USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 697 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 88 SER OG : rot -88:sc= -0.112 USER MOD Set 1.2: A 89 HIS : no HE2:sc= -1.78 X(o=-1.9,f=-1.6) USER MOD Set 1.3: A 187 SER OG : rot 140:sc= 0 USER MOD Single : A 79 MET CE :methyl 175:sc= 0 (180deg=-0.000739) USER MOD Single : A 80 THR OG1 : rot -170:sc= -1.58! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -137:sc= -0.246 (180deg=-1.23!) USER MOD Single : A 92 LYS NZ :NH3+ 167:sc= -0.0149 (180deg=-0.305) USER MOD Single : A 94 LYS NZ :NH3+ -115:sc= -0.369 (180deg=-2.2!) USER MOD Single : A 102 HIS : no HE2:sc= -1.42 K(o=-1.4,f=-3.2!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -1.26 K(o=-1.3,f=-0.27) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc=-0.000628 X(o=-0.00063,f=-0.0022) USER MOD Single : A 117 THR OG1 : rot -7:sc= -0.367 USER MOD Single : A 118 GLN : amide:sc= -12.8! C(o=-13!,f=-14!) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -5.93! C(o=-5.9!,f=-5.3!) USER MOD Single : A 126 ASN : amide:sc= -3.45! C(o=-3.4!,f=-4.7!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 22:sc= 0.104 USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot -126:sc= 0.519 USER MOD Single : A 142 CYS SG : rot 100:sc= -4.65! USER MOD Single : A 143 TYR OH : rot -94:sc= -0.341 USER MOD Single : A 144 LYS NZ :NH3+ -134:sc=-0.00892 (180deg=-0.896) USER MOD Single : A 192 HIS : no HD1:sc= -2.86 K(o=-2.9,f=-2.1) USER MOD Single : A 193 HIS : no HE2:sc= -2.23! C(o=-2.2!,f=-3.1!) USER MOD Single : A 194 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 18.548 -0.631 -9.253 1.00 1.04 N ATOM 275 CA VAL A 74 19.687 -1.284 -8.538 1.00 0.93 C ATOM 276 C VAL A 74 19.484 -2.799 -8.643 1.00 0.86 C ATOM 277 O VAL A 74 18.370 -3.256 -8.801 1.00 0.89 O ATOM 278 CB VAL A 74 19.667 -0.860 -7.062 1.00 1.09 C ATOM 279 CG1 VAL A 74 20.305 0.522 -6.903 1.00 1.17 C ATOM 280 CG2 VAL A 74 18.219 -0.806 -6.576 1.00 1.38 C ATOM 0 HA VAL A 74 20.643 -0.993 -8.974 1.00 0.93 H new ATOM 0 HB VAL A 74 20.232 -1.583 -6.473 1.00 1.09 H new ATOM 0 HG11 VAL A 74 20.286 0.813 -5.853 1.00 1.17 H new ATOM 0 HG12 VAL A 74 21.337 0.488 -7.251 1.00 1.17 H new ATOM 0 HG13 VAL A 74 19.747 1.250 -7.492 1.00 1.17 H new ATOM 0 HG21 VAL A 74 18.198 -0.506 -5.528 1.00 1.38 H new ATOM 0 HG22 VAL A 74 17.662 -0.083 -7.172 1.00 1.38 H new ATOM 0 HG23 VAL A 74 17.763 -1.791 -6.680 1.00 1.38 H new ATOM 290 N PRO A 75 20.536 -3.581 -8.551 1.00 0.93 N ATOM 291 CA PRO A 75 20.432 -5.065 -8.633 1.00 1.00 C ATOM 292 C PRO A 75 19.136 -5.583 -7.994 1.00 0.88 C ATOM 293 O PRO A 75 18.855 -5.331 -6.840 1.00 0.84 O ATOM 294 CB PRO A 75 21.666 -5.528 -7.864 1.00 1.18 C ATOM 295 CG PRO A 75 22.700 -4.475 -8.145 1.00 1.37 C ATOM 296 CD PRO A 75 21.936 -3.153 -8.368 1.00 1.13 C ATOM 0 HA PRO A 75 20.396 -5.438 -9.657 1.00 1.00 H new ATOM 0 HB2 PRO A 75 21.461 -5.609 -6.796 1.00 1.18 H new ATOM 0 HB3 PRO A 75 21.998 -6.510 -8.200 1.00 1.18 H new ATOM 0 HG2 PRO A 75 23.396 -4.384 -7.311 1.00 1.37 H new ATOM 0 HG3 PRO A 75 23.288 -4.735 -9.025 1.00 1.37 H new ATOM 0 HD2 PRO A 75 22.041 -2.482 -7.515 1.00 1.13 H new ATOM 0 HD3 PRO A 75 22.308 -2.619 -9.242 1.00 1.13 H new ATOM 304 N LEU A 76 18.334 -6.277 -8.754 1.00 0.86 N ATOM 305 CA LEU A 76 17.037 -6.784 -8.218 1.00 0.77 C ATOM 306 C LEU A 76 17.274 -7.721 -7.030 1.00 0.77 C ATOM 307 O LEU A 76 17.557 -8.892 -7.189 1.00 0.85 O ATOM 308 CB LEU A 76 16.290 -7.533 -9.327 1.00 0.84 C ATOM 309 CG LEU A 76 15.858 -6.550 -10.430 1.00 0.87 C ATOM 310 CD1 LEU A 76 15.322 -7.340 -11.630 1.00 1.01 C ATOM 311 CD2 LEU A 76 14.761 -5.597 -9.908 1.00 0.76 C ATOM 0 H LEU A 76 18.521 -6.516 -9.728 1.00 0.86 H new ATOM 0 HA LEU A 76 16.440 -5.938 -7.877 1.00 0.77 H new ATOM 0 HB2 LEU A 76 16.931 -8.307 -9.749 1.00 0.84 H new ATOM 0 HB3 LEU A 76 15.415 -8.034 -8.913 1.00 0.84 H new ATOM 0 HG LEU A 76 16.721 -5.956 -10.731 1.00 0.87 H new ATOM 0 HD11 LEU A 76 15.015 -6.647 -12.414 1.00 1.01 H new ATOM 0 HD12 LEU A 76 16.104 -7.997 -12.012 1.00 1.01 H new ATOM 0 HD13 LEU A 76 14.466 -7.938 -11.319 1.00 1.01 H new ATOM 0 HD21 LEU A 76 14.468 -4.910 -10.702 1.00 0.76 H new ATOM 0 HD22 LEU A 76 13.894 -6.178 -9.593 1.00 0.76 H new ATOM 0 HD23 LEU A 76 15.145 -5.030 -9.060 1.00 0.76 H new ATOM 323 N ARG A 77 17.138 -7.205 -5.838 1.00 0.74 N ATOM 324 CA ARG A 77 17.327 -8.047 -4.622 1.00 0.79 C ATOM 325 C ARG A 77 16.025 -8.818 -4.355 1.00 0.71 C ATOM 326 O ARG A 77 14.958 -8.369 -4.728 1.00 0.73 O ATOM 327 CB ARG A 77 17.636 -7.132 -3.430 1.00 0.85 C ATOM 328 CG ARG A 77 19.041 -6.523 -3.581 1.00 1.19 C ATOM 329 CD ARG A 77 20.133 -7.568 -3.283 1.00 1.52 C ATOM 330 NE ARG A 77 20.473 -8.311 -4.529 1.00 2.13 N ATOM 331 CZ ARG A 77 21.571 -9.014 -4.589 1.00 2.66 C ATOM 332 NH1 ARG A 77 22.375 -9.053 -3.562 1.00 2.73 N ATOM 333 NH2 ARG A 77 21.866 -9.675 -5.674 1.00 3.61 N ATOM 0 H ARG A 77 16.903 -6.230 -5.654 1.00 0.74 H new ATOM 0 HA ARG A 77 18.149 -8.748 -4.766 1.00 0.79 H new ATOM 0 HB2 ARG A 77 16.892 -6.338 -3.369 1.00 0.85 H new ATOM 0 HB3 ARG A 77 17.575 -7.699 -2.501 1.00 0.85 H new ATOM 0 HG2 ARG A 77 19.167 -6.139 -4.593 1.00 1.19 H new ATOM 0 HG3 ARG A 77 19.149 -5.676 -2.903 1.00 1.19 H new ATOM 0 HD2 ARG A 77 21.022 -7.076 -2.888 1.00 1.52 H new ATOM 0 HD3 ARG A 77 19.786 -8.262 -2.518 1.00 1.52 H new ATOM 0 HE ARG A 77 19.848 -8.270 -5.334 1.00 2.13 H new ATOM 0 HH11 ARG A 77 22.145 -8.535 -2.714 1.00 2.73 H new ATOM 0 HH12 ARG A 77 23.234 -9.602 -3.607 1.00 2.73 H new ATOM 0 HH21 ARG A 77 21.238 -9.643 -6.477 1.00 3.61 H new ATOM 0 HH22 ARG A 77 22.725 -10.224 -5.719 1.00 3.61 H new ATOM 347 N PRO A 78 16.093 -9.964 -3.718 1.00 0.79 N ATOM 348 CA PRO A 78 14.876 -10.776 -3.416 1.00 0.76 C ATOM 349 C PRO A 78 14.056 -10.183 -2.261 1.00 0.67 C ATOM 350 O PRO A 78 14.562 -9.960 -1.179 1.00 0.69 O ATOM 351 CB PRO A 78 15.449 -12.147 -3.036 1.00 0.86 C ATOM 352 CG PRO A 78 16.792 -11.843 -2.453 1.00 1.18 C ATOM 353 CD PRO A 78 17.318 -10.620 -3.216 1.00 1.06 C ATOM 0 HA PRO A 78 14.185 -10.814 -4.258 1.00 0.76 H new ATOM 0 HB2 PRO A 78 14.810 -12.658 -2.316 1.00 0.86 H new ATOM 0 HB3 PRO A 78 15.532 -12.798 -3.907 1.00 0.86 H new ATOM 0 HG2 PRO A 78 16.716 -11.634 -1.386 1.00 1.18 H new ATOM 0 HG3 PRO A 78 17.467 -12.692 -2.564 1.00 1.18 H new ATOM 0 HD2 PRO A 78 17.889 -9.957 -2.565 1.00 1.06 H new ATOM 0 HD3 PRO A 78 17.979 -10.912 -4.032 1.00 1.06 H new ATOM 361 N MET A 79 12.793 -9.933 -2.484 1.00 0.65 N ATOM 362 CA MET A 79 11.942 -9.362 -1.400 1.00 0.61 C ATOM 363 C MET A 79 11.814 -10.390 -0.272 1.00 0.51 C ATOM 364 O MET A 79 11.227 -11.440 -0.443 1.00 0.56 O ATOM 365 CB MET A 79 10.555 -9.038 -1.962 1.00 0.66 C ATOM 366 CG MET A 79 9.801 -8.130 -0.987 1.00 0.74 C ATOM 367 SD MET A 79 10.470 -6.451 -1.091 1.00 1.25 S ATOM 368 CE MET A 79 9.231 -5.642 -0.049 1.00 0.83 C ATOM 0 H MET A 79 12.314 -10.099 -3.369 1.00 0.65 H new ATOM 0 HA MET A 79 12.396 -8.450 -1.013 1.00 0.61 H new ATOM 0 HB2 MET A 79 10.650 -8.548 -2.931 1.00 0.66 H new ATOM 0 HB3 MET A 79 9.994 -9.958 -2.124 1.00 0.66 H new ATOM 0 HG2 MET A 79 8.737 -8.125 -1.226 1.00 0.74 H new ATOM 0 HG3 MET A 79 9.898 -8.510 0.030 1.00 0.74 