6.735 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.048 3.929 -8.316 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.213 2.270 -9.948 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.705 3.069 -9.494 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.863 5.217 -10.307 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.289 4.519 -10.632 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.355 4.533 -12.740 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.497 2.871 -12.202 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.678 4.820 -12.523 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.616 1.756 -11.130 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.259 1.126 -10.971 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.785 4.005 -12.315 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.046 2.394 -11.639 1.00 0.00 H new ATOM 755 N GLN A 54 -1.839 5.785 -7.914 1.00 0.00 N ATOM 756 CA GLN A 54 -2.622 6.855 -7.309 1.00 0.00 C ATOM 757 C GLN A 54 -3.431 7.601 -8.364 1.00 0.00 C ATOM 758 O GLN A 54 -2.986 7.762 -9.501 1.00 0.00 O ATOM 759 CB GLN A 54 -1.706 7.830 -6.568 1.00 0.00 C ATOM 760 CG GLN A 54 -2.435 8.704 -5.559 1.00 0.00 C ATOM 761 CD GLN A 54 -1.498 9.616 -4.792 1.00 0.00 C ATOM 762 OE1 GLN A 54 -0.676 9.156 -3.999 1.00 0.00 O ATOM 763 NE2 GLN A 54 -1.617 10.918 -5.025 1.00 0.00 N ATOM 0 H GLN A 54 -1.238 6.084 -8.682 1.00 0.00 H new ATOM 0 HA GLN A 54 -3.314 6.406 -6.597 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -0.929 7.265 -6.052 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.206 8.469 -7.295 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -3.179 9.308 -6.078 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.974 8.069 -4.856 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -2.312 11.256 -5.691 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -1.013 11.580 -4.538 1.00 0.00 H new ATOM 872 N THR A 62 7.137 8.882 -0.347 1.00 0.00 N ATOM 873 CA THR A 62 5.940 8.489 0.386 1.00 0.00 C ATOM 874 C THR A 62 6.087 7.089 0.970 1.00 0.00 C ATOM 875 O THR A 62 6.075 6.096 0.242 1.00 0.00 O ATOM 876 CB THR A 62 4.691 8.527 -0.516 1.00 0.00 C ATOM 877 OG1 THR A 62 4.684 9.731 -1.291 1.00 0.00 O ATOM 878 CG2 THR A 62 3.420 8.446 0.316 1.00 0.00 C ATOM 0 HA THR A 62 5.817 9.207 1.197 1.00 0.00 H new ATOM 0 HB THR A 62 4.725 7.666 -1.183 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.592 10.096 -1.337 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.552 8.475 -0.342 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.415 7.515 0.883 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.381 9.290 1.004 1.00 0.00 H new ATOM 886 N LYS A 63 6.226 7.015 2.289 1.00 0.00 N ATOM 887 CA LYS A 63 6.375 5.736 2.973 1.00 0.00 C ATOM 888 C LYS A 63 5.087 4.922 2.890 1.00 0.00 C ATOM 889 O LYS A 63 4.026 5.377 3.318 1.00 0.00 O ATOM 890 CB LYS A 63 6.756 5.959 4.438 1.00 0.00 C ATOM 891 CG LYS A 63 8.002 6.808 4.620 1.00 0.00 C ATOM 892 CD LYS A 63 9.259 5.955 4.654 1.00 0.00 C ATOM 893 CE LYS A 63 10.512 6.811 4.756 1.00 0.00 C ATOM 894 NZ LYS A 63 10.557 7.578 6.032 1.00 0.00 N ATOM 0 H LYS A 63 6.239 7.827 2.906 1.00 0.00 H new ATOM 0 HA LYS A 63 7.170 5.178 2.478 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.923 6.437 4.953 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.913 4.992 4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.073 7.530 3.806 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.923 7.378 5.546 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.214 5.272 5.503 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.308 5.342 3.754 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.394 6.174 4.684 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.549 7.503 3.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.489 8.028 6.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.818 8.310 6.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.395 6.932 6.831 1.00 0.00 H new ATOM 908 N TYR A 64 5.188 3.718 2.340 1.00 0.00 N ATOM 909 CA TYR A 64 4.032 2.841 2.201 1.00 0.00 C ATOM 910 C TYR A 64 4.199 1.580 3.043 1.00 0.00 C ATOM 911 O TYR A 64 5.136 0.808 2.843 1.00 0.00 O ATOM 912 CB TYR A 64 3.825 2.464 0.733 1.00 0.00 C ATOM 913 CG TYR A 64 3.606 3.654 -0.173 1.00 0.00 C ATOM 914 CD1 TYR A 64 2.363 4.270 -0.256 1.00 0.00 C ATOM 915 CD2 TYR A 64 4.642 4.163 -0.947 1.00 0.00 C ATOM 916 CE1 TYR A 64 2.158 5.357 -1.083 1.00 0.00 C ATOM 917 CE2 TYR A 64 4.447 5.251 -1.776 1.00 0.00 C ATOM 918 CZ TYR A 64 3.203 5.844 -1.841 1.00 0.00 C ATOM 919 OH TYR A 64 3.004 6.927 -2.666 1.00 0.00 O ATOM 0 H TYR A 64 6.059 3.326 1.983 1.00 0.00 H new ATOM 0 HA TYR A 64 3.155 3.380 2.558 1.00 0.00 H new ATOM 0 HB2 TYR A 64 4.695 1.907 0.384 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.967 1.796 0.656 1.00 0.00 H new ATOM 0 HD1 TYR A 64 1.543 3.892 0.337 1.00 0.00 H new ATOM 0 HD2 TYR A 64 5.617 3.700 -0.900 1.00 0.00 H new ATOM 0 HE1 TYR A 64 1.185 5.823 -1.136 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.264 5.635 -2.370 1.00 0.00 H new ATOM 0 HH TYR A 64 3.840 7.144 -3.129 1.00 0.00 H new ATOM 929 N GLN A 65 3.282 1.379 3.984 1.00 0.00 N ATOM 930 CA GLN A 65 3.328 0.212 4.858 1.00 0.00 C ATOM 931 C GLN A 65 2.423 -0.897 4.332 1.00 0.00 C ATOM 932 O GLN A 65 1.216 -0.894 4.575 1.00 0.00 O ATOM 933 CB GLN A 65 2.912 0.596 6.279 1.00 0.00 C ATOM 934 CG GLN A 65 3.189 -0.488 7.307 1.00 0.00 C ATOM 935 CD GLN A 65 4.608 -0.438 7.839 1.00 0.00 C ATOM 936 OE1 GLN A 65 4.925 0.361 8.721 1.00 0.00 O ATOM 937 NE2 GLN A 65 5.471 -1.295 7.305 1.00 0.00 N ATOM 0 H GLN A 65 2.499 2.008 4.161 1.00 0.00 H new ATOM 0 HA GLN A 65 4.353 -0.158 4.875 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.439 1.505 6.570 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.847 0.829 6.287 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.490 -0.384 8.137 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.007 -1.464 6.858 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.165 -1.940 6.576 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.440 -1.308 7.624 1.00 0.00 H new ATOM 946 N VAL A 66 3.013 -1.843 3.609 1.00 0.00 N ATOM 947 CA VAL A 66 2.260 -2.959 3.049 1.00 0.00 C ATOM 948 C VAL A 66 2.165 -4.111 4.043 1.00 0.00 C ATOM 949 O VAL A 66 3.175 -4.703 4.421 1.00 0.00 O ATOM 950 CB VAL A 66 2.902 -3.471 1.746 1.00 0.00 C ATOM 951 CG1 VAL A 66 2.119 -4.652 1.193 1.00 0.00 C ATOM 952 CG2 VAL A 66 2.988 -2.352 0.719 1.00 0.00 C ATOM 0 H VAL A 66 4.011 -1.859 3.397 1.00 0.00 H new ATOM 0 HA VAL A 66 1.259 -2.588 2.830 1.00 0.00 H new ATOM 0 HB VAL A 66 3.914 -3.808 1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.587 -5.000 0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.113 -5.460 1.925 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.094 -4.344 0.985 