H new ATOM 0 HE1 MET A 79 9.505 -4.597 0.097 1.00 0.83 H new ATOM 0 HE2 MET A 79 8.256 -5.698 -0.533 1.00 0.83 H new ATOM 0 HE3 MET A 79 9.185 -6.144 0.918 1.00 0.83 H new ATOM 378 N THR A 80 12.373 -10.107 0.877 1.00 0.56 N ATOM 379 CA THR A 80 12.300 -11.082 2.008 1.00 0.60 C ATOM 380 C THR A 80 11.051 -10.848 2.842 1.00 0.56 C ATOM 381 O THR A 80 10.598 -9.735 3.000 1.00 0.50 O ATOM 382 CB THR A 80 13.540 -10.929 2.896 1.00 0.77 C ATOM 383 OG1 THR A 80 13.361 -9.831 3.779 1.00 0.94 O ATOM 384 CG2 THR A 80 14.770 -10.683 2.019 1.00 0.73 C ATOM 0 H THR A 80 12.877 -9.244 1.081 1.00 0.56 H new ATOM 0 HA THR A 80 12.260 -12.090 1.595 1.00 0.60 H new ATOM 0 HB THR A 80 13.684 -11.841 3.476 1.00 0.77 H new ATOM 0 HG1 THR A 80 14.207 -9.635 4.233 1.00 0.94 H new ATOM 0 HG21 THR A 80 15.652 -10.574 2.651 1.00 0.73 H new ATOM 0 HG22 THR A 80 14.910 -11.527 1.343 1.00 0.73 H new ATOM 0 HG23 THR A 80 14.626 -9.772 1.437 1.00 0.73 H new ATOM 392 N TYR A 81 10.504 -11.894 3.416 1.00 0.61 N ATOM 393 CA TYR A 81 9.310 -11.710 4.287 1.00 0.60 C ATOM 394 C TYR A 81 9.700 -10.625 5.286 1.00 0.51 C ATOM 395 O TYR A 81 8.963 -9.697 5.553 1.00 0.45 O ATOM 396 CB TYR A 81 8.985 -13.045 4.997 1.00 0.69 C ATOM 397 CG TYR A 81 8.435 -12.806 6.392 1.00 0.60 C ATOM 398 CD1 TYR A 81 7.107 -12.396 6.566 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.261 -12.990 7.509 1.00 0.71 C ATOM 400 CE1 TYR A 81 6.607 -12.172 7.855 1.00 0.66 C ATOM 401 CE2 TYR A 81 8.762 -12.767 8.795 1.00 0.77 C ATOM 402 CZ TYR A 81 7.435 -12.357 8.969 1.00 0.73 C ATOM 403 OH TYR A 81 6.944 -12.135 10.241 1.00 0.90 O ATOM 0 H TYR A 81 10.832 -12.855 3.318 1.00 0.61 H new ATOM 0 HA TYR A 81 8.419 -11.420 3.730 1.00 0.60 H new ATOM 0 HB2 TYR A 81 8.259 -13.606 4.408 1.00 0.69 H new ATOM 0 HB3 TYR A 81 9.886 -13.656 5.058 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.469 -12.253 5.707 1.00 0.59 H new ATOM 0 HD2 TYR A 81 10.285 -13.305 7.376 1.00 0.71 H new ATOM 0 HE1 TYR A 81 5.583 -11.857 7.990 1.00 0.66 H new ATOM 0 HE2 TYR A 81 9.400 -12.911 9.654 1.00 0.77 H new ATOM 0 HH TYR A 81 7.649 -12.310 10.899 1.00 0.90 H new ATOM 413 N LYS A 82 10.898 -10.726 5.792 1.00 0.52 N ATOM 414 CA LYS A 82 11.402 -9.697 6.724 1.00 0.48 C ATOM 415 C LYS A 82 11.427 -8.363 5.978 1.00 0.40 C ATOM 416 O LYS A 82 11.262 -7.314 6.567 1.00 0.38 O ATOM 417 CB LYS A 82 12.818 -10.063 7.189 1.00 0.55 C ATOM 418 CG LYS A 82 13.169 -9.254 8.445 1.00 0.60 C ATOM 419 CD LYS A 82 14.651 -9.441 8.807 1.00 0.92 C ATOM 420 CE LYS A 82 14.851 -10.756 9.570 1.00 1.49 C ATOM 421 NZ LYS A 82 14.022 -10.746 10.810 1.00 2.32 N ATOM 0 H LYS A 82 11.549 -11.486 5.594 1.00 0.52 H new ATOM 0 HA LYS A 82 10.759 -9.630 7.602 1.00 0.48 H new ATOM 0 HB2 LYS A 82 12.878 -11.130 7.402 1.00 0.55 H new ATOM 0 HB3 LYS A 82 13.537 -9.856 6.397 1.00 0.55 H new ATOM 0 HG2 LYS A 82 12.960 -8.198 8.275 1.00 0.60 H new ATOM 0 HG3 LYS A 82 12.542 -9.573 9.278 1.00 0.60 H new ATOM 0 HD2 LYS A 82 15.256 -9.443 7.900 1.00 0.92 H new ATOM 0 HD3 LYS A 82 14.992 -8.604 9.416 1.00 0.92 H new ATOM 0 HE2 LYS A 82 14.571 -11.600 8.940 1.00 1.49 H new ATOM 0 HE3 LYS A 82 15.903 -10.884 9.825 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 14.579 -11.125 11.603 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 13.732 -9.771 11.026 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 13.177 -11.335 10.667 1.00 2.32 H new ATOM 435 N ALA A 83 11.630 -8.386 4.674 1.00 0.42 N ATOM 436 CA ALA A 83 11.653 -7.093 3.925 1.00 0.41 C ATOM 437 C ALA A 83 10.268 -6.445 3.984 1.00 0.35 C ATOM 438 O ALA A 83 10.138 -5.247 4.128 1.00 0.34 O ATOM 439 CB ALA A 83 12.039 -7.332 2.460 1.00 0.52 C ATOM 0 H ALA A 83 11.777 -9.225 4.114 1.00 0.42 H new ATOM 0 HA ALA A 83 12.391 -6.434 4.383 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.051 -6.381 1.927 1.00 0.52 H new ATOM 0 HB2 ALA A 83 13.029 -7.787 2.414 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.312 -7.998 1.996 1.00 0.52 H new ATOM 445 N ALA A 84 9.233 -7.229 3.873 1.00 0.34 N ATOM 446 CA ALA A 84 7.855 -6.663 3.919 1.00 0.31 C ATOM 447 C ALA A 84 7.603 -6.017 5.283 1.00 0.28 C ATOM 448 O ALA A 84 7.209 -4.871 5.374 1.00 0.28 O ATOM 449 CB ALA A 84 6.841 -7.786 3.692 1.00 0.34 C ATOM 0 H ALA A 84 9.281 -8.241 3.752 1.00 0.34 H new ATOM 0 HA ALA A 84 7.749 -5.907 3.141 1.00 0.31 H new ATOM 0 HB1 ALA A 84 5.831 -7.377 3.725 1.00 0.34 H new ATOM 0 HB2 ALA A 84 7.016 -8.243 2.718 1.00 0.34 H new ATOM 0 HB3 ALA A 84 6.952 -8.540 4.471 1.00 0.34 H new ATOM 455 N VAL A 85 7.820 -6.743 6.345 1.00 0.29 N ATOM 456 CA VAL A 85 7.583 -6.167 7.700 1.00 0.29 C ATOM 457 C VAL A 85 8.567 -5.025 7.954 1.00 0.29 C ATOM 458 O VAL A 85 8.199 -3.985 8.460 1.00 0.30 O ATOM 459 CB VAL A 85 7.757 -7.255 8.767 1.00 0.33 C ATOM 460 CG1 VAL A 85 7.094 -6.808 10.073 1.00 0.37 C ATOM 461 CG2 VAL A 85 7.093 -8.547 8.289 1.00 0.38 C ATOM 0 H VAL A 85 8.150 -7.708 6.334 1.00 0.29 H new ATOM 0 HA VAL A 85 6.565 -5.780 7.752 1.00 0.29 H new ATOM 0 HB VAL A 85 8.820 -7.425 8.936 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.220 -7.583 10.829 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.559 -5.885 10.420 1.00 0.37 H new ATOM 0 HG13 VAL A 85 6.031 -6.637 9.902 1.00 0.37 H new ATOM 0 HG21 VAL A 85 7.216 -9.321 9.046 1.00 0.38 H new ATOM 0 HG22 VAL A 85 6.031 -8.369 8.121 1.00 0.38 H new ATOM 0 HG23 VAL A 85 7.558 -8.873 7.359 1.00 0.38 H new ATOM 471 N ASP A 86 9.811 -5.196 7.603 1.00 0.30 N ATOM 472 CA ASP A 86 10.787 -4.095 7.828 1.00 0.32 C ATOM 473 C ASP A 86 10.344 -2.887 7.002 1.00 0.30 C ATOM 474 O ASP A 86 10.288 -1.776 7.488 1.00 0.31 O ATOM 475 CB ASP A 86 12.188 -4.540 7.389 1.00 0.36 C ATOM 476 CG ASP A 86 12.827 -5.389 8.493 1.00 0.42 C ATOM 477 OD1 ASP A 86 12.088 -6.009 9.239 1.00 1.05 O ATOM 478 OD2 ASP A 86 14.045 -5.400 8.574 1.00 1.23 O ATOM 0 H ASP A 86 10.191 -6.040 7.175 1.00 0.30 H new ATOM 0 HA ASP A 86 10.822 -3.836 8.886 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.125 -5.115 6.465 1.00 0.36 H new ATOM 0 HB3 ASP A 86 12.809 -3.669 7.181 1.00 0.36 H new ATOM 483 N LEU A 87 10.013 -3.102 5.757 1.00 0.29 N ATOM 484 CA LEU A 87 9.558 -1.972 4.904 1.00 0.30 C ATOM 485 C LEU A 87 8.296 -1.360 5.511 1.00 0.29 C ATOM 486 O LEU A 87 8.108 -0.160 5.489 1.00 0.30 O ATOM 487 CB LEU A 87 9.250 -2.483 3.489 1.00 0.33 C ATOM 488 CG LEU A 87 9.090 -1.296 2.515 1.00 0.42 C ATOM 489 CD1 LEU A 87 10.460 -0.875 1.969 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.194 -1.709 1.340 1.00 0.44 C ATOM 0 H LEU A 87 10.039 -4.012 5.296 1.00 0.29 H new ATOM 0 HA LEU A 87 10.343 -1.218 4.850 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.053 -3.137 3.148 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.337 -3.079 3.501 1.00 0.33 H new ATOM 0 HG LEU A 87 8.639 -0.461 3.052 1.00 0.42 H new ATOM 0 HD11 LEU A 87 10.336 -0.037 1.283 1.00 0.52 H new ATOM 0 HD12 LEU A 87 11.105 -0.575 2.795 1.00 0.52 H new ATOM 0 HD13 LEU A 87 10.914 -1.713 1.440 1.00 0.52 H new ATOM 0 HD21 LEU A 87 8.083 -0.869 0.654 1.00 0.44 H new ATOM 0 HD22 LEU A 87 8.648 -2.549 0.814 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.214 -2.003 1.716 1.00 0.44 H new ATOM 502 N SER A 88 7.424 -2.171 6.053 1.00 0.30 N ATOM 503 CA SER A 88 6.180 -1.617 6.653 1.00 0.34 C ATOM 504 C SER A 88 6.522 -0.450 7.583 1.00 0.33 C ATOM 505 O SER A 88 6.015 0.644 7.433 1.00 0.36 O ATOM 506 CB SER A 88 5.469 -2.710 7.452 1.00 0.40 C ATOM 507 OG SER A 88 6.130 -2.884 8.698 1.00 0.44 O ATOM 0 H SER A 88 7.521 -3.185 6.105 1.00 0.30 H new ATOM 0 HA SER A 88 5.528 -1.261 5.856 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.426 -2.438 7.615 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.470 -3.645 6.892 1.00 0.40 H new ATOM 0 HG SER A 88 6.850 -3.541 8.597 1.00 0.44 H new ATOM 513 N HIS A 89 7.367 -0.676 8.551 1.00 0.34 N ATOM 514 CA HIS A 89 7.724 0.418 9.499 1.00 0.36 C ATOM 515 C HIS A 89 8.620 1.454 8.816 1.00 0.36 C ATOM 516 O HIS A 89 8.613 2.617 9.171 1.00 0.41 O ATOM 517 CB HIS A 89 8.464 -0.174 10.700 1.00 0.41 C ATOM 518 CG HIS A 89 7.551 -1.111 11.439 1.00 0.52 C ATOM 519 ND1 HIS A 89 6.643 -0.665 12.387 1.00 1.43 N ATOM 520 CD2 HIS A 89 7.395 -2.474 11.384 1.00 1.01 C ATOM 521 CE1 HIS A 89 5.988 -1.740 12.858 1.00 1.27 C ATOM 522 NE2 HIS A 89 6.407 -2.870 12.282 1.00 0.82 N ATOM 0 H HIS A 89 7.826 -1.570 8.727 1.00 0.34 H new ATOM 0 HA HIS A 89 6.807 0.908 9.827 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.355 -0.706 10.366 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.799 0.623 11.364 1.00 0.41 H new ATOM 0 HD1 HIS A 89 6.498 0.303 12.675 1.00 1.43 H new ATOM 0 HD2 HIS A 89 7.954 -3.138 10.742 1.00 1.01 H new ATOM 0 HE1 HIS A 89 5.216 -1.696 13.612 1.00 1.27 H new ATOM 530 N PHE A 90 9.395 1.057 7.844 1.00 0.34 N ATOM 531 CA PHE A 90 10.277 2.047 7.166 1.00 0.37 C ATOM 532 C PHE A 90 9.412 3.195 6.648 1.00 0.40 C ATOM 533 O PHE A 90 9.613 4.345 6.988 1.00 0.47 O ATOM 534 CB PHE A 90 11.004 1.370 5.997 1.00 0.38 C ATOM 535 CG PHE A 90 12.202 2.199 5.590 1.00 0.47 C ATOM 536 CD1 PHE A 90 13.296 2.314 6.457 1.00 0.57 C ATOM 537 CD2 PHE A 90 12.223 2.851 4.349 1.00 0.59 C ATOM 538 CE1 PHE A 90 14.408 3.078 6.087 1.00 0.69 C ATOM 539 CE2 PHE A 90 13.336 3.616 3.978 1.00 0.70 C ATOM 540 CZ PHE A 90 14.429 3.729 4.847 1.00 0.72 C ATOM 0 H PHE A 90 9.455 0.101 7.493 1.00 0.34 H new ATOM 0 HA PHE A 90 11.019 2.431 7.866 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.324 0.369 6.286 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.325 1.256 5.152 1.00 0.38 H new ATOM 0 HD1 PHE A 90 13.281 1.812 7.413 1.00 0.57 H new ATOM 0 HD2 PHE A 90 11.381 2.763 3.679 1.00 0.59 H new ATOM 0 HE1 PHE A 90 15.250 3.166 6.757 1.00 0.69 H new ATOM 0 HE2 PHE A 90 13.352 4.119 3.022 1.00 0.70 H new ATOM 0 HZ PHE A 90 15.288 4.318 4.561 1.00 0.72 H new ATOM 550 N LEU A 91 8.443 2.887 5.832 1.00 0.37 N ATOM 551 CA LEU A 91 7.550 3.948 5.292 1.00 0.42 C ATOM 552 C LEU A 91 6.791 4.625 6.442 1.00 0.47 C ATOM 553 O LEU A 91 6.408 5.773 6.350 1.00 0.57 O ATOM 554 CB LEU A 91 6.553 3.312 4.316 1.00 0.41 C ATOM 555 CG LEU A 91 7.261 2.974 2.984 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.567 1.786 2.309 1.00 0.42 C ATOM 557 CD2 LEU A 91 7.208 4.183 2.039 1.00 0.54 C ATOM 0 H LEU A 91 8.231 1.941 5.515 1.00 0.37 H new ATOM 0 HA LEU A 91 8.145 4.699 4.772 1.00 0.42 H new ATOM 0 HB2 LEU A 91 6.130 2.407 4.753 1.00 0.41 H new ATOM 0 HB3 LEU A 91 5.724 3.995 4.134 1.00 0.41 H new ATOM 0 HG LEU A 91 8.299 2.720 3.197 1.00 0.41 H new ATOM 0 HD11 LEU A 91 7.072 1.554 1.371 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.609 0.918 2.967 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.526 2.039 2.108 1.00 0.42 H new ATOM 0 HD21 LEU A 91 7.709 3.936 1.103 1.00 0.54 H new ATOM 0 HD22 LEU A 91 6.169 4.441 1.837 1.00 0.54 H new ATOM 0 HD23 LEU A 91 7.709 5.032 2.505 1.00 0.54 H new ATOM 569 N LYS A 92 6.562 3.920 7.520 1.00 0.45 N ATOM 570 CA LYS A 92 5.820 4.525 8.665 1.00 0.53 C ATOM 571 C LYS A 92 6.636 5.672 9.273 1.00 0.63 C ATOM 572 O LYS A 92 6.161 6.783 9.399 1.00 0.85 O ATOM 573 CB LYS A 92 5.569 3.456 9.734 1.00 0.54 C ATOM 574 CG LYS A 92 4.607 4.003 10.796 1.00 0.73 C ATOM 575 CD LYS A 92 4.580 3.058 12.001 1.00 1.20 C ATOM 576 CE LYS A 92 3.795 3.706 13.143 1.00 1.61 C ATOM 577 NZ LYS A 92 2.392 3.952 12.706 1.00 2.27 N ATOM 0 H LYS A 92 6.857 2.953 7.656 1.00 0.45 H new ATOM 0 HA LYS A 92 4.868 4.915 8.305 1.00 0.53 H new ATOM 0 HB2 LYS A 92 5.149 2.561 9.275 1.00 0.54 H new ATOM 0 HB3 LYS A 92 6.511 3.164 10.198 1.00 0.54 H new ATOM 0 HG2 LYS A 92 4.923 4.998 11.109 1.00 0.73 H new ATOM 0 HG3 LYS A 92 3.606 4.103 10.377 1.00 0.73 H new ATOM 0 HD2 LYS A 92 4.120 2.110 11.722 1.00 1.20 H new ATOM 0 HD3 LYS A 92 5.597 2.836 12.325 1.00 1.20 H new ATOM 0 HE2 LYS A 92 3.806 3.058 14.019 1.00 1.61 H new ATOM 0 HE3 LYS A 92 4.266 4.645 13.435 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 1.806 4.183 13.534 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 2.372 4.746 12.035 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 2.018 3.099 12.244 1.00 2.27 H new ATOM 591 N GLU A 93 7.851 5.406 9.666 1.00 0.62 N ATOM 592 CA GLU A 93 8.689 6.474 10.285 1.00 0.76 C ATOM 593 C GLU A 93 9.037 7.553 9.252 1.00 0.77 C ATOM 594 O GLU A 93 9.293 8.689 9.597 1.00 1.05 O ATOM 595 CB GLU A 93 9.982 5.853 10.818 1.00 0.94 C ATOM 596 CG GLU A 93 9.645 4.658 11.713 1.00 1.22 C ATOM 597 CD GLU A 93 10.892 4.237 12.494 1.00 2.00 C ATOM 598 OE1 GLU A 93 11.980 4.585 12.066 1.00 2.73 O ATOM 599 OE2 GLU A 93 10.737 3.573 13.507 1.00 2.54 O ATOM 0 H GLU A 93 8.301 4.494 9.586 1.00 0.62 H new ATOM 0 HA GLU A 93 8.128 6.934 11.099 1.00 0.76 H new ATOM 0 HB2 GLU A 93 10.613 5.533 9.989 1.00 0.94 H new ATOM 0 HB3 GLU A 93 10.548 6.594 11.382 1.00 0.94 H new ATOM 0 HG2 GLU A 93 8.843 4.921 12.402 1.00 1.22 H new ATOM 0 HG3 GLU A 93 9.285 3.827 11.107 1.00 1.22 H new ATOM 606 N LYS A 94 9.062 7.210 7.993 1.00 0.80 N ATOM 607 CA LYS A 94 9.413 8.227 6.957 1.00 1.02 C ATOM 608 C LYS A 94 8.224 9.167 6.716 1.00 0.96 C ATOM 609 O LYS A 94 8.316 10.355 6.956 1.00 1.41 O ATOM 610 CB LYS A 94 9.802 7.513 5.648 1.00 1.39 C ATOM 611 CG LYS A 94 11.291 7.145 5.679 1.00 1.63 C ATOM 612 CD LYS A 94 11.692 6.468 4.361 1.00 2.18 C ATOM 613 CE LYS A 94 11.509 7.439 3.178 1.00 2.61 C ATOM 614 NZ LYS A 94 10.156 7.241 2.584 1.00 2.96 N ATOM 0 H LYS A 94 8.856 6.277 7.637 1.00 0.80 H new ATOM 0 HA LYS A 94 10.258 8.820 7.306 1.00 1.02 H new ATOM 0 HB2 LYS A 94 9.199 6.614 5.520 1.00 1.39 H new ATOM 0 HB3 LYS A 94 9.596 8.160 4.795 1.00 1.39 H new ATOM 0 HG2 LYS A 94 11.892 8.041 5.835 1.00 1.63 H new ATOM 0 HG3 LYS A 94 11.492 6.477 6.516 1.00 1.63 H new ATOM 0 HD2 LYS A 94 12.731 6.142 4.414 1.00 2.18 H new ATOM 0 HD3 LYS A 94 11.085 5.576 4.204 1.00 2.18 H new ATOM 0 HE2 LYS A 94 11.623 8.469 3.517 1.00 2.61 H new ATOM 0 HE3 LYS A 94 12.278 7.264 2.426 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 10.252 6.879 1.614 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 9.622 6.557 3.157 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 9.648 8.149 2.566 1.00 2.96 H new ATOM 628 N GLY A 95 7.118 8.653 6.231 1.00 1.12 N ATOM 629 CA GLY A 95 5.926 9.524 5.958 1.00 1.51 C ATOM 630 C GLY A 95 4.687 8.950 6.646 1.00 1.10 C ATOM 631 O GLY A 95 4.742 7.929 7.302 1.00 1.71 O ATOM 