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.444 -2.732 -0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.986 -1.983 0.499 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.595 -1.539 1.117 1.00 0.00 H new ATOM 962 N ASP A 67 0.943 -4.425 4.461 1.00 0.00 N ATOM 963 CA ASP A 67 0.715 -5.508 5.410 1.00 0.00 C ATOM 964 C ASP A 67 -0.025 -6.665 4.746 1.00 0.00 C ATOM 965 O ASP A 67 -1.210 -6.558 4.429 1.00 0.00 O ATOM 966 CB ASP A 67 -0.082 -5.001 6.613 1.00 0.00 C ATOM 967 CG ASP A 67 -0.228 -6.052 7.696 1.00 0.00 C ATOM 968 OD1 ASP A 67 0.712 -6.855 7.874 1.00 0.00 O ATOM 969 OD2 ASP A 67 -1.282 -6.071 8.365 1.00 0.00 O ATOM 0 H ASP A 67 0.096 -3.945 4.157 1.00 0.00 H new ATOM 0 HA ASP A 67 1.685 -5.869 5.752 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.412 -4.122 7.028 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.071 -4.684 6.282 1.00 0.00 H new ATOM 974 N LEU A 68 0.683 -7.770 4.537 1.00 0.00 N ATOM 975 CA LEU A 68 0.094 -8.948 3.909 1.00 0.00 C ATOM 976 C LEU A 68 -0.906 -9.621 4.844 1.00 0.00 C ATOM 977 O LEU A 68 -1.997 -10.008 4.428 1.00 0.00 O ATOM 978 CB LEU A 68 1.189 -9.941 3.515 1.00 0.00 C ATOM 979 CG LEU A 68 1.928 -9.642 2.210 1.00 0.00 C ATOM 980 CD1 LEU A 68 1.094 -10.074 1.014 1.00 0.00 C ATOM 981 CD2 LEU A 68 2.271 -8.163 2.118 1.00 0.00 C ATOM 0 H LEU A 68 1.665 -7.875 4.793 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.435 -8.625 3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.921 -9.984 4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.742 -10.932 3.437 1.00 0.00 H new ATOM 0 HG LEU A 68 2.858 -10.210 2.203 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.636 -9.854 0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.900 -11.145 1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.147 -9.533 1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.797 -7.969 1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.354 -7.574 2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.909 -7.884 2.957 1.00 0.00 H new ATOM 993 N GLY A 69 -0.527 -9.755 6.111 1.00 0.00 N ATOM 994 CA GLY A 69 -1.403 -10.379 7.086 1.00 0.00 C ATOM 995 C GLY A 69 -0.822 -11.660 7.650 1.00 0.00 C ATOM 996 O GLY A 69 -0.753 -11.835 8.867 1.00 0.00 O ATOM 0 H GLY A 69 0.371 -9.443 6.480 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.592 -9.680 7.900 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.365 -10.594 6.621 1.00 0.00 H new ATOM 1000 N ASP A 70 -0.406 -12.559 6.765 1.00 0.00 N ATOM 1001 CA ASP A 70 0.171 -13.832 7.181 1.00 0.00 C ATOM 1002 C ASP A 70 1.407 -13.611 8.046 1.00 0.00 C ATOM 1003 O ASP A 70 1.412 -13.933 9.234 1.00 0.00 O ATOM 1004 CB ASP A 70 0.532 -14.677 5.959 1.00 0.00 C ATOM 1005 CG ASP A 70 1.706 -15.601 6.220 1.00 0.00 C ATOM 1006 OD1 ASP A 70 1.859 -16.052 7.374 1.00 0.00 O ATOM 1007 OD2 ASP A 70 2.471 -15.872 5.270 1.00 0.00 O ATOM 0 H ASP A 70 -0.458 -12.430 5.755 1.00 0.00 H new ATOM 0 HA ASP A 70 -0.574 -14.364 7.773 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.334 -15.269 5.662 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.770 -14.019 5.123 1.00 0.00 H new ATOM 1012 N GLY A 71 2.456 -13.061 7.442 1.00 0.00 N ATOM 1013 CA GLY A 71 3.685 -12.808 8.171 1.00 0.00 C ATOM 1014 C GLY A 71 4.681 -11.998 7.366 1.00 0.00 C ATOM 1015 O GLY A 71 5.891 -12.186 7.493 1.00 0.00 O ATOM 0 H GLY A 71 2.476 -12.786 6.460 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.453 -12.278 9.095 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.138 -13.758 8.454 1.00 0.00 H new ATOM 1019 N PHE A 72 4.172 -11.096 6.534 1.00 0.00 N ATOM 1020 CA PHE A 72 5.026 -10.255 5.702 1.00 0.00 C ATOM 1021 C PHE A 72 4.926 -8.792 6.124 1.00 0.00 C ATOM 1022 O PHE A 72 3.831 -8.244 6.249 1.00 0.00 O ATOM 1023 CB PHE A 72 4.641 -10.401 4.229 1.00 0.00 C ATOM 1024 CG PHE A 72 5.793 -10.203 3.285 1.00 0.00 C ATOM 1025 CD1 PHE A 72 6.860 -11.087 3.278 1.00 0.00 C ATOM 1026 CD2 PHE A 72 5.809 -9.133 2.405 1.00 0.00 C ATOM 1027 CE1 PHE A 72 7.921 -10.906 2.412 1.00 0.00 C ATOM 1028 CE2 PHE A 72 6.867 -8.947 1.536 1.00 0.00 C ATOM 1029 CZ PHE A 72 7.925 -9.836 1.539 1.00 0.00 C ATOM 0 H PHE A 72 3.173 -10.928 6.417 1.00 0.00 H new ATOM 0 HA PHE A 72 6.057 -10.583 5.835 1.00 0.00 H new ATOM 0 HB2 PHE A 72 4.217 -11.392 4.069 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.860 -9.678 3.993 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.862 -11.927 3.957 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.984 -8.436 2.398 1.00 0.00 H new ATOM 0 HE1 PHE A 72 8.747 -11.601 2.418 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.867 -8.108 0.856 1.00 0.00 H new ATOM 0 HZ PHE A 72 8.753 -9.694 0.860 1.00 0.00 H new ATOM 1039 N LYS A 73 6.077 -8.166 6.342 1.00 0.00 N ATOM 1040 CA LYS A 73 6.122 -6.766 6.749 1.00 0.00 C ATOM 1041 C LYS A 73 7.282 -6.041 6.075 1.00 0.00 C ATOM 1042 O LYS A 73 8.446 -6.287 6.388 1.00 0.00 O ATOM 1043 CB LYS A 73 6.254 -6.660 8.270 1.00 0.00 C ATOM 1044 CG LYS A 73 4.921 -6.660 8.998 1.00 0.00 C ATOM 1045 CD LYS A 73 5.028 -5.986 10.355 1.00 0.00 C ATOM 1046 CE LYS A 73 4.879 -4.476 10.241 1.00 0.00 C ATOM 1047 NZ LYS A 73 6.183 -3.810 9.967 1.00 0.00 N ATOM 0 H LYS A 73 6.992 -8.606 6.244 1.00 0.00 H new ATOM 0 HA LYS A 73 5.191 -6.292 6.438 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.857 -7.493 8.633 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.793 -5.745 8.517 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.175 -6.145 8.393 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.575 -7.686 9.126 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.259 -6.379 11.019 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.991 -6.225 10.806 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.175 -4.240 9.443 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.457 -4.082 11.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.204 -2.882 10.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.958 -4.400 10.