0 H GLY A 95 6.988 7.665 6.011 1.00 1.12 H new ATOM 0 HA2 GLY A 95 6.115 10.536 6.317 1.00 1.51 H new ATOM 0 HA3 GLY A 95 5.755 9.594 4.884 1.00 1.51 H new ATOM 635 N GLY A 96 3.563 9.607 6.494 1.00 1.17 N ATOM 636 CA GLY A 96 2.297 9.120 7.127 1.00 0.99 C ATOM 637 C GLY A 96 1.411 8.474 6.058 1.00 0.81 C ATOM 638 O GLY A 96 0.451 9.061 5.600 1.00 0.83 O ATOM 0 H GLY A 96 3.468 10.467 5.954 1.00 1.17 H new ATOM 0 HA2 GLY A 96 2.524 8.399 7.912 1.00 0.99 H new ATOM 0 HA3 GLY A 96 1.771 9.950 7.599 1.00 0.99 H new ATOM 642 N LEU A 97 1.723 7.270 5.655 1.00 0.67 N ATOM 643 CA LEU A 97 0.894 6.592 4.616 1.00 0.55 C ATOM 644 C LEU A 97 -0.364 6.028 5.281 1.00 0.46 C ATOM 645 O LEU A 97 -1.399 5.889 4.661 1.00 0.49 O ATOM 646 CB LEU A 97 1.710 5.452 3.985 1.00 0.54 C ATOM 647 CG LEU A 97 0.896 4.737 2.892 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.649 5.680 1.705 1.00 0.65 C ATOM 649 CD2 LEU A 97 1.681 3.512 2.414 1.00 0.66 C ATOM 0 H LEU A 97 2.515 6.728 6.000 1.00 0.67 H new ATOM 0 HA LEU A 97 0.608 7.300 3.838 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.630 5.851 3.557 1.00 0.54 H new ATOM 0 HB3 LEU A 97 2.000 4.737 4.755 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.067 4.432 3.302 1.00 0.54 H new ATOM 0 HD11 LEU A 97 0.072 5.159 0.941 1.00 0.65 H new ATOM 0 HD12 LEU A 97 0.095 6.555 2.045 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.605 5.996 1.286 1.00 0.65 H new ATOM 0 HD21 LEU A 97 1.114 2.996 1.639 1.00 0.66 H new ATOM 0 HD22 LEU A 97 2.642 3.831 2.010 1.00 0.66 H new ATOM 0 HD23 LEU A 97 1.846 2.836 3.253 1.00 0.66 H new ATOM 661 N GLU A 98 -0.280 5.705 6.539 1.00 0.44 N ATOM 662 CA GLU A 98 -1.465 5.156 7.251 1.00 0.40 C ATOM 663 C GLU A 98 -2.650 6.103 7.090 1.00 0.40 C ATOM 664 O GLU A 98 -2.512 7.310 7.118 1.00 0.58 O ATOM 665 CB GLU A 98 -1.139 5.005 8.736 1.00 0.49 C ATOM 666 CG GLU A 98 -2.349 4.434 9.482 1.00 0.48 C ATOM 667 CD GLU A 98 -1.965 4.158 10.936 1.00 1.26 C ATOM 668 OE1 GLU A 98 -0.824 3.791 11.168 1.00 1.94 O ATOM 669 OE2 GLU A 98 -2.817 4.318 11.794 1.00 2.03 O ATOM 0 H GLU A 98 0.562 5.798 7.107 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.719 4.184 6.828 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -0.279 4.347 8.863 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.865 5.972 9.157 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -3.181 5.138 9.441 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -2.685 3.515 9.002 1.00 0.48 H new ATOM 676 N GLY A 99 -3.815 5.552 6.952 1.00 0.39 N ATOM 677 CA GLY A 99 -5.041 6.390 6.819 1.00 0.42 C ATOM 678 C GLY A 99 -4.996 7.260 5.553 1.00 0.42 C ATOM 679 O GLY A 99 -5.907 8.022 5.296 1.00 0.46 O ATOM 0 H GLY A 99 -3.978 4.545 6.925 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -5.921 5.747 6.788 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -5.143 7.028 7.697 1.00 0.42 H new ATOM 683 N LEU A 100 -3.965 7.165 4.755 1.00 0.41 N ATOM 684 CA LEU A 100 -3.919 8.007 3.518 1.00 0.43 C ATOM 685 C LEU A 100 -4.898 7.432 2.489 1.00 0.42 C ATOM 686 O LEU A 100 -4.772 6.300 2.066 1.00 0.44 O ATOM 687 CB LEU A 100 -2.491 8.017 2.942 1.00 0.45 C ATOM 688 CG LEU A 100 -2.274 9.274 2.071 1.00 0.55 C ATOM 689 CD1 LEU A 100 -1.852 10.462 2.949 1.00 1.15 C ATOM 690 CD2 LEU A 100 -1.175 9.004 1.034 1.00 1.17 C ATOM 0 H LEU A 100 -3.163 6.552 4.900 1.00 0.41 H new ATOM 0 HA LEU A 100 -4.203 9.031 3.759 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -1.764 7.999 3.754 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -2.326 7.120 2.346 1.00 0.45 H new ATOM 0 HG LEU A 100 -3.210 9.512 1.565 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -1.702 11.342 2.323 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -2.631 10.667 3.683 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -0.922 10.221 3.465 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -1.026 9.894 0.422 1.00 1.17 H new ATOM 0 HD22 LEU A 100 -0.245 8.755 1.546 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -1.473 8.171 0.397 1.00 1.17 H new ATOM 702 N ILE A 101 -5.889 8.194 2.103 1.00 0.44 N ATOM 703 CA ILE A 101 -6.890 7.677 1.125 1.00 0.45 C ATOM 704 C ILE A 101 -6.240 7.370 -0.227 1.00 0.46 C ATOM 705 O ILE A 101 -5.902 8.252 -0.992 1.00 0.49 O ATOM 706 CB ILE A 101 -8.042 8.687 0.966 1.00 0.50 C ATOM 707 CG1 ILE A 101 -8.972 8.609 2.198 1.00 0.51 C ATOM 708 CG2 ILE A 101 -8.846 8.387 -0.308 1.00 0.54 C ATOM 709 CD1 ILE A 101 -9.953 7.418 2.094 1.00 0.52 C ATOM 0 H ILE A 101 -6.047 9.150 2.422 1.00 0.44 H new ATOM 0 HA ILE A 101 -7.295 6.742 1.511 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.622 9.690 0.887 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.372 8.509 3.102 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.535 9.538 2.290 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -9.656 9.110 -0.406 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -8.191 8.457 -1.176 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -9.262 7.381 -0.247 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.591 7.394 2.977 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.570 7.532 1.203 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.390 6.487 2.028 1.00 0.52 H new ATOM 721 N HIS A 102 -6.102 6.106 -0.529 1.00 0.47 N ATOM 722 CA HIS A 102 -5.519 5.692 -1.831 1.00 0.51 C ATOM 723 C HIS A 102 -6.487 6.093 -2.953 1.00 0.58 C ATOM 724 O HIS A 102 -7.565 5.533 -3.083 1.00 0.64 O ATOM 725 CB HIS A 102 -5.301 4.159 -1.822 1.00 0.57 C ATOM 726 CG HIS A 102 -5.375 3.589 -3.219 1.00 0.64 C ATOM 727 ND1 HIS A 102 -6.529 2.998 -3.710 1.00 1.41 N ATOM 728 CD2 HIS A 102 -4.456 3.517 -4.235 1.00 0.64 C ATOM 729 CE1 HIS A 102 -6.276 2.600 -4.970 1.00 1.36 C ATOM 730 NE2 HIS A 102 -5.027 2.893 -5.340 1.00 0.70 N ATOM 0 H HIS A 102 -6.373 5.336 0.082 1.00 0.47 H new ATOM 0 HA HIS A 102 -4.559 6.182 -1.996 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -4.330 3.930 -1.384 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.055 3.685 -1.193 1.00 0.57 H new ATOM 0 HD1 HIS A 102 -7.409 2.885 -3.207 1.00 1.41 H new ATOM 0 HD2 HIS A 102 -3.443 3.888 -4.185 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -6.995 2.104 -5.605 1.00 1.36 H new ATOM 738 N SER A 103 -6.102 7.048 -3.760 1.00 0.60 N ATOM 739 CA SER A 103 -6.974 7.481 -4.885 1.00 0.69 C ATOM 740 C SER A 103 -6.967 6.397 -5.969 1.00 0.76 C ATOM 741 O SER A 103 -7.479 5.311 -5.784 1.00 0.85 O ATOM 742 CB SER A 103 -6.447 8.794 -5.467 1.00 0.74 C ATOM 743 OG SER A 103 -6.450 9.791 -4.454 1.00 1.49 O ATOM 0 H SER A 103 -5.216 7.547 -3.685 1.00 0.60 H new ATOM 0 HA SER A 103 -7.991 7.633 -4.525 1.00 0.69 H new ATOM 0 HB2 SER A 103 -5.437 8.655 -5.853 1.00 0.74 H new ATOM 0 HB3 SER A 103 -7.068 9.109 -6.305 1.00 0.74 H new ATOM 0 HG SER A 103 -6.111 10.633 -4.823 1.00 1.49 H new ATOM 749 N GLN A 104 -6.373 6.681 -7.100 1.00 0.81 N ATOM 750 CA GLN A 104 -6.312 5.671 -8.201 1.00 0.92 C ATOM 751 C GLN A 104 -4.967 5.799 -8.919 1.00 0.93 C ATOM 752 O GLN A 104 -4.717 5.144 -9.912 1.00 1.37 O ATOM 753 CB GLN A 104 -7.453 5.920 -9.193 1.00 1.06 C ATOM 754 CG GLN A 104 -8.764 5.360 -8.632 1.00 1.76 C ATOM 755 CD GLN A 104 -8.707 