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.299 -3.682 8.941 1.00 0.00 H new ATOM 1061 N ALA A 74 6.956 -5.144 5.150 1.00 0.00 N ATOM 1062 CA ALA A 74 7.971 -4.380 4.435 1.00 0.00 C ATOM 1063 C ALA A 74 7.549 -2.924 4.273 1.00 0.00 C ATOM 1064 O ALA A 74 6.365 -2.599 4.345 1.00 0.00 O ATOM 1065 CB ALA A 74 8.243 -5.007 3.075 1.00 0.00 C ATOM 0 H ALA A 74 5.997 -4.929 4.878 1.00 0.00 H new ATOM 0 HA ALA A 74 8.888 -4.402 5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.003 -4.426 2.552 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.596 -6.029 3.210 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.325 -5.015 2.488 1.00 0.00 H new ATOM 1071 N MET A 75 8.527 -2.050 4.056 1.00 0.00 N ATOM 1072 CA MET A 75 8.256 -0.628 3.884 1.00 0.00 C ATOM 1073 C MET A 75 8.926 -0.096 2.621 1.00 0.00 C ATOM 1074 O MET A 75 10.134 0.145 2.602 1.00 0.00 O ATOM 1075 CB MET A 75 8.743 0.157 5.103 1.00 0.00 C ATOM 1076 CG MET A 75 8.507 1.655 4.996 1.00 0.00 C ATOM 1077 SD MET A 75 9.536 2.603 6.133 1.00 0.00 S ATOM 1078 CE MET A 75 10.931 2.995 5.080 1.00 0.00 C ATOM 0 H MET A 75 9.514 -2.302 3.995 1.00 0.00 H new ATOM 0 HA MET A 75 7.178 -0.498 3.785 1.00 0.00 H new ATOM 0 HB2 MET A 75 8.238 -0.219 5.993 1.00 0.00 H new ATOM 0 HB3 MET A 75 9.809 -0.026 5.240 1.00 0.00 H new ATOM 0 HG2 MET A 75 8.708 1.978 3.975 1.00 0.00 H new ATOM 0 HG3 MET A 75 7.457 1.869 5.198 1.00 0.00 H new ATOM 0 HE1 MET A 75 11.570 3.724 5.579 1.00 0.00 H new ATOM 0 HE2 MET A 75 11.502 2.088 4.880 1.00 0.00 H new ATOM 0 HE3 MET A 75 10.571 3.411 4.139 1.00 0.00 H new ATOM 1088 N TYR A 76 8.136 0.086 1.569 1.00 0.00 N ATOM 1089 CA TYR A 76 8.654 0.587 0.302 1.00 0.00 C ATOM 1090 C TYR A 76 8.386 2.082 0.156 1.00 0.00 C ATOM 1091 O TYR A 76 7.264 2.547 0.362 1.00 0.00 O ATOM 1092 CB TYR A 76 8.023 -0.171 -0.867 1.00 0.00 C ATOM 1093 CG TYR A 76 7.953 -1.666 -0.652 1.00 0.00 C ATOM 1094 CD1 TYR A 76 6.875 -2.243 0.009 1.00 0.00 C ATOM 1095 CD2 TYR A 76 8.966 -2.502 -1.107 1.00 0.00 C ATOM 1096 CE1 TYR A 76 6.808 -3.609 0.208 1.00 0.00 C ATOM 1097 CE2 TYR A 76 8.906 -3.868 -0.914 1.00 0.00 C ATOM 1098 CZ TYR A 76 7.825 -4.417 -0.255 1.00 0.00 C ATOM 1099 OH TYR A 76 7.762 -5.777 -0.058 1.00 0.00 O ATOM 0 H TYR A 76 7.134 -0.106 1.569 1.00 0.00 H new ATOM 0 HA TYR A 76 9.732 0.426 0.291 1.00 0.00 H new ATOM 0 HB2 TYR A 76 7.016 0.211 -1.036 1.00 0.00 H new ATOM 0 HB3 TYR A 76 8.596 0.031 -1.772 1.00 0.00 H new ATOM 0 HD1 TYR A 76 6.077 -1.613 0.373 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.815 -2.076 -1.621 1.00 0.00 H new ATOM 0 HE1 TYR A 76 5.963 -4.041 0.724 1.00 0.00 H new ATOM 0 HE2 TYR A 76 9.701 -4.503 -1.277 1.00 0.00 H new ATOM 0 HH TYR A 76 8.556 -6.201 -0.446 1.00 0.00 H new ATOM 1109 N VAL A 77 9.425 2.831 -0.200 1.00 0.00 N ATOM 1110 CA VAL A 77 9.303 4.273 -0.375 1.00 0.00 C ATOM 1111 C VAL A 77 8.904 4.622 -1.805 1.00 0.00 C ATOM 1112 O VAL A 77 9.262 3.918 -2.749 1.00 0.00 O ATOM 1113 CB VAL A 77 10.620 4.994 -0.031 1.00 0.00 C ATOM 1114 CG1 VAL A 77 10.494 6.488 -0.287 1.00 0.00 C ATOM 1115 CG2 VAL A 77 11.013 4.723 1.413 1.00 0.00 C ATOM 0 H VAL A 77 10.360 2.463 -0.373 1.00 0.00 H new ATOM 0 HA VAL A 77 8.524 4.609 0.309 1.00 0.00 H new ATOM 0 HB VAL A 77 11.407 4.605 -0.677 1.00 0.00 H new ATOM 0 HG11 VAL A 77 11.434 6.980 -0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.262 6.659 -1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.695 6.897 0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 77 11.946 5.240 1.639 1.00 0.00 H new ATOM 0 HG22 VAL A 77 10.228 5.083 2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 77 11.148 3.651 1.558 1.00 0.00 H new ATOM 1125 N ASN A 78 8.161 5.713 -1.957 1.00 0.00 N ATOM 1126 CA ASN A 78 7.713 6.155 -3.273 1.00 0.00 C ATOM 1127 C ASN A 78 7.429 4.963 -4.180 1.00 0.00 C ATOM 1128 O ASN A 78 7.720 4.995 -5.377 1.00 0.00 O ATOM 1129 CB ASN A 78 8.767 7.060 -3.916 1.00 0.00 C ATOM 1130 CG ASN A 78 8.190 7.926 -5.019 1.00 0.00 C ATOM 1131 OD1 ASN A 78 7.177 7.581 -5.629 1.00 0.00 O ATOM 1132 ND2 ASN A 78 8.833 9.058 -5.280 1.00 0.00 N ATOM 0 H ASN A 78 7.856 6.307 -1.186 1.00 0.00 H new ATOM 0 HA ASN A 78 6.789 6.719 -3.144 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.210 7.698 -3.151 1.00 0.00 H new ATOM 0 HB3 ASN A 78 9.570 6.446 -4.323 1.00 0.00 H new ATOM 0 HD21 ASN A 78 8.491 9.682 -6.011 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.669 9.304 -4.749 1.00 0.00 H new ATOM 1139 N LEU A 79 6.858 3.911 -3.604 1.00 0.00 N ATOM 1140 CA LEU A 79 6.533 2.706 -4.360 1.00 0.00 C ATOM 1141 C LEU A 79 5.974 3.061 -5.734 1.00 0.00 C ATOM 1142 O LEU A 79 6.284 2.407 -6.731 1.00 0.00 O ATOM 1143 CB LEU A 79 5.523 1.854 -3.590 1.00 0.00 C ATOM 1144 CG LEU A 79 5.272 0.449 -4.140 1.00 0.00 C ATOM 1145 CD1 LEU A 79 6.533 -0.395 -4.043 1.00 0.00 C ATOM 1146 CD2 LEU A 79 4.123 -0.217 -3.398 1.00 0.00 C ATOM 0 H LEU A 79 6.610 3.868 -2.615 1.00 0.00 H new ATOM 0 HA LEU A 79 7.450 2.134 -4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.866 1.763 -2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.573 2.387 -3.564 1.00 0.00 H new ATOM 0 HG LEU A 79 4.997 0.535 -5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.335 -1.391 -4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.330 0.074 -4.621 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.839 -0.473 -3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.959 -1.216 -3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.368 -0.291 -2.338 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.218 0.377 -3.520 1.00 0.00 H new ATOM 1158 N THR A 80 5.148 4.102 -5.781 1.00 0.00 N ATOM 1159 CA THR A 80 4.546 4.544 -7.032 1.00 0.00 C ATOM 1160 C THR A 80 5.614 4.888 -8.065 1.00 0.00 C ATOM 1161 O THR A 80 5.483 4.557 -9.243 1.00 0.00 O ATOM 1162 CB THR A 80 3.642 5.772 -6.817 1.00 0.00 C ATOM 1163 OG1 THR A 80 4.351 6.782 -6.091 1.00 0.00 O ATOM 1164 CG2 THR A 80 2.379 5.388 -6.061 1.00 0.00 C ATOM 0 H THR A 80 4.881 4.655 -4.966 1.00 0.00 H new ATOM 0 HA THR A 80 3.940 3.716 -7.401 1.00 0.00 H new ATOM 0 HB THR A 80 3.357 6.161 -7.794 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.769 7.560 -5.960 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.756 6.271 -5.921 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.827 4.641 -6.631 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.648 4.976 -5.088 1.00 0.00 H new ATOM 1172 N LEU A 81 6.672 5.555 -7.615 1.00 0.00 N ATOM 1173 CA LEU A 81 7.764 5.944 -8.500 1.00 0.00 C ATOM 1174 C LEU A 81 8.392 4.721 -9.160 1.00 0.00 C ATOM 1175 O LEU A 81 8.626 4.704 -10.369 1.00 0.00 O ATOM 1176 CB LEU A 81 8.827 6.720 -7.720 1.00 0.00 C ATOM 1177 CG LEU A 81 10.150 6.960 -8.448 1.00 0.00 C ATOM 1178 CD1 LEU A 81 10.802 8.244 -7.959 1.00 0.00 C ATOM 1179 CD2 LEU A 81 11.088 5.777 -8.255 1.00 0.00 C ATOM 0 H LEU A 81 6.796 5.837 -6.643 1.00 0.00 H new ATOM 0 HA LEU A 81 7.355 6.585 -9.281 1.00 0.00 H new ATOM 0 HB2 LEU A 81 8.409 7.687 -7.439 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.036 6.182 -6.796 1.00 0.00 H new ATOM 0 HG LEU A 81 9.943 7.064 -9.513 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.742 8.399 -8.488 1.00 0.00 H new ATOM 0 HD12 LEU A 81 10.136 9.086 -8.149 1.00 0.00 H new ATOM 0 HD13 LEU A 81 10.996 8.169 -6.889 1.00 0.00 H new ATOM 0 HD21 LEU A 81 12.024 5.966 -8.780 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.289 5.642 -7.192 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.623 4.875 -8.654 1.00 0.00 H new ATOM 1191 N THR A 82 8.662 3.695 -8.358 1.00 0.00 N ATOM 1192 CA THR A 82 9.262 2.467 -8.863 1.00 0.00 C ATOM 1193 C THR A 82 8.349 1.786 -9.877 1.00 0.00 C ATOM 1194 O THR A 82 8.816 1.094 -10.781 1.00 0.00 O ATOM 1195 CB THR A 82 9.568 1.480 -7.721 1.00 0.00 C ATOM 1196 OG1 THR A 82 