3.828 -8.606 1.00 2.14 C ATOM 756 OE1 GLN A 104 -9.247 3.206 -7.713 1.00 2.64 O ATOM 757 NE2 GLN A 104 -8.073 3.192 -9.553 1.00 2.70 N ATOM 0 H GLN A 104 -5.925 7.573 -7.310 1.00 0.81 H new ATOM 0 HA GLN A 104 -6.414 4.668 -7.787 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -7.555 6.989 -9.382 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -7.225 5.448 -10.149 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -8.933 5.744 -7.626 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -9.603 5.691 -9.244 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -7.620 3.714 -10.303 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -8.031 2.173 -9.543 1.00 2.70 H new ATOM 766 N ARG A 105 -4.094 6.635 -8.413 1.00 0.83 N ATOM 767 CA ARG A 105 -2.747 6.818 -9.040 1.00 0.87 C ATOM 768 C ARG A 105 -1.683 6.698 -7.949 1.00 0.74 C ATOM 769 O ARG A 105 -0.571 6.272 -8.191 1.00 0.70 O ATOM 770 CB ARG A 105 -2.648 8.210 -9.679 1.00 1.06 C ATOM 771 CG ARG A 105 -3.691 8.367 -10.811 1.00 1.71 C ATOM 772 CD ARG A 105 -4.999 8.960 -10.258 1.00 1.99 C ATOM 773 NE ARG A 105 -6.154 8.496 -11.091 1.00 2.86 N ATOM 774 CZ ARG A 105 -6.143 8.611 -12.392 1.00 3.60 C ATOM 775 NH1 ARG A 105 -5.221 9.317 -12.987 1.00 3.73 N ATOM 776 NH2 ARG A 105 -7.098 8.067 -13.098 1.00 4.61 N ATOM 0 H ARG A 105 -4.259 7.205 -7.583 1.00 0.83 H new ATOM 0 HA ARG A 105 -2.598 6.060 -9.809 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -2.809 8.976 -8.921 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -1.645 8.362 -10.078 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -3.293 9.014 -11.593 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -3.889 7.398 -11.269 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -5.139 8.653 -9.221 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -4.948 10.049 -10.264 1.00 1.99 H new ATOM 0 HE ARG A 105 -6.966 8.082 -10.633 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -4.501 9.784 -12.436 1.00 3.73 H new ATOM 0 HH12 ARG A 105 -5.220 9.401 -14.003 1.00 3.73 H new ATOM 0 HH21 ARG A 105 -7.848 7.555 -12.633 1.00 4.61 H new ATOM 0 HH22 ARG A 105 -7.094 8.154 -14.114 1.00 4.61 H new ATOM 790 N ARG A 106 -2.020 7.073 -6.744 1.00 0.71 N ATOM 791 CA ARG A 106 -1.036 6.985 -5.631 1.00 0.65 C ATOM 792 C ARG A 106 -0.522 5.549 -5.517 1.00 0.54 C ATOM 793 O ARG A 106 0.530 5.299 -4.967 1.00 0.50 O ATOM 794 CB ARG A 106 -1.711 7.397 -4.315 1.00 0.70 C ATOM 795 CG ARG A 106 -0.639 7.724 -3.262 1.00 1.01 C ATOM 796 CD ARG A 106 -0.066 9.146 -3.489 1.00 1.24 C ATOM 797 NE ARG A 106 1.433 9.112 -3.442 1.00 1.86 N ATOM 798 CZ ARG A 106 2.069 8.483 -2.487 1.00 2.48 C ATOM 799 NH1 ARG A 106 1.409 7.947 -1.497 1.00 2.86 N ATOM 800 NH2 ARG A 106 3.372 8.415 -2.510 1.00 3.29 N ATOM 0 H ARG A 106 -2.937 7.437 -6.484 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.199 7.654 -5.832 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -2.350 8.265 -4.479 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -2.353 6.592 -3.957 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -1.070 7.655 -2.263 1.00 1.01 H new ATOM 0 HG3 ARG A 106 0.165 6.990 -3.314 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -0.399 9.531 -4.453 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -0.446 9.826 -2.726 1.00 1.24 H new ATOM 0 HE ARG A 106 1.967 9.589 -4.169 1.00 1.86 H new ATOM 0 HH11 ARG A 106 0.392 8.017 -1.465 1.00 2.86 H new ATOM 0 HH12 ARG A 106 1.910 7.458 -0.755 1.00 2.86 H new ATOM 0 HH21 ARG A 106 3.892 8.852 -3.271 1.00 3.29 H new ATOM 0 HH22 ARG A 106 3.870 7.925 -1.767 1.00 3.29 H new ATOM 814 N GLN A 107 -1.257 4.605 -6.034 1.00 0.55 N ATOM 815 CA GLN A 107 -0.806 3.189 -5.955 1.00 0.52 C ATOM 816 C GLN A 107 0.494 3.024 -6.746 1.00 0.49 C ATOM 817 O GLN A 107 1.466 2.485 -6.257 1.00 0.44 O ATOM 818 CB GLN A 107 -1.887 2.282 -6.550 1.00 0.63 C ATOM 819 CG GLN A 107 -1.387 0.836 -6.583 1.00 1.11 C ATOM 820 CD GLN A 107 -2.572 -0.110 -6.796 1.00 1.53 C ATOM 821 OE1 GLN A 107 -3.191 -0.550 -5.849 1.00 2.13 O ATOM 822 NE2 GLN A 107 -2.915 -0.442 -8.011 1.00 2.12 N ATOM 0 H GLN A 107 -2.149 4.753 -6.507 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.633 2.916 -4.914 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -2.798 2.348 -5.956 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -2.139 2.613 -7.558 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -0.659 0.710 -7.384 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -0.879 0.595 -5.650 1.00 1.11 H new ATOM 0 HE21 GLN A 107 -2.395 -0.072 -8.807 1.00 2.12 H new ATOM 0 HE22 GLN A 107 -3.703 -1.071 -8.165 1.00 2.12 H new ATOM 831 N ASP A 108 0.516 3.484 -7.968 1.00 0.56 N ATOM 832 CA ASP A 108 1.749 3.356 -8.796 1.00 0.59 C ATOM 833 C ASP A 108 2.911 4.082 -8.113 1.00 0.54 C ATOM 834 O ASP A 108 3.991 3.544 -7.968 1.00 0.54 O ATOM 835 CB ASP A 108 1.501 3.974 -10.173 1.00 0.72 C ATOM 836 CG ASP A 108 0.303 3.288 -10.831 1.00 0.81 C ATOM 837 OD1 ASP A 108 0.502 2.254 -11.448 1.00 1.33 O ATOM 838 OD2 ASP A 108 -0.793 3.808 -10.709 1.00 1.42 O ATOM 0 H ASP A 108 -0.269 3.944 -8.429 1.00 0.56 H new ATOM 0 HA ASP A 108 2.001 2.301 -8.907 1.00 0.59 H new ATOM 0 HB2 ASP A 108 1.313 5.043 -10.075 1.00 0.72 H new ATOM 0 HB3 ASP A 108 2.387 3.862 -10.799 1.00 0.72 H new ATOM 843 N ILE A 109 2.701 5.304 -7.698 1.00 0.55 N ATOM 844 CA ILE A 109 3.797 6.066 -7.029 1.00 0.54 C ATOM 845 C ILE A 109 4.467 5.180 -5.976 1.00 0.47 C ATOM 846 O ILE A 109 5.677 5.134 -5.870 1.00 0.53 O ATOM 847 CB ILE A 109 3.218 7.309 -6.347 1.00 0.59 C ATOM 848 CG1 ILE A 109 2.321 8.076 -7.331 1.00 0.70 C ATOM 849 CG2 ILE A 109 4.358 8.216 -5.882 1.00 0.63 C ATOM 850 CD1 ILE A 109 3.065 8.320 -8.648 1.00 1.47 C ATOM 0 H ILE A 109 1.819 5.807 -7.793 1.00 0.55 H new ATOM 0 HA ILE A 109 4.532 6.368 -7.775 1.00 0.54 H new ATOM 0 HB ILE A 109 2.624 7.000 -5.487 1.00 0.59 H new ATOM 0 HG12 ILE A 109 1.409 7.510 -7.520 1.00 0.70 H new ATOM 0 HG13 ILE A 109 2.020 9.028 -6.893 1.00 0.70 H new ATOM 0 HG21 ILE A 109 3.945 9.100 -5.397 1.00 0.63 H new ATOM 0 HG22 ILE A 109 4.988 7.675 -5.175 1.00 0.63 H new ATOM 0 HG23 ILE A 109 4.955 8.520 -6.742 1.00 0.63 H new ATOM 0 HD11 ILE A 109 2.418 8.864 -9.336 1.00 1.47 H new ATOM 0 HD12 ILE A 109 3.964 8.906 -8.455 1.00 1.47 H new ATOM 0 HD13 ILE A 109 3.343 7.364 -9.091 1.00 1.47 H new ATOM 862 N LEU A 110 3.691 4.474 -5.201 1.00 0.43 N ATOM 863 CA LEU A 110 4.284 3.590 -4.160 1.00 0.39 C ATOM 864 C LEU A 110 5.184 2.554 -4.841 1.00 0.38 C ATOM 865 O LEU A 110 6.389 2.575 -4.699 1.00 0.38 O ATOM 866 CB LEU A 110 3.159 2.879 -3.395 1.00 0.42 C ATOM 867 CG LEU A 110 3.734 2.072 -2.217 1.00 0.44 C ATOM 868 CD1 LEU A 110 4.181 3.011 -1.083 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.657 1.117 -1.692 1.00 0.66 C ATOM 0 H LEU A 110 2.672 4.471 -5.244 1.00 0.43 H new ATOM 0 HA LEU A 110 4.874 4.182 -3.460 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.442 3.613 -3.025 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.617 2.215 -4.068 1.00 0.42 H new ATOM 0 HG LEU A 110 4.600 1.509 -2.564 1.00 0.44 H new ATOM 0 HD11 LEU A 110 4.584 2.421 -0.260 1.00 0.56 H new ATOM 0 HD12 LEU A 110 4.949 3.689 -1.454 1.00 0.56 H new ATOM 0 HD13 LEU A 110 3.326 3.589 -0.731 1.00 0.56 H new ATOM 0 HD21 LEU A 110 3.057 0.541 -0.857 1.00 0.66 H new ATOM 0 HD22 LEU A 110 1.794 1.691 -1.356 1.00 0.66 H new ATOM 0 HD23 LEU A 110 2.353 0.438 -2.489 1.00 0.66 H new ATOM 881 N ASP A 111 4.603 1.650 -5.578 1.00 0.40 N ATOM 882 CA ASP A 111 5.416 0.610 -6.269 1.00 0.42 C ATOM 883 C ASP A 111 6.580 1.265 -7.018 1.00 0.43 C ATOM 884 O ASP A 111 7.708 0.820 -6.942 1.00 0.42 O ATOM 885 CB ASP A 111 4.532 -0.133 -7.270 1.00 0.50 C ATOM 886 CG ASP A 111 3.340 -0.755 -6.540 1.00 0.59 C ATOM 887 OD1 ASP A 111 3.505 -1.830 -5.987 1.00 1.19 O ATOM 888 OD2 ASP A 111 2.283 -0.145 -6.545 1.00 1.30 O ATOM 0 H ASP A 111 3.597 1.586 -5.732 1.00 0.40 H new ATOM 0 HA ASP A 111 5.812 -0.086 -5.529 1.00 0.42 H new ATOM 0 HB2 ASP A 111 4.181 0.554 -8.040 1.00 0.50 H new ATOM 0 HB3 ASP A 111 5.108 -0.909 -7.773 1.00 0.50 H new ATOM 893 N LEU A 112 6.314 2.309 -7.754 1.00 0.48 N ATOM 894 CA LEU A 112 7.403 2.980 -8.521 1.00 0.52 C ATOM 895 C LEU A 112 8.431 3.577 -7.555 1.00 0.48 C ATOM 896 O LEU A 112 9.619 3.368 -7.701 1.00 0.47 O ATOM 897 CB LEU A 112 6.799 4.088 -9.393 1.00 0.60 C ATOM 898 CG LEU A 112 7.863 4.662 -10.352 1.00 0.70 C ATOM 899 CD1 LEU A 112 8.013 3.763 -11.587 1.00 1.45 C ATOM 900 CD2 LEU A 112 7.438 6.062 -10.808 1.00 1.26 C ATOM 0 H LEU A 112 5.389 2.727 -7.858 1.00 0.48 H new ATOM 0 HA LEU A 112 7.903 2.249 -9.157 1.00 0.52 H new ATOM 0 HB2 LEU A 112 5.961 3.692 -9.966 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.405 4.883 -8.760 1.00 0.60 H new ATOM 0 HG LEU A 112 8.816 4.710 -9.825 1.00 0.70 H new ATOM 0 HD11 LEU A 112 8.767 4.182 -12.253 1.00 1.45 H new ATOM 0 HD12 LEU A 112 8.319 2.764 -11.275 1.00 1.45 H new ATOM 0 HD13 LEU A 112 7.059 3.703 -12.111 1.00 1.45 H new ATOM 0 HD21 LEU A 112 8.189 6.468 -11.485 1.00 1.26 H new ATOM 0 HD22 LEU A 112 6.480 6.001 -11.324 1.00 1.26 H new ATOM 0 HD23 LEU A 112 7.342 6.714 -9.940 1.00 1.26 H new ATOM 912 N TRP A 113 7.997 4.318 -6.570 1.00 0.48 N ATOM 913 CA TRP A 113 8.975 4.913 -5.614 1.00 0.48 C ATOM 914 C TRP A 113 9.920 3.815 -5.126 1.00 0.43 C ATOM 915 O TRP A 113 11.125 3.954 -5.172 1.00 0.45 O ATOM 916 CB TRP A 113 8.237 5.522 -4.420 1.00 0.52 C ATOM 917 CG TRP A 113 9.235 6.048 -3.438 1.00 0.56 C ATOM 918 CD1 TRP A 113 9.873 7.238 -3.536 1.00 0.66 C ATOM 919 CD2 TRP A 113 9.722 5.425 -2.215 1.00 0.55 C ATOM 920 NE1 TRP A 113 10.720 7.383 -2.450 1.00 0.70 N ATOM 921 CE2 TRP A 113 10.662 6.290 -1.608 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.440 4.203 -1.582 1.00 0.51 C ATOM 923 CZ2 TRP A 113 11.299 5.952 -0.411 1.00 0.70 C ATOM 924 CZ3 TRP A 113 10.078 3.859 -0.380 1.00 0.58 C ATOM 925 CH2 TRP A 113 11.007 4.732 0.204 1.00 0.67 C ATOM 0 H TRP A 113 7.017 4.535 -6.387 1.00 0.48 H new ATOM 0 HA TRP A 113 9.542 5.698 -6.114 1.00 0.48 H new ATOM 0 HB2 TRP A 113 7.581 6.325 -4.755 1.00 0.52 H new ATOM 0 HB3 TRP A 113 7.605 4.771 -3.947 1.00 0.52 H new ATOM 0 HD1 TRP A 113 9.743 7.957 -4.331 1.00 0.66 H new ATOM 0 HE1 TRP A 113 11.314 8.197 -2.292 1.00 0.70 H new ATOM 0 HE3 TRP A 113 8.727 3.523 -2.024 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 12.012 6.629 0.036 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 9.852 2.917 0.098 1.00 0.58 H new ATOM 0 HH2 TRP A 113 11.496 4.462 1.128 1.00 0.67 H new ATOM 936 N ILE A 114 9.383 2.715 -4.673 1.00 0.39 N ATOM 937 CA ILE A 114 10.256 1.607 -4.201 1.00 0.37 C ATOM 938 C ILE A 114 11.173 1.178 -5.348 1.00 0.39 C ATOM 939 O ILE A 114 12.300 0.771 -5.141 1.00 0.44 O ATOM 940 CB ILE A 114 9.395 0.415 -3.767 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.404 0.868 -2.691 1.00 0.37 C ATOM 942 CG2 ILE A 114 10.293 -0.688 -3.202 1.00 0.42 C ATOM 943 CD1 ILE A 114 7.489 -0.297 -2.312 1.00 1.00 C ATOM 0 H ILE A 114 8.381 2.537 -4.610 1.00 0.39 H new ATOM 0 HA ILE A 114 10.850 1.946 -3.352 1.00 0.37 H new ATOM 0 HB ILE A 114 8.848 0.030 -4.628 1.00 0.37 H new ATOM 0 HG12 ILE A 114 8.943 1.221 -1.812 1.00 0.37 H new ATOM 0 HG13 ILE A 114 7.810 1.705 -3.058 1.00 0.37 H new ATOM 0 HG21 ILE A 114 9.679 -1.535 -2.894 1.00 0.42 H new ATOM 0 HG22 ILE A 114 10.998 -1.011 -3.968 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.842 -0.305 -2.341 1.00 0.42 H new ATOM 0 HD11 ILE A 114 6.785 0.028 -1.546 1.00 1.00 H new ATOM 0 HD12 ILE A 114 6.940 -0.630 -3.193 1.00 1.00 H new ATOM 0 HD13 ILE A 114 8.090 -1.121 -1.927 1.00 1.00 H new ATOM 955 N TYR A 115 10.690 1.253 -6.556 1.00 0.40 N ATOM 956 CA TYR A 115 11.514 0.838 -7.725 1.00 0.46 C ATOM 957 C TYR A 115 12.755 1.735 -7.849 1.00 0.51 C ATOM 958 O TYR A 115 13.876 1.273 -7.774 1.00 0.54 O ATOM 959 CB TYR A 115 10.663 0.954 -8.998 1.00 0.53 C ATOM 960 CG TYR A 115 11.241 0.083 -10.093 1.00 0.59 C ATOM 961 CD1 TYR A 115 11.070 -1.306 -10.042 1.00 0.56 C ATOM 962 CD2 TYR A 115 11.941 0.664 -11.158 1.00 0.74 C ATOM 963 CE1 TYR A 115 11.597 -2.113 -11.057 1.00 0.65 C ATOM 964 CE2 TYR A 115 12.468 -0.144 -12.172 1.00 0.82 C ATOM 965 CZ TYR A 115 12.296 -1.532 -12.123 1.00 0.77 C ATOM 966 OH TYR A 115 12.815 -2.328 -13.123 1.00 0.87 O ATOM 0 H TYR A 115 9.754 1.586 -6.785 1.00 0.40 H new ATOM 0 HA TYR A 115 11.843 -0.192 -7.588 1.00 0.46 H new ATOM 0 HB2 TYR A 115 9.637 0.653 -8.787 1.00 0.53 H new ATOM 0 HB3 TYR A 115 10.629 1.992 -9.329 1.00 0.53 H new ATOM 0 HD1 TYR A 115 10.532 -1.754 -9.220 1.00 0.56 H new ATOM 0 HD2 TYR A 115 12.074 1.735 -11.197 1.00 0.74 H new ATOM 0 HE1 TYR A 115 11.465 -3.184 -11.018 1.00 0.65 H new ATOM 0 HE2 TYR A 115 13.008 0.304 -12.993 1.00 0.82 H new ATOM 0 HH TYR A 115 13.269 -1.766 -13.786 1.00 0.87 H new ATOM 976 N HIS A 116 12.560 3.010 -8.059 1.00 0.58 N ATOM 977 CA HIS A 116 13.722 3.936 -8.212 1.00 0.67 C ATOM 978 C HIS A 116 14.576 3.953 -6.937 1.00 0.67 C ATOM 979 O HIS A 116 15.519 4.714 -6.837 1.00 0.81 O ATOM 980 CB HIS A 116 13.207 5.353 -8.498 1.00 0.79 C ATOM 981 CG HIS A 116 12.753 5.452 -9.931 1.00 1.20 C ATOM 982 ND1 HIS A 116 13.380 6.280 -10.848 1.00 1.99 N ATOM 983 CD2 HIS A 116 11.741 4.830 -10.619 1.00 2.05 C ATOM 984 CE1 HIS A 116 12.746 6.134 -12.026 1.00 2.71 C ATOM 985 NE2 HIS A 116 11.738 5.261 -11.941 1.00 2.74 N ATOM 0 H HIS A 116 11.644 3.452 -8.131 1.00 0.58 H new ATOM 0 HA HIS A 116 14.339 3.587 -9.040 1.00 0.67 H new ATOM 0 HB2 HIS A 116 12.381 5.592 -7.828 1.00 0.79 H new ATOM 0 HB3 HIS A 116 13.994 6.082 -8.305 1.00 0.79 H new ATOM 0 HD2 HIS A 116 11.051 4.114 -10.197 1.00 2.05 H new ATOM 0 HE1 HIS A 116 13.019 6.658 -12.930 1.00 2.71 H new ATOM 0 HE2 HIS A 116 11.103 4.973 -12.685 1.00 2.74 H new ATOM 993 N THR A 117 14.261 3.131 -5.963 1.00 0.63 N ATOM 994 CA THR A 117 15.063 3.111 -4.692 1.00 0.68 C ATOM 995 C THR A 117 15.801 1.778 -4.557 1.00 0.66 C ATOM 996 O THR A 117 16.895 1.609 -5.060 1.00 0.73 O ATOM 997 CB THR A 117 14.129 3.284 -3.494 1.00 0.80 C ATOM 998 OG1 THR A 117 13.144 2.266 -3.519 1.00 0.85 O ATOM 999 CG2 THR A 117 13.454 4.658 -3.552 1.00 0.91 C ATOM 0 H THR A 117 13.483 2.472 -5.991 1.00 0.63 H new ATOM 0 HA THR A 117 15.787 3.925 -4.721 1.00 0.68 H new ATOM 0 HB THR A 117 14.706 3.212 -2.572 1.00 0.80 H new ATOM 0 HG1 THR A 117 13.219 1.758 -4.354 1.00 0.85 H new ATOM 0 HG21 