8.360 1.136 -7.033 1.00 0.00 O ATOM 1197 CG2 THR A 82 10.563 2.080 -6.739 1.00 0.00 C ATOM 0 H THR A 82 8.474 3.691 -7.355 1.00 0.00 H new ATOM 0 HA THR A 82 10.196 2.748 -9.350 1.00 0.00 H new ATOM 0 HB THR A 82 10.007 0.582 -8.155 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.752 1.905 -7.035 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.764 1.365 -5.941 1.00 0.00 H new ATOM 0 HG22 THR A 82 11.492 2.313 -7.259 1.00 0.00 H new ATOM 0 HG23 THR A 82 10.147 2.993 -6.312 1.00 0.00 H new ATOM 1205 N GLY A 83 7.044 1.987 -9.720 1.00 0.00 N ATOM 1206 CA GLY A 83 6.087 1.385 -10.630 1.00 0.00 C ATOM 1207 C GLY A 83 6.283 -0.111 -10.773 1.00 0.00 C ATOM 1208 O GLY A 83 6.260 -0.643 -11.882 1.00 0.00 O ATOM 0 H GLY A 83 6.633 2.555 -8.980 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.077 1.583 -10.273 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.177 1.855 -11.609 1.00 0.00 H new ATOM 1212 N GLU A 84 6.478 -0.791 -9.647 1.00 0.00 N ATOM 1213 CA GLU A 84 6.682 -2.234 -9.653 1.00 0.00 C ATOM 1214 C GLU A 84 5.644 -2.934 -8.780 1.00 0.00 C ATOM 1215 O GLU A 84 5.329 -2.495 -7.674 1.00 0.00 O ATOM 1216 CB GLU A 84 8.091 -2.575 -9.161 1.00 0.00 C ATOM 1217 CG GLU A 84 9.160 -2.432 -10.232 1.00 0.00 C ATOM 1218 CD GLU A 84 9.149 -3.579 -11.224 1.00 0.00 C ATOM 1219 OE1 GLU A 84 8.232 -3.620 -12.071 1.00 0.00 O ATOM 1220 OE2 GLU A 84 10.056 -4.434 -11.153 1.00 0.00 O ATOM 0 H GLU A 84 6.499 -0.366 -8.720 1.00 0.00 H new ATOM 0 HA GLU A 84 6.567 -2.587 -10.678 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.341 -1.926 -8.321 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.098 -3.599 -8.786 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.011 -1.493 -10.766 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.140 -2.377 -9.757 1.00 0.00 H new ATOM 1227 N PRO A 85 5.100 -4.049 -9.288 1.00 0.00 N ATOM 1228 CA PRO A 85 4.089 -4.834 -8.573 1.00 0.00 C ATOM 1229 C PRO A 85 4.667 -5.552 -7.358 1.00 0.00 C ATOM 1230 O PRO A 85 5.884 -5.676 -7.219 1.00 0.00 O ATOM 1231 CB PRO A 85 3.620 -5.847 -9.620 1.00 0.00 C ATOM 1232 CG PRO A 85 4.768 -5.981 -10.559 1.00 0.00 C ATOM 1233 CD PRO A 85 5.428 -4.631 -10.601 1.00 0.00 C ATOM 0 HA PRO A 85 3.289 -4.207 -8.179 1.00 0.00 H new ATOM 0 HB2 PRO A 85 3.370 -6.804 -9.161 1.00 0.00 H new ATOM 0 HB3 PRO A 85 2.726 -5.498 -10.136 1.00 0.00 H new ATOM 0 HG2 PRO A 85 5.465 -6.746 -10.216 1.00 0.00 H new ATOM 0 HG3 PRO A 85 4.428 -6.280 -11.551 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.505 -4.715 -10.746 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.043 -4.021 -11.418 1.00 0.00 H new ATOM 1241 N ILE A 86 3.786 -6.024 -6.481 1.00 0.00 N ATOM 1242 CA ILE A 86 4.209 -6.731 -5.279 1.00 0.00 C ATOM 1243 C ILE A 86 3.683 -8.162 -5.269 1.00 0.00 C ATOM 1244 O ILE A 86 2.544 -8.413 -4.876 1.00 0.00 O ATOM 1245 CB ILE A 86 3.731 -6.011 -4.004 1.00 0.00 C ATOM 1246 CG1 ILE A 86 4.444 -4.666 -3.854 1.00 0.00 C ATOM 1247 CG2 ILE A 86 3.971 -6.884 -2.782 1.00 0.00 C ATOM 1248 CD1 ILE A 86 3.657 -3.651 -3.056 1.00 0.00 C ATOM 0 H ILE A 86 2.775 -5.929 -6.581 1.00 0.00 H new ATOM 0 HA ILE A 86 5.299 -6.747 -5.290 1.00 0.00 H new ATOM 0 HB ILE A 86 2.660 -5.825 -4.089 1.00 0.00 H new ATOM 0 HG12 ILE A 86 5.408 -4.827 -3.372 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.647 -4.259 -4.845 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.628 -6.362 -1.889 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.421 -7.819 -2.889 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.036 -7.098 -2.691 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.223 -2.722 -2.990 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.703 -3.461 -3.549 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.476 -4.038 -2.053 1.00 0.00 H new ATOM 1260 N ARG A 87 4.521 -9.098 -5.703 1.00 0.00 N ATOM 1261 CA ARG A 87 4.141 -10.505 -5.743 1.00 0.00 C ATOM 1262 C ARG A 87 4.383 -11.173 -4.393 1.00 0.00 C ATOM 1263 O ARG A 87 5.376 -10.894 -3.720 1.00 0.00 O ATOM 1264 CB ARG A 87 4.925 -11.236 -6.834 1.00 0.00 C ATOM 1265 CG ARG A 87 6.345 -11.596 -6.427 1.00 0.00 C ATOM 1266 CD ARG A 87 7.273 -11.653 -7.630 1.00 0.00 C ATOM 1267 NE ARG A 87 8.663 -11.869 -7.239 1.00 0.00 N ATOM 1268 CZ ARG A 87 9.696 -11.650 -8.046 1.00 0.00 C ATOM 1269 NH1 ARG A 87 9.495 -11.210 -9.280 1.00 0.00 N ATOM 1270 NH2 ARG A 87 10.932 -11.870 -7.618 1.00 0.00 N ATOM 0 H ARG A 87 5.468 -8.907 -6.032 1.00 0.00 H new ATOM 0 HA ARG A 87 3.076 -10.561 -5.970 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.392 -12.147 -7.104 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.959 -10.610 -7.726 1.00 0.00 H new ATOM 0 HG2 ARG A 87 6.717 -10.861 -5.714 1.00 0.00 H new ATOM 0 HG3 ARG A 87 6.346 -12.561 -5.920 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.955 -12.455 -8.296 1.00 0.00 H new ATOM 0 HD3 ARG A 87 7.195 -10.723 -8.192 1.00 0.00 H new ATOM 0 HE ARG A 87 8.852 -12.206 -6.295 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.546 -11.039 -9.612 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.289 -11.043 -9.897 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.090 -12.208 -6.669 1.00 0.00 H new ATOM 0 HH22 ARG A 87 11.724 -11.702 -8.238 1.00 0.00 H new ATOM 1284 N HIS A 88 3.469 -12.055 -4.003 1.00 0.00 N ATOM 1285 CA HIS A 88 3.583 -12.763 -2.732 1.00 0.00 C ATOM 1286 C HIS A 88 2.804 -14.075 -2.769 1.00 0.00 C ATOM 1287 O HIS A 88 1.677 -14.124 -3.263 1.00 0.00 O ATOM 1288 CB HIS A 88 3.075 -11.886 -1.588 1.00 0.00 C ATOM 1289 CG HIS A 88 3.153 -12.547 -0.246 1.00 0.00 C ATOM 1290 ND1 HIS A 88 4.081 -12.199 0.712 1.00 0.00 N ATOM 1291 CD2 HIS A 88 2.410 -13.540 0.296 1.00 0.00 C ATOM 1292 CE1 HIS A 88 3.907 -12.950 1.784 1.00 0.00 C ATOM 1293 NE2 HIS A 88 2.899 -13.772 1.558 1.00 0.00 N ATOM 0 H HIS A 88 2.641 -12.297 -4.548 1.00 0.00 H new ATOM 0 HA HIS A 88 4.636 -12.991 -2.564 1.00 0.00 H new ATOM 0 HB2 HIS A 88 3.655 -10.963 -1.564 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.040 -11.607 -1.787 1.00 0.00 H new ATOM 0 HD2 HIS A 88 1.586 -14.054 -0.176 1.00 0.00 H new ATOM 0 HE1 HIS A 88 4.490 -12.900 2.692 1.00 0.00 H new ATOM 0 HE2 HIS A 88 2.542 -14.466 2.214 1.00 0.00 H new ATOM 1302 N ARG A 89 3.412 -15.134 -2.244 1.00 0.00 N ATOM 1303 CA ARG A 89 2.776 -16.445 -2.219 1.00 0.00 C ATOM 1304 C ARG A 89 2.210 -16.748 -0.835 1.00 0.00 C ATOM 1305 O ARG A 89 2.861 -16.502 0.181 1.00 0.00 O ATOM 1306 CB ARG A 89 3.778 -17.529 -2.621 1.00 0.00 C ATOM 1307 CG ARG A 89 3.331 -18.936 -2.258 1.00 0.00 C ATOM 1308 CD ARG A 89 3.819 -19.335 -0.874 1.00 0.00 C ATOM 1309 NE ARG A 89 5.268 -19.515 -0.835 1.00 0.00 N ATOM 1310 CZ ARG A 89 5.903 -20.502 -1.457 1.00 0.00 C ATOM 1311 NH1 ARG A 89 5.220 -21.393 -2.163 1.00 0.00 N ATOM 1312 NH2 ARG A 89 7.224 -20.599 -1.375 1.00 0.00 N ATOM 0 H ARG A 89 4.344 -15.109 -1.830 1.00 0.00 H new ATOM 0 HA ARG A 89 