THR A 117 12.790 4.774 -2.695 1.00 0.91 H new ATOM 0 HG22 THR A 117 14.215 5.438 -3.530 1.00 0.91 H new ATOM 0 HG23 THR A 117 12.876 4.741 -4.472 1.00 0.91 H new ATOM 1007 N GLN A 118 15.220 0.831 -3.867 1.00 0.73 N ATOM 1008 CA GLN A 118 15.898 -0.485 -3.685 1.00 0.83 C ATOM 1009 C GLN A 118 15.668 -1.356 -4.927 1.00 0.72 C ATOM 1010 O GLN A 118 16.331 -2.350 -5.133 1.00 0.91 O ATOM 1011 CB GLN A 118 15.325 -1.171 -2.434 1.00 1.06 C ATOM 1012 CG GLN A 118 16.312 -2.216 -1.890 1.00 1.48 C ATOM 1013 CD GLN A 118 16.313 -3.454 -2.789 1.00 2.12 C ATOM 1014 OE1 GLN A 118 17.336 -4.086 -2.958 1.00 2.89 O ATOM 1015 NE2 GLN A 118 15.208 -3.831 -3.380 1.00 2.13 N ATOM 0 H GLN A 118 14.306 0.913 -3.422 1.00 0.73 H new ATOM 0 HA GLN A 118 16.971 -0.341 -3.556 1.00 0.83 H new ATOM 0 HB2 GLN A 118 15.117 -0.425 -1.667 1.00 1.06 H new ATOM 0 HB3 GLN A 118 14.377 -1.651 -2.678 1.00 1.06 H new ATOM 0 HG2 GLN A 118 17.314 -1.791 -1.842 1.00 1.48 H new ATOM 0 HG3 GLN A 118 16.035 -2.495 -0.873 1.00 1.48 H new ATOM 0 HE21 GLN A 118 14.348 -3.301 -3.239 1.00 2.13 H new ATOM 0 HE22 GLN A 118 15.207 -4.655 -3.982 1.00 2.13 H new ATOM 1024 N GLY A 119 14.756 -0.968 -5.774 1.00 0.86 N ATOM 1025 CA GLY A 119 14.511 -1.749 -7.021 1.00 0.85 C ATOM 1026 C GLY A 119 13.733 -3.041 -6.734 1.00 0.65 C ATOM 1027 O GLY A 119 13.858 -4.008 -7.460 1.00 0.67 O ATOM 0 H GLY A 119 14.168 -0.143 -5.657 1.00 0.86 H new ATOM 0 HA2 GLY A 119 13.953 -1.138 -7.730 1.00 0.85 H new ATOM 0 HA3 GLY A 119 15.464 -1.994 -7.491 1.00 0.85 H new ATOM 1031 N TYR A 120 12.918 -3.080 -5.713 1.00 0.54 N ATOM 1032 CA TYR A 120 12.145 -4.332 -5.455 1.00 0.44 C ATOM 1033 C TYR A 120 11.026 -4.429 -6.497 1.00 0.49 C ATOM 1034 O TYR A 120 10.403 -3.442 -6.835 1.00 0.70 O ATOM 1035 CB TYR A 120 11.512 -4.297 -4.054 1.00 0.48 C ATOM 1036 CG TYR A 120 12.536 -4.621 -2.984 1.00 0.52 C ATOM 1037 CD1 TYR A 120 13.192 -5.862 -2.983 1.00 0.58 C ATOM 1038 CD2 TYR A 120 12.811 -3.687 -1.976 1.00 0.60 C ATOM 1039 CE1 TYR A 120 14.124 -6.159 -1.980 1.00 0.71 C ATOM 1040 CE2 TYR A 120 13.740 -3.987 -0.974 1.00 0.71 C ATOM 1041 CZ TYR A 120 14.397 -5.222 -0.977 1.00 0.75 C ATOM 1042 OH TYR A 120 15.314 -5.516 0.012 1.00 0.91 O ATOM 0 H TYR A 120 12.755 -2.316 -5.058 1.00 0.54 H new ATOM 0 HA TYR A 120 12.816 -5.189 -5.518 1.00 0.44 H new ATOM 0 HB2 TYR A 120 11.087 -3.311 -3.868 1.00 0.48 H new ATOM 0 HB3 TYR A 120 10.691 -5.012 -4.005 1.00 0.48 H new ATOM 0 HD1 TYR A 120 12.979 -6.587 -3.754 1.00 0.58 H new ATOM 0 HD2 TYR A 120 12.304 -2.733 -1.973 1.00 0.60 H new ATOM 0 HE1 TYR A 120 14.632 -7.112 -1.981 1.00 0.71 H new ATOM 0 HE2 TYR A 120 13.950 -3.265 -0.198 1.00 0.71 H new ATOM 0 HH TYR A 120 15.385 -4.757 0.628 1.00 0.91 H new ATOM 1052 N PHE A 121 10.757 -5.601 -7.009 1.00 0.48 N ATOM 1053 CA PHE A 121 9.668 -5.726 -8.025 1.00 0.57 C ATOM 1054 C PHE A 121 8.312 -5.814 -7.287 1.00 0.55 C ATOM 1055 O PHE A 121 8.228 -6.397 -6.224 1.00 0.59 O ATOM 1056 CB PHE A 121 9.894 -6.991 -8.885 1.00 0.68 C ATOM 1057 CG PHE A 121 10.704 -8.013 -8.113 1.00 1.42 C ATOM 1058 CD1 PHE A 121 10.128 -8.690 -7.032 1.00 2.32 C ATOM 1059 CD2 PHE A 121 12.027 -8.287 -8.483 1.00 2.33 C ATOM 1060 CE1 PHE A 121 10.873 -9.638 -6.321 1.00 3.44 C ATOM 1061 CE2 PHE A 121 12.772 -9.235 -7.770 1.00 3.43 C ATOM 1062 CZ PHE A 121 12.195 -9.910 -6.690 1.00 3.85 C ATOM 0 H PHE A 121 11.237 -6.469 -6.772 1.00 0.48 H new ATOM 0 HA PHE A 121 9.670 -4.858 -8.684 1.00 0.57 H new ATOM 0 HB2 PHE A 121 8.934 -7.420 -9.173 1.00 0.68 H new ATOM 0 HB3 PHE A 121 10.413 -6.725 -9.806 1.00 0.68 H new ATOM 0 HD1 PHE A 121 9.108 -8.481 -6.746 1.00 2.32 H new ATOM 0 HD2 PHE A 121 12.473 -7.767 -9.318 1.00 2.33 H new ATOM 0 HE1 PHE A 121 10.427 -10.160 -5.487 1.00 3.44 H new ATOM 0 HE2 PHE A 121 13.793 -9.445 -8.055 1.00 3.43 H new ATOM 0 HZ PHE A 121 12.770 -10.641 -6.141 1.00 3.85 H new ATOM 1072 N PRO A 122 7.256 -5.240 -7.828 1.00 0.64 N ATOM 1073 CA PRO A 122 5.910 -5.277 -7.178 1.00 0.67 C ATOM 1074 C PRO A 122 5.177 -6.605 -7.412 1.00 0.73 C ATOM 1075 O PRO A 122 3.977 -6.635 -7.606 1.00 1.19 O ATOM 1076 CB PRO A 122 5.171 -4.124 -7.858 1.00 0.80 C ATOM 1077 CG PRO A 122 5.735 -4.094 -9.241 1.00 1.05 C ATOM 1078 CD PRO A 122 7.211 -4.489 -9.102 1.00 0.87 C ATOM 0 HA PRO A 122 5.974 -5.186 -6.094 1.00 0.67 H new ATOM 0 HB2 PRO A 122 4.094 -4.293 -7.870 1.00 0.80 H new ATOM 0 HB3 PRO A 122 5.340 -3.181 -7.338 1.00 0.80 H new ATOM 0 HG2 PRO A 122 5.205 -4.787 -9.894 1.00 1.05 H new ATOM 0 HG3 PRO A 122 5.636 -3.102 -9.682 1.00 1.05 H new ATOM 0 HD2 PRO A 122 7.542 -5.102 -9.940 1.00 0.87 H new ATOM 0 HD3 PRO A 122 7.859 -3.613 -9.073 1.00 0.87 H new ATOM 1086 N ASP A 123 5.881 -7.701 -7.379 1.00 0.56 N ATOM 1087 CA ASP A 123 5.212 -9.018 -7.580 1.00 0.64 C ATOM 1088 C ASP A 123 4.631 -9.463 -6.241 1.00 0.58 C ATOM 1089 O ASP A 123 4.391 -10.631 -6.009 1.00 0.65 O ATOM 1090 CB ASP A 123 6.235 -10.049 -8.069 1.00 0.74 C ATOM 1091 CG ASP A 123 7.273 -10.311 -6.975 1.00 0.77 C ATOM 1092 OD1 ASP A 123 7.221 -9.635 -5.961 1.00 1.27 O ATOM 1093 OD2 ASP A 123 8.103 -11.184 -7.170 1.00 1.38 O ATOM 0 H ASP A 123 6.888 -7.743 -7.222 1.00 0.56 H new ATOM 0 HA ASP A 123 4.421 -8.931 -8.325 1.00 0.64 H new ATOM 0 HB2 ASP A 123 5.730 -10.978 -8.334 1.00 0.74 H new ATOM 0 HB3 ASP A 123 6.728 -9.686 -8.971 1.00 0.74 H new ATOM 1098 N TRP A 124 4.423 -8.524 -5.351 1.00 0.53 N ATOM 1099 CA TRP A 124 3.877 -8.851 -3.998 1.00 0.52 C ATOM 1100 C TRP A 124 2.707 -7.928 -3.675 1.00 0.51 C ATOM 1101 O TRP A 124 1.884 -8.215 -2.828 1.00 0.55 O ATOM 1102 CB TRP A 124 4.981 -8.632 -2.963 1.00 0.49 C ATOM 1103 CG TRP A 124 5.388 -7.192 -2.996 1.00 0.43 C ATOM 1104 CD1 TRP A 124 6.421 -6.686 -3.712 1.00 0.44 C ATOM 1105 CD2 TRP A 124 4.773 -6.062 -2.313 1.00 0.42 C ATOM 1106 NE1 TRP A 124 6.483 -5.321 -3.501 1.00 0.42 N ATOM 1107 CE2 TRP A 124 5.489 -4.889 -2.649 1.00 0.41 C ATOM 1108 CE3 TRP A 124 3.676 -5.943 -1.441 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 5.128 -3.642 -2.138 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 3.311 -4.689 -0.927 1.00 0.58 C ATOM 1111 CH2 TRP A 124 4.036 -3.542 -1.275 1.00 0.55 C ATOM 0 H TRP A 124 4.611 -7.534 -5.507 1.00 0.53 H new ATOM 0 HA TRP A 124 3.535 -9.886 -3.981 1.00 0.52 H new ATOM 0 HB2 TRP A 124 4.626 -8.902 -1.968 1.00 0.49 H new ATOM 0 HB3 TRP A 124 5.836 -9.272 -3.181 1.00 0.49 H new ATOM 0 HD1 TRP A 124 7.087 -7.255 -4.344 1.00 0.44 H new ATOM 0 HE1 TRP A 124 7.180 -4.708 -3.924 1.00 0.42 H new ATOM 0 HE3 TRP A 124 3.111 -6.821 -1.165 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 5.690 -2.760 -2.408 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 2.466 -4.608 -0.259 1.00 0.58 H new ATOM 0 HH2 TRP A 124 3.750 -2.580 -0.875 1.00 0.55 H new ATOM 1122 N GLN A 125 2.639 -6.825 -4.341 1.00 0.53 N ATOM 1123 CA GLN A 125 1.532 -5.861 -4.083 1.00 0.60 C ATOM 1124 C GLN A 125 0.244 -6.377 -4.726 1.00 0.66 C ATOM 1125 O GLN A 125 0.001 -6.179 -5.899 1.00 0.84 O ATOM 1126 CB GLN A 125 1.894 -4.491 -4.667 1.00 0.69 C ATOM 1127 CG GLN A 125 0.834 -3.459 -4.264 1.00 1.56 C ATOM 1128 CD GLN A 125 1.083 -2.151 -5.016 1.00 2.18 C ATOM 1129 OE1 GLN A 125 0.966 -2.101 -6.225 1.00 2.78 