1.954 -16.436 -2.935 1.00 0.00 H new ATOM 0 HB2 ARG A 89 3.945 -17.476 -3.697 1.00 0.00 H new ATOM 0 HB3 ARG A 89 4.734 -17.325 -2.139 1.00 0.00 H new ATOM 0 HG2 ARG A 89 2.243 -18.994 -2.292 1.00 0.00 H new ATOM 0 HG3 ARG A 89 3.711 -19.642 -2.997 1.00 0.00 H new ATOM 0 HD2 ARG A 89 3.529 -18.570 -0.153 1.00 0.00 H new ATOM 0 HD3 ARG A 89 3.330 -20.261 -0.570 1.00 0.00 H new ATOM 0 HE ARG A 89 5.823 -18.846 -0.301 1.00 0.00 H new ATOM 0 HH11 ARG A 89 4.205 -21.321 -2.229 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.710 -22.150 -2.640 1.00 0.00 H new ATOM 0 HH21 ARG A 89 7.753 -19.915 -0.834 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.710 -21.357 -1.853 1.00 0.00 H new ATOM 1326 N TYR A 90 0.994 -17.283 -0.803 1.00 0.00 N ATOM 1327 CA TYR A 90 0.339 -17.617 0.456 1.00 0.00 C ATOM 1328 C TYR A 90 0.714 -19.025 0.909 1.00 0.00 C ATOM 1329 O TYR A 90 1.297 -19.798 0.149 1.00 0.00 O ATOM 1330 CB TYR A 90 -1.179 -17.504 0.311 1.00 0.00 C ATOM 1331 CG TYR A 90 -1.704 -16.100 0.510 1.00 0.00 C ATOM 1332 CD1 TYR A 90 -1.377 -15.370 1.646 1.00 0.00 C ATOM 1333 CD2 TYR A 90 -2.526 -15.503 -0.438 1.00 0.00 C ATOM 1334 CE1 TYR A 90 -1.854 -14.087 1.832 1.00 0.00 C ATOM 1335 CE2 TYR A 90 -3.007 -14.220 -0.261 1.00 0.00 C ATOM 1336 CZ TYR A 90 -2.669 -13.517 0.876 1.00 0.00 C ATOM 1337 OH TYR A 90 -3.145 -12.238 1.058 1.00 0.00 O ATOM 0 H TYR A 90 0.442 -17.494 -1.635 1.00 0.00 H new ATOM 0 HA TYR A 90 0.679 -16.909 1.212 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.468 -17.854 -0.680 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.655 -18.167 1.034 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -0.739 -15.813 2.396 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.794 -16.052 -1.329 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.590 -13.533 2.721 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.644 -13.770 -1.009 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.704 -11.985 0.294 1.00 0.00 H new ATOM 1347 N GLU A 91 0.375 -19.350 2.152 1.00 0.00 N ATOM 1348 CA GLU A 91 0.676 -20.664 2.707 1.00 0.00 C ATOM 1349 C GLU A 91 -0.592 -21.502 2.841 1.00 0.00 C ATOM 1350 O GLU A 91 -0.677 -22.609 2.310 1.00 0.00 O ATOM 1351 CB GLU A 91 1.354 -20.523 4.072 1.00 0.00 C ATOM 1352 CG GLU A 91 2.775 -19.991 3.993 1.00 0.00 C ATOM 1353 CD GLU A 91 3.636 -20.454 5.153 1.00 0.00 C ATOM 1354 OE1 GLU A 91 3.856 -21.676 5.279 1.00 0.00 O ATOM 1355 OE2 GLU A 91 4.090 -19.591 5.934 1.00 0.00 O ATOM 0 H GLU A 91 -0.108 -18.722 2.794 1.00 0.00 H new ATOM 0 HA GLU A 91 1.356 -21.172 2.022 1.00 0.00 H new ATOM 0 HB2 GLU A 91 0.759 -19.856 4.697 1.00 0.00 H new ATOM 0 HB3 GLU A 91 1.366 -21.495 4.565 1.00 0.00 H new ATOM 0 HG2 GLU A 91 3.229 -20.315 3.056 1.00 0.00 H new ATOM 0 HG3 GLU A 91 2.751 -18.901 3.975 1.00 0.00 H new ATOM 1362 N SER A 92 -1.576 -20.965 3.555 1.00 0.00 N ATOM 1363 CA SER A 92 -2.839 -21.664 3.764 1.00 0.00 C ATOM 1364 C SER A 92 -3.994 -20.902 3.121 1.00 0.00 C ATOM 1365 O SER A 92 -3.933 -19.690 2.915 1.00 0.00 O ATOM 1366 CB SER A 92 -3.104 -21.847 5.259 1.00 0.00 C ATOM 1367 OG SER A 92 -2.536 -23.056 5.733 1.00 0.00 O ATOM 0 H SER A 92 -1.523 -20.048 3.999 1.00 0.00 H new ATOM 0 HA SER A 92 -2.766 -22.644 3.293 1.00 0.00 H new ATOM 0 HB2 SER A 92 -2.687 -21.005 5.811 1.00 0.00 H new ATOM 0 HB3 SER A 92 -4.178 -21.849 5.444 1.00 0.00 H new ATOM 0 HG SER A 92 -2.718 -23.149 6.692 1.00 0.00 H new ATOM 1373 N PRO A 93 -5.073 -21.629 2.796 1.00 0.00 N ATOM 1374 CA PRO A 93 -6.264 -21.044 2.172 1.00 0.00 C ATOM 1375 C PRO A 93 -7.037 -20.144 3.130 1.00 0.00 C ATOM 1376 O PRO A 93 -6.815 -20.173 4.340 1.00 0.00 O ATOM 1377 CB PRO A 93 -7.102 -22.267 1.792 1.00 0.00 C ATOM 1378 CG PRO A 93 -6.672 -23.331 2.741 1.00 0.00 C ATOM 1379 CD PRO A 93 -5.214 -23.079 3.013 1.00 0.00 C ATOM 0 HA PRO A 93 -6.010 -20.406 1.326 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.168 -22.061 1.885 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -6.924 -22.563 0.758 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.253 -23.291 3.662 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.823 -24.321 2.312 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.940 -23.362 4.029 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.575 -23.650 2.340 1.00 0.00 H new ATOM 1387 N GLY A 94 -7.947 -19.346 2.580 1.00 0.00 N ATOM 1388 CA GLY A 94 -8.740 -18.449 3.401 1.00 0.00 C ATOM 1389 C GLY A 94 -8.527 -16.992 3.040 1.00 0.00 C ATOM 1390 O GLY A 94 -7.401 -16.570 2.774 1.00 0.00 O ATOM 0 H GLY A 94 -8.149 -19.304 1.581 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.796 -18.697 3.290 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -8.486 -18.601 4.450 1.00 0.00 H new ATOM 1394 N ILE A 95 -9.610 -16.223 3.029 1.00 0.00 N ATOM 1395 CA ILE A 95 -9.536 -14.805 2.697 1.00 0.00 C ATOM 1396 C ILE A 95 -8.468 -14.102 3.528 1.00 0.00 C ATOM 1397 O ILE A 95 -8.402 -14.271 4.745 1.00 0.00 O ATOM 1398 CB ILE A 95 -10.888 -14.104 2.920 1.00 0.00 C ATOM 1399 CG1 ILE A 95 -11.902 -14.555 1.866 1.00 0.00 C ATOM 1400 CG2 ILE A 95 -10.714 -12.593 2.882 1.00 0.00 C ATOM 1401 CD1 ILE A 95 -12.528 -15.898 2.167 1.00 0.00 C ATOM 0 H ILE A 95 -10.549 -16.557 3.246 1.00 0.00 H new ATOM 0 HA ILE A 95 -9.273 -14.741 1.641 1.00 0.00 H new ATOM 0 HB ILE A 95 -11.266 -14.382 3.904 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -12.689 -13.806 1.787 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.408 -14.602 0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -11.679 -12.112 3.041 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -10.022 -12.287 3.666 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -10.317 -12.297 1.911 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -13.236 -16.154 1.379 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -11.750 -16.659 2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -13.050 -15.850 3.122 1.00 0.00 H new ATOM 1413 N TYR A 96 -7.634 -13.311 2.861 1.00 0.00 N ATOM 1414 CA TYR A 96 -6.568 -12.581 3.537 1.00 0.00 C ATOM 1415 C TYR A 96 -6.930 -11.107 3.692 1.00 0.00 C ATOM 1416 O TYR A 96 -7.766 -10.581 2.956 1.00 0.00 O ATOM 1417 CB TYR A 96 -5.257 -12.718 2.762 1.00 0.00 C ATOM 1418 CG TYR A 96 -4.563 -14.044 2.973 1.00 0.00 C ATOM 1419 CD1 TYR A 96 -4.911 -15.160 2.222 1.00 0.00 C ATOM 1420 CD2 TYR A 96 -3.559 -14.182 3.924 1.00 0.00 C ATOM 1421 CE1 TYR A 96 -4.281 -16.374 2.413 1.00 0.00 C ATOM 1422 CE2 TYR A 96 -2.922 -15.392 4.121 1.00 0.00 C ATOM 1423 CZ TYR A 96 -3.287 -16.485 3.363 1.00 0.00 C ATOM 1424 OH TYR A 96 -2.656 -17.693 3.555 1.00 0.00 O ATOM 0 H TYR A 96 -7.676 -13.159 1.853 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.441 -13.011 4.531 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.458 -12.588 1.699 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.584 -11.914 3.059 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -5.688 -15.077 1.476 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -3.272 -13.328 4.520 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -4.565 -17.232 1.822 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -2.143 -15.481 4.864 1.00 0.00 H new ATOM 0 HH TYR A 96 -3.019 -18.355 2.930 1.00 0.00 H new ATOM 1434 N ARG A 97 -6.293 -10.446 4.653 1.00 0.00 N ATOM 1435 CA ARG A 97 -6.547 -9.033 4.905 1.00 0.00 C ATOM 1436 C ARG A 97 -5.320 -8.191 4.569 1.00 0.00 C ATOM 1437 O ARG A 97 -4.349 -8.160 5.326 1.00 0.00 O ATOM 1438 CB ARG A 97 -6.942 -8.817 6.367 1.00 0.00 C ATOM 1439 CG ARG A 97 -8.428 -8.996 6.630 1.00 0.00 C ATOM 1440 CD ARG A 97 -8.823 -8.453 7.994 1.00 0.00 C ATOM 1441 NE ARG A 97 -8.000 -9.011 9.064 1.00 0.00 N ATOM 1442 CZ ARG A 97 -8.261 -8.843 10.356 1.00 0.00 C ATOM 1443 NH1 ARG A 97 -9.318 -8.137 10.735 1.00 0.00 N ATOM 1444 NH2 ARG A 97 -7.466 -9.382 11.270 1.00 0.00 N ATOM 0 H ARG A 97 -5.598 -10.866 5.270 1.00 0.00 H new ATOM 0 HA ARG A 97 -7.369 -8.718 4.263 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.385 -9.515 6.992 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.647 -7.812 6.670 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -9.000 -8.486 5.855 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.684 -10.054 6.570 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -8.729 -7.367 7.993 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -9.871 -8.682 8.186 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.180 -9.560 8.805 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -9.932 -7.722 10.034 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -9.517 -8.009 11.727 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -6.653 -9.926 10.982 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -7.667 -9.252 12.261 1.00 0.00 H new ATOM 1458 N VAL A 98 -5.369 -7.511 3.428 1.00 0.00 N ATOM 1459 CA VAL A 98 -4.262 -6.668 2.992 1.00 0.00 C ATOM 1460 C VAL A 98 -4.529 -5.201 3.310 1.00 0.00 C ATOM 1461 O VAL A 98 -5.656 -4.723 3.184 1.00 0.00 O ATOM 1462 CB VAL A 98 -4.006 -6.816 1.480 1.00 0.00 C ATOM 1463 CG1 VAL A 98 -2.890 -5.885 1.034 1.00 0.00 C ATOM 1464 CG2 VAL A 98 -3.677 -8.261 1.135 1.00 0.00 C ATOM 0 H VAL A 98 -6.164 -7.527 2.789 1.00 0.00 H new ATOM 0 HA VAL A 98 -3.378 -6.999 3.537 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.914 -6.537 0.946 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.723 -6.004 -0.037 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.171 -4.853 1.246 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.975 -6.130 1.573 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -3.499 -8.348 0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -2.784 -8.570 1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.513 -8.902 1.417 1.00 0.00 H new ATOM 1474 N SER A 99 -3.483 -4.492 3.723 1.00 0.00 N ATOM 1475 CA SER A 99 -3.605 -3.079 4.063 1.00 0.00 C ATOM 1476 C SER A 99 -2.423 -2.284 3.514 1.00 0.00 C ATOM 1477 O SER A 99 -1.360 -2.841 3.240 1.00 0.00 O ATOM 1478 CB SER A 99 -3.692 -2.903 5.580 1.00 0.00 C ATOM 1479 OG SER A 99 -2.403 -2.764 6.152 1.00 0.00 O ATOM 0 H SER A 99 -2.543 -4.872 3.830 1.00 0.00 H new ATOM 0 HA SER A 99 -4.519 -2.699 3.608 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.294 -2.024 5.813 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.198 -3.762 6.020 1.00 0.00 H new ATOM 0 HG SER A 99 -2.486 -2.651 7.122 1.00 0.00 H new ATOM 1485 N VAL A 100 -2.618 -0.979 3.358 1.00 0.00 N ATOM 1486 CA VAL A 100 -1.569 -0.106 2.843 1.00 0.00 C ATOM 1487 C VAL A 100 -1.662 1.286 3.458 1.00 0.00 C ATOM 1488 O VAL A 100 -2.604 2.032 3.191 1.00 0.00 O ATOM 1489 CB VAL A 100 -1.642 0.016 1.310 1.00 0.00 C ATOM 1490 CG1 VAL A 100 -2.885 0.788 0.894 1.00 0.00 C ATOM 1491 CG2 VAL A 100 -0.385 0.680 0.768 1.00 0.00 C ATOM 0 H VAL A 100 -3.492 -0.503 3.581 1.00 0.00 H new ATOM 0 HA VAL A 100 -0.617 -0.559 3.118 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.707 -0.986 0.886 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.919 0.864 -0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.773 0.266 1.250 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.854 1.788 1.327 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.454 0.758 -0.317 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.286 1.677 1.198 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.486 0.082 1.034 1.00 0.00 H new ATOM 1501 N ARG A 101 -0.678 1.630 4.282 1.00 0.00 N ATOM 1502 CA ARG A 101 -0.649 2.933 4.936 1.00 0.00 C ATOM 1503 C ARG A 101 0.228 3.911 4.160 1.00 0.00 C ATOM 1504 O ARG A 101 1.176 3.509 3.486 1.00 0.00 O ATOM 1505 CB ARG A 101 -0.133 2.796 6.370 1.00 0.00 C ATOM 1506 CG ARG A 101 -0.367 4.033 7.221 1.00 0.00 C ATOM 1507 CD ARG A 101 0.708 4.188 8.285 1.00 0.00 C ATOM 1508 NE ARG A 101 0.776 3.026 9.168 1.00 0.00 N ATOM 1509 CZ ARG A 101 1.269 3.068 10.401 1.00 0.00 C ATOM 1510 NH1 ARG A 101 1.734 4.207 10.895 1.00 0.00 N ATOM 1511 NH2 ARG A 101 1.297 1.968 11.143 1.00 0.00 N ATOM 0 H ARG A 101 0.110 1.025 4.513 1.00 0.00 H new ATOM 0 HA ARG A 101 -1.667 3.323 4.959 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -0.620 1.943 6.842 1.00 0.00 H new ATOM 0 HB3 ARG A 101 0.935 2.580 6.344 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -0.380 4.917 6.584 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.345 3.969 7.697 1.00 0.00 H new ATOM 0 HD2 ARG A 101 1.675 4.335 7.804 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.507 5.081 8.876 1.00 0.00 H new ATOM 0 HE ARG A 101 0.426 2.134 8.819 1.00 0.00 H new ATOM 0 HH11 ARG A 101 1.714 5.055 10.328 1.00 0.00 H new ATOM 0 HH12 ARG A 101 2.112 4.236 11.842 1.00 0.00 H new ATOM 0 HH21 ARG A 101 0.940 1.090 10.767 1.00 0.00 H new ATOM 0 HH22 ARG A 101 1.676 2.001 12.090 1.00 0.00 H new ATOM 1525 N ALA A 102 -0.096 5.196 4.260 1.00 0.00 N ATOM 1526 CA ALA A 102 0.663 6.231 3.569 1.00 0.00 C ATOM 1527 C ALA A 102 0.555 7.567 4.295 1.00 0.00 C ATOM 1528 O ALA A 102 -0.539 8.004 4.651 1.00 0.00 O ATOM 1529 CB ALA A 102 0.181 6.369 2.132 1.00 0.00 C ATOM 0 H ALA A 102 -0.879 5.545 4.813 1.00 0.00 H new ATOM 0 HA ALA A 102 1.712 5.934 3.562 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.757 7.145 1.628 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.316 5.421 1.610 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -0.875 6.639 2.127 1.00 0.00 H new ATOM 1535 N GLU A 103 1.698 8.211 4.513 1.00 0.00 N ATOM 1536 CA GLU A 103 1.731 9.497 5.199 1.00 0.00 C ATOM 1537 C GLU A 103 2.916 10.335 4.728 1.00 0.00 C ATOM 1538 O GLU A 103 4.060 10.072 5.094 1.00 0.00 O ATOM 1539 CB GLU A 103 1.808 9.291 6.713 1.00 0.00 C ATOM 1540 CG GLU A 103 1.307 10.480 7.516 1.00 0.00 C ATOM 1541 CD GLU A 103 1.291 10.211 9.008 1.00 0.00 C ATOM 1542 OE1 GLU A 103 2.370 10.267 9.633 1.00 0.00 O ATOM 1543 OE2 GLU A 103 0.197 9.946 9.550 1.00 0.00 O ATOM 0 H GLU A 103 2.612 7.863 4.224 1.00 0.00 H new ATOM 0 HA GLU A 103 0.812 10.031 4.959 1.00 0.00 H new ATOM 0 HB2 GLU A 103 1.224 8.410 6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 103 2.842 9.085 6.991 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.940 11.344 7.313 1.00 0.00 H new ATOM 0 HG3 GLU A 103 0.301 10.738 7.186 1.00 0.00 H new ATOM 1550 N ASN A 104 2.632 11.345 3.912 1.00 0.00 N ATOM 1551 CA ASN A 104 3.673 12.222 3.389 1.00 0.00 C ATOM 1552 C ASN A 104 3.489 13.649 3.896 1.00 0.00 C ATOM 1553 O ASN A 104 2.393 14.040 4.300 1.00 0.00 O ATOM 1554 CB ASN A 104 3.661 12.207 1.859 1.00 0.00 C ATOM 1555 CG ASN A 104 4.800 13.011 1.264 1.00 0.00 C ATOM 1556 OD1 ASN A 104 4.620 14.163 0.866 1.00 0.00 O ATOM 1557 ND2 ASN A 104 5.981 12.407 1.199 1.00 0.00 N ATOM 0 H ASN A 104 1.689 11.576 3.599 1.00 0.00 H new ATOM 0 HA ASN A 104 4.635 11.852 3.742 1.00 0.00 H new ATOM 0 HB2 ASN A 104 3.725 11.177 1.508 1.00 0.00 H new ATOM 0 HB3 ASN A 104 2.712 12.607 1.502 1.00 0.00 H new ATOM 0 HD21 ASN A 104 6.784 12.899 0.807 1.00 0.00 H new ATOM 0 HD22 ASN A 104 6.085 11.452 1.541 1.00 0.00 H new ATOM 1564 N THR A 105 4.569 14.424 3.872 1.00 0.00 N ATOM 1565 CA THR A 105 4.527 15.807 4.329 1.00 0.00 C ATOM 1566 C THR A 105 3.289 16.523 3.803 1.00 0.00 C ATOM 1567 O THR A 105 2.725 17.384 4.477 1.00 0.00 O ATOM 1568 CB THR A 105 5.782 16.583 3.886 1.00 0.00 C ATOM 1569 OG1 THR A 105 5.922 16.516 2.463 1.00 0.00 O ATOM 1570 CG2 THR A 105 7.029 16.020 4.551 1.00 0.00 C ATOM 0 H THR A 105 5.484 14.117 3.541 1.00 0.00 H new ATOM 0 HA THR A 105 4.491 15.779 5.418 1.00 0.00 H new ATOM 0 HB THR A 105 5.666 17.623 4.190 1.00 0.00 H new ATOM 0 HG1 THR A 105 5.355 15.798 2.112 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.902 16.584 4.223 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.931 16.100 5.634 1.00 0.00 H new ATOM 0 HG23 THR A 105 7.148 14.973 4.273 1.00 0.00 H new ATOM 1578 N ALA A 106 2.870 16.161 2.595 1.00 0.00 N ATOM 1579 CA ALA A 106 1.696 16.768 1.979 1.00 0.00 C ATOM 1580 C ALA A 106 0.417 16.321 2.679 1.00 0.00 C ATOM 1581 O ALA A 106 -0.378 17.146 3.126 1.00 0.00 O ATOM 1582 CB ALA A 106 1.638 16.422 0.499 1.00 0.00 C ATOM 0 H ALA A 106 3.326 15.450 2.023 1.00 0.00 H new ATOM 0 HA ALA A 106 1.779 17.850 2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 106 0.757 16.882 0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 106 2.533 16.796 0.003 1.00 0.00 H new ATOM 0 HB3 ALA A 106 1.582 15.340 0.380 1.00 0.00 H new ATOM 1588 N GLY A 107 0.224 15.008 2.770 1.00 0.00 N ATOM 1589 CA GLY A 107 -0.961 14.475 3.416 1.00 0.00 C ATOM 1590 C GLY A 107 -0.797 13.024 3.820 1.00 0.00 C ATOM 1591 O GLY A 107 0.293 12.597 4.204 1.00 0.00 O ATOM 0 H GLY A 107 0.867 14.304 2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -1.189 15.071 4.299 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -1.812 14.567 2.741 1.00 0.00 H new ATOM 1595 N HIS A 108 -1.883 12.262 3.737 1.00 0.00 N ATOM 1596 CA HIS A 108 -1.856 10.849 4.098 1.00 0.00 C ATOM 1597 C HIS A 108 -2.988 10.090 3.412 1.00 0.00 C ATOM 1598 O HIS A 108 -3.938 10.693 2.911 1.00 0.00 O ATOM 1599 CB HIS A 108 -1.964 10.687 5.615 1.00 0.00 C ATOM 1600 CG HIS A 108 -3.374 10.574 6.106 1.00 0.00 C ATOM 1601 ND1 HIS A 108 -4.245 11.643 6.146 1.00 0.00 N ATOM 1602 CD2 HIS A 108 -4.065 9.511 6.579 1.00 0.00 C ATOM 1603 CE1 HIS A 108 -5.409 11.242 6.624 1.00 0.00 C ATOM 1604 NE2 HIS A 108 -5.327 9.952 6.893 1.00 0.00 N ATOM 0 H HIS A 108 -2.793 12.599 3.423 1.00 0.00 H new ATOM 0 HA HIS A 108 -0.907 10.432 3.761 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -1.410 9.798 5.918 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -1.487 11.540 6.098 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -3.693 8.503 6.689 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -6.280 11.864 6.770 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -6.079 9.377 7.272 1.00 0.00 H new ATOM 1613 N ASP A 109 -2.879 8.767 3.391 1.00 0.00 N ATOM 1614 CA ASP A 109 -3.893 7.926 2.767 1.00 0.00 C ATOM 1615 C ASP A 109 -3.743 6.473 3.209 1.00 0.00 C ATOM 1616 O ASP A 109 -2.704 6.081 3.737 1.00 0.00 O ATOM 1617 CB ASP A 109 -3.797 8.020 1.243 1.00 0.00 C ATOM 1618 CG ASP A 109 -5.122 7.742 0.561 1.00 0.00 C ATOM 1619 OD1 ASP A 109 -5.640 6.616 0.710 1.00 0.00 O ATOM 1620 OD2 ASP A 109 -5.640 8.649 -0.123 1.00 0.00 O ATOM 0 H ASP A 109 -2.098 8.253 3.799 1.00 0.00 H new ATOM 0 HA ASP A 109 -4.872 8.284 3.085 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.450 9.015 0.964 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.051 7.311 0.884 1.00 0.00 H new ATOM 1625 N GLU A 110 -4.789 5.682 2.990 1.00 0.00 N ATOM 1626 CA GLU A 110 -4.772 4.274 3.368 1.00 0.00 C ATOM 1627 C GLU A 110 -5.777 3.477 2.541 1.00 0.00 C ATOM 1628 O GLU A 110 -6.823 3.993 2.150 1.00 0.00 O ATOM 1629 CB GLU A 110 -5.085 4.119 4.858 1.00 0.00 C ATOM 1630 CG GLU A 110 -4.944 2.694 5.365 1.00 0.00 C ATOM 1631 CD GLU A 110 -5.365 2.546 6.814 1.00 0.00 C ATOM 1632 OE1 GLU A 110 -4.541 2.839 7.705 1.00 0.00 O ATOM 1633 OE2 GLU A 110 -6.520 2.137 7.057 1.00 0.00 O ATOM 0 H GLU A 110 -5.657 5.992 2.554 1.00 0.00 H new ATOM 0 HA GLU A 110 -3.774 3.883 3.171 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -4.420 4.766 5.429 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.102 4.463 5.045 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.548 2.031 4.746 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -3.907 2.375 5.257 1.00 0.00 H new ATOM 1640 N ALA A 111 -5.450 2.216 2.278 1.00 0.00 N ATOM 1641 CA ALA A 111 -6.323 1.347 1.499 1.00 0.00 C ATOM 1642 C ALA A 111 -6.303 -0.079 2.040 1.00 0.00 C ATOM 1643 O ALA A 111 -5.413 -0.451 2.805 1.00 0.00 O ATOM 1644 CB ALA A 111 -5.914 1.363 0.034 1.00 0.00 C ATOM 0 H ALA A 111 -4.587 1.774 2.593 1.00 0.00 H new ATOM 0 HA ALA A 111 -7.341 1.726 1.584 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.575 0.709 -0.535 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.987 2.379 -0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -4.887 1.012 -0.061 1.00 0.00 H new ATOM 1650 N VAL A 112 -7.289 -0.874 1.637 1.00 0.00 N ATOM 1651 CA VAL A 112 -7.384 -2.260 2.081 1.00 0.00 C ATOM 1652 C VAL A 112 -7.939 -3.153 0.978 1.00 0.00 C ATOM 1653 O VAL A 112 -8.951 -2.831 0.353 1.00 0.00 O ATOM 1654 CB VAL A 112 -8.277 -2.389 3.330 1.00 0.00 C ATOM 1655 CG1 VAL A 112 -8.435 -3.850 3.724 1.00 0.00 C ATOM 1656 CG2 VAL A 112 -7.703 -1.577 4.481 1.00 0.00 C ATOM 0 H VAL A 112 -8.033 -0.582 1.004 1.00 0.00 H new ATOM 0 HA VAL A 112 -6.373 -2.583 2.331 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.264 -1.992 3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -9.069 -3.922 4.608 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.894 -4.401 2.903 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -7.456 -4.275 3.944 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -8.346 -1.680 5.355 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -6.704 -1.942 4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -7.647 -0.527 4.193 1.00 0.00 H new ATOM 1666 N LEU A 113 -7.272 -4.278 0.743 1.00 0.00 N ATOM 1667 CA LEU A 113 -7.699 -5.220 -0.285 1.00 0.00 C ATOM 1668 C LEU A 113 -7.917 -6.610 0.306 1.00 0.00 C ATOM 1669 O LEU A 113 -7.049 -7.145 0.997 1.00 0.00 O ATOM 1670 CB LEU A 113 -6.660 -5.288 -1.406 1.00 0.00 C ATOM 1671 CG LEU A 113 -7.137 -5.891 -2.727 1.00 0.00 C ATOM 1672 CD1 LEU A 113 -6.323 -5.342 -3.889 1.00 0.00 C ATOM 1673 CD2 LEU A 113 -7.049 -7.410 -2.683 1.00 0.00 C ATOM 0 H LEU A 113 -6.433 -4.560 1.251 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.645 -4.867 -0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.298 -4.278 -1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -5.809 -5.869 -1.051 1.00 0.00 H new ATOM 0 HG LEU A 113 -8.180 -5.612 -2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -6.677 -5.782 -4.821 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -6.437 -4.259 -3.933 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.271 -5.591 -3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -7.393 -7.822 -3.632 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.015 -7.710 -2.510 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.676 -7.788 -1.875 1.00 0.00 H new ATOM 1685 N PHE A 114 -9.080 -7.189 0.029 1.00 0.00 N ATOM 1686 CA PHE A 114 -9.412 -8.517 0.532 1.00 0.00 C ATOM 1687 C PHE A 114 -9.202 -9.576 -0.546 1.00 0.00 C ATOM 1688 O PHE A 114 -9.954 -9.646 -1.518 1.00 0.00 O ATOM 1689 CB PHE A 114 -10.861 -8.552 1.022 1.00 0.00 C ATOM 1690 CG PHE A 114 -11.024 -8.102 2.446 1.00 0.00 C ATOM 1691 CD1 PHE A 114 -10.934 -9.011 3.488 1.00 0.00 C ATOM 1692 CD2 PHE A 114 -11.265 -6.770 2.742 1.00 0.00 C ATOM 1693 CE1 PHE A 114 -11.084 -8.599 4.799 1.00 0.00 C ATOM 1694 CE2 PHE A 114 -11.416 -6.352 4.051 1.00 0.00 C ATOM 1695 CZ PHE A 114 -11.324 -7.268 5.081 1.00 0.00 C ATOM 0 H PHE A 114 -9.809 -6.760 -0.541 1.00 0.00 H new ATOM 0 HA PHE A 114 -8.747 -8.738 1.367 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -11.469 -7.918 0.377 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -11.245 -9.568 0.924 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -10.745 -10.052 3.274 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -11.336 -6.050 1.940 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -11.014 -9.317 5.602 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -11.606 -5.311 4.268 1.00 0.00 H new ATOM 0 HZ PHE A 114 -11.439 -6.944 6.105 1.00 0.00 H new ATOM 1705 N VAL A 115 -8.172 -10.397 -0.368 1.00 0.00 N ATOM 1706 CA VAL A 115 -7.862 -11.453 -1.325 1.00 0.00 C ATOM 1707 C VAL A 115 -8.546 -12.761 -0.941 1.00 0.00 C ATOM 1708 O VAL A 115 -8.406 -13.237 0.185 1.00 0.00 O ATOM 1709 CB VAL A 115 -6.344 -11.690 -1.426 1.00 0.00 C ATOM 1710 CG1 VAL A 115 -6.053 -12.959 -2.214 1.00 0.00 C ATOM 1711 CG2 VAL A 115 -5.658 -10.490 -2.060 1.00 0.00 C ATOM 0 H VAL A 115 -7.538 -10.351 0.430 1.00 0.00 H new ATOM 0 HA VAL A 115 -8.236 -11.122 -2.294 1.00 0.00 H new ATOM 0 HB VAL A 115 -5.946 -11.816 -0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -4.975 -13.110 -2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.511 -13.812 -1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -6.464 -12.865 -3.219 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -4.586 -10.675 -2.123 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -6.058 -10.329 -3.061 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -5.838 -9.604 -1.451 1.00 0.00 H new ATOM 1721 N GLN A 116 -9.283 -13.336 -1.885 1.00 0.00 N ATOM 1722 CA GLN A 116 -9.989 -14.589 -1.645 1.00 0.00 C ATOM 1723 C GLN A 116 -9.219 -15.768 -2.230 1.00 0.00 C ATOM 1724 O GLN A 116 -8.906 -15.789 -3.421 1.00 0.00 O ATOM 1725 CB GLN A 116 -11.393 -14.532 -2.248 1.00 0.00 C ATOM 1726 CG GLN A 116 -12.051 -15.896 -2.389 1.00 0.00 C ATOM 1727 CD GLN A 116 -13.564 -15.822 -2.340 1.00 0.00 C ATOM 1728 OE1 GLN A 116 -14.133 -14.939 -1.698 1.00 0.00 O ATOM 1729 NE2 GLN A 116 -14.225 -16.751 -3.021 1.00 0.00 N ATOM 0 H GLN A 116 -9.407 -12.955 -2.823 1.00 0.00 H new ATOM 0 HA GLN A 116 -10.070 -14.730 -0.567 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -12.022 -13.897 -1.624 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -11.339 -14.061 -3.229 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -11.744 -16.348 -3.332 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -11.697 -16.550 -1.592 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -13.713 -17.464 -3.540 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -15.245 -16.751 -3.026 1.00 0.00 H new ATOM 1738 N VAL A 117 -8.915 -16.749 -1.386 1.00 0.00 N ATOM 1739 CA VAL A 117 -8.182 -17.932 -1.819 1.00 0.00 C ATOM 1740 C VAL A 117 -8.936 -19.208 -1.461 1.00 0.00 C ATOM 1741 O VAL A 117 -8.972 -19.614 -0.300 1.00 0.00 O ATOM 1742 CB VAL A 117 -6.777 -17.984 -1.189 1.00 0.00 C ATOM 1743 CG1 VAL A 117 -6.828 -17.546 0.266 1.00 0.00 C ATOM 1744 CG2 VAL A 117 -6.190 -19.382 -1.313 1.00 0.00 C ATOM 0 H VAL A 117 -9.166 -16.747 -0.397 1.00 0.00 H new ATOM 0 HA VAL A 117 -8.084 -17.864 -2.902 1.00 0.00 H new ATOM 0 HB VAL A 117 -6.129 -17.293 -1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -5.827 -17.589 0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -7.204 -16.525 0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.490 -18.210 0.823 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -5.197 -19.401 -0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -6.835 -20.094 -0.799 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -6.116 -19.654 -2.366 1.00 0.00 H new ATOM 1754 N SER A 118 -9.536 -19.836 -2.467 1.00 0.00 N ATOM 1755 CA SER A 118 -10.293 -21.065 -2.258 1.00 0.00 C ATOM 1756 C SER A 118 -9.429 -22.126 -1.583 1.00 0.00 C ATOM 1757 O SER A 118 -8.230 -21.933 -1.384 1.00 0.00 O ATOM 1758 CB SER A 118 -10.824 -21.595 -3.591 1.00 0.00 C ATOM 1759 OG SER A 118 -11.893 -20.797 -4.068 1.00 0.00 O ATOM 0 H SER A 118 -9.513 -19.514 -3.435 1.00 0.00 H new ATOM 0 HA SER A 118 -11.135 -20.838 -1.605 1.00 0.00 H new ATOM 0 HB2 SER A 118 -10.020 -21.609 -4.327 1.00 0.00 H new ATOM 0 HB3 SER A 118 -11.161 -22.624 -3.468 1.00 0.00 H new ATOM 0 HG SER A 118 -12.213 -21.156 -4.922 1.00 0.00 H new ATOM 1765 N GLY A 119 -10.049 -23.249 -1.232 1.00 0.00 N ATOM 1766 CA GLY A 119 -9.323 -24.325 -0.583 1.00 0.00 C ATOM 1767 C GLY A 119 -9.547 -25.665 -1.256 1.00 0.00 C ATOM 1768 O GLY A 119 -10.432 -25.820 -2.097 1.00 0.00 O ATOM 0 H GLY A 119 -11.041 -23.432 -1.386 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -8.258 -24.094 -0.586 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -9.632 -24.390 0.460 1.00 0.00 H new