O ATOM 1130 NE2 GLN A 125 1.423 -1.083 -4.349 1.00 2.82 N ATOM 0 H GLN A 125 3.303 -6.539 -5.060 1.00 0.53 H new ATOM 0 HA GLN A 125 1.381 -5.761 -3.008 1.00 0.60 H new ATOM 0 HB2 GLN A 125 2.874 -4.179 -4.306 1.00 0.69 H new ATOM 0 HB3 GLN A 125 1.959 -4.554 -5.753 1.00 0.69 H new ATOM 0 HG2 GLN A 125 -0.162 -3.838 -4.492 1.00 1.56 H new ATOM 0 HG3 GLN A 125 0.871 -3.285 -3.189 1.00 1.56 H new ATOM 0 HE21 GLN A 125 1.521 -1.125 -3.335 1.00 2.82 H new ATOM 0 HE22 GLN A 125 1.591 -0.206 -4.842 1.00 2.82 H new ATOM 1139 N ASN A 126 -0.586 -7.035 -3.962 1.00 0.64 N ATOM 1140 CA ASN A 126 -1.865 -7.563 -4.517 1.00 0.72 C ATOM 1141 C ASN A 126 -2.864 -7.754 -3.373 1.00 0.69 C ATOM 1142 O ASN A 126 -2.529 -7.604 -2.214 1.00 1.22 O ATOM 1143 CB ASN A 126 -1.613 -8.907 -5.207 1.00 0.84 C ATOM 1144 CG ASN A 126 -0.642 -8.711 -6.373 1.00 0.89 C ATOM 1145 OD1 ASN A 126 -0.879 -7.903 -7.249 1.00 1.53 O ATOM 1146 ND2 ASN A 126 0.449 -9.426 -6.425 1.00 0.88 N ATOM 0 H ASN A 126 -0.432 -7.230 -2.973 1.00 0.64 H new ATOM 0 HA ASN A 126 -2.267 -6.858 -5.245 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -1.202 -9.622 -4.494 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -2.553 -9.323 -5.569 1.00 0.84 H new ATOM 0 HD21 ASN A 126 1.101 -9.306 -7.200 1.00 0.88 H new ATOM 0 HD22 ASN A 126 0.649 -10.105 -5.690 1.00 0.88 H new ATOM 1153 N TYR A 127 -4.093 -8.078 -3.682 1.00 0.69 N ATOM 1154 CA TYR A 127 -5.111 -8.268 -2.606 1.00 0.61 C ATOM 1155 C TYR A 127 -6.304 -9.052 -3.167 1.00 0.63 C ATOM 1156 O TYR A 127 -6.456 -9.203 -4.363 1.00 0.75 O ATOM 1157 CB TYR A 127 -5.621 -6.901 -2.086 1.00 0.65 C ATOM 1158 CG TYR A 127 -4.513 -5.871 -2.065 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -4.152 -5.206 -3.245 1.00 0.93 C ATOM 1160 CD2 TYR A 127 -3.853 -5.571 -0.866 1.00 0.98 C ATOM 1161 CE1 TYR A 127 -3.133 -4.246 -3.225 1.00 1.14 C ATOM 1162 CE2 TYR A 127 -2.834 -4.611 -0.848 1.00 1.19 C ATOM 1163 CZ TYR A 127 -2.474 -3.948 -2.027 1.00 1.23 C ATOM 1164 OH TYR A 127 -1.470 -2.999 -2.009 1.00 1.48 O ATOM 0 H TYR A 127 -4.435 -8.219 -4.632 1.00 0.69 H new ATOM 0 HA TYR A 127 -4.646 -8.813 -1.785 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -6.435 -6.549 -2.720 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -6.028 -7.021 -1.082 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -4.660 -5.434 -4.170 1.00 0.93 H new ATOM 0 HD2 TYR A 127 -4.130 -6.081 0.045 1.00 0.98 H new ATOM 0 HE1 TYR A 127 -2.855 -3.735 -4.135 1.00 1.14 H new ATOM 0 HE2 TYR A 127 -2.325 -4.382 0.077 1.00 1.19 H new ATOM 0 HH TYR A 127 -1.118 -2.912 -1.098 1.00 1.48 H new ATOM 1174 N THR A 128 -7.147 -9.550 -2.305 1.00 0.62 N ATOM 1175 CA THR A 128 -8.332 -10.324 -2.772 1.00 0.68 C ATOM 1176 C THR A 128 -9.264 -9.400 -3.576 1.00 0.75 C ATOM 1177 O THR A 128 -9.484 -8.270 -3.189 1.00 0.97 O ATOM 1178 CB THR A 128 -9.095 -10.856 -1.556 1.00 0.86 C ATOM 1179 OG1 THR A 128 -9.405 -9.773 -0.689 1.00 1.22 O ATOM 1180 CG2 THR A 128 -8.235 -11.875 -0.812 1.00 0.90 C ATOM 0 H THR A 128 -7.066 -9.454 -1.293 1.00 0.62 H new ATOM 0 HA THR A 128 -8.001 -11.152 -3.399 1.00 0.68 H new ATOM 0 HB THR A 128 -10.015 -11.338 -1.886 1.00 0.86 H new ATOM 0 HG1 THR A 128 -9.384 -8.933 -1.194 1.00 1.22 H new ATOM 0 HG21 THR A 128 -8.782 -12.251 0.053 1.00 0.90 H new ATOM 0 HG22 THR A 128 -7.995 -12.704 -1.478 1.00 0.90 H new ATOM 0 HG23 THR A 128 -7.313 -11.399 -0.479 1.00 0.90 H new ATOM 1249 N ARG A 134 -9.939 -5.350 1.550 1.00 0.51 N ATOM 1250 CA ARG A 134 -8.964 -6.018 0.642 1.00 0.49 C ATOM 1251 C ARG A 134 -7.747 -6.451 1.468 1.00 0.40 C ATOM 1252 O ARG A 134 -6.920 -5.644 1.856 1.00 0.38 O ATOM 1253 CB ARG A 134 -8.527 -5.030 -0.468 1.00 0.58 C ATOM 1254 CG ARG A 134 -9.398 -5.197 -1.730 1.00 1.06 C ATOM 1255 CD ARG A 134 -8.797 -4.394 -2.907 1.00 1.37 C ATOM 1256 NE ARG A 134 -9.889 -3.674 -3.642 1.00 1.86 N ATOM 1257 CZ ARG A 134 -11.002 -4.278 -3.974 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -11.148 -5.558 -3.771 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -11.961 -3.600 -4.543 1.00 3.36 N ATOM 0 HA ARG A 134 -9.421 -6.890 0.174 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -8.605 -4.007 -0.101 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -7.480 -5.199 -0.719 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -9.465 -6.252 -1.997 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -10.413 -4.854 -1.528 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -8.064 -3.678 -2.534 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -8.271 -5.065 -3.586 1.00 1.37 H new ATOM 0 HE ARG A 134 -9.761 -2.692 -3.888 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -10.391 -6.097 -3.350 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -12.019 -6.020 -4.033 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -11.841 -2.604 -4.727 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -12.830 -4.066 -4.804 1.00 3.36 H new ATOM 1273 N TYR A 135 -7.646 -7.729 1.735 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.502 -8.255 2.531 1.00 0.39 C ATOM 1275 C TYR A 135 -5.315 -8.501 1.585 1.00 0.36 C ATOM 1276 O TYR A 135 -5.508 -8.761 0.413 1.00 0.39 O ATOM 1277 CB TYR A 135 -6.915 -9.577 3.200 1.00 0.46 C ATOM 1278 CG TYR A 135 -8.358 -9.501 3.645 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -9.391 -9.700 2.718 1.00 0.72 C ATOM 1280 CD2 TYR A 135 -8.666 -9.240 4.987 1.00 0.66 C ATOM 1281 CE1 TYR A 135 -10.726 -9.636 3.134 1.00 0.91 C ATOM 1282 CE2 TYR A 135 -10.001 -9.177 5.400 1.00 0.85 C ATOM 1283 CZ TYR A 135 -11.031 -9.374 4.475 1.00 0.92 C ATOM 1284 OH TYR A 135 -12.347 -9.314 4.883 1.00 1.17 O ATOM 0 H TYR A 135 -8.316 -8.435 1.431 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.217 -7.537 3.300 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -6.784 -10.404 2.502 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -6.271 -9.778 4.057 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -9.157 -9.903 1.683 1.00 0.72 H new ATOM 0 HD2 TYR A 135 -7.872 -9.087 5.703 1.00 0.66 H new ATOM 0 HE1 TYR A 135 -11.522 -9.789 2.420 1.00 0.91 H new ATOM 0 HE2 TYR A 135 -10.237 -8.976 6.435 1.00 0.85 H new ATOM 0 HH TYR A 135 -12.383 -9.125 5.844 1.00 1.17 H new ATOM 1294 N PRO A 136 -4.098 -8.426 2.073 1.00 0.37 N ATOM 1295 CA PRO A 136 -2.888 -8.649 1.226 1.00 0.38 C ATOM 1296 C PRO A 136 -2.640 -10.136 0.951 1.00 0.37 C ATOM 1297 O PRO A 136 -2.596 -10.948 1.855 1.00 0.38 O ATOM 1298 CB PRO A 136 -1.759 -8.057 2.076 1.00 0.42 C ATOM 1299 CG PRO A 136 -2.203 -8.278 3.483 1.00 0.51 C ATOM 1300 CD PRO A 136 -3.728 -8.121 3.471 1.00 0.44 C ATOM 0 HA PRO A 136 -2.981 -8.194 0.240 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -0.809 -8.552 1.876 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -1.616 -6.997 1.866 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -1.915 -9.269 3.832 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -1.741 -7.556 4.156 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.207 -8.806 4.171 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -4.029 -7.113 3.755 1.00 0.44 H new ATOM 1308 N LEU A 137 -2.470 -10.499 -0.292 1.00 0.40 N ATOM 1309 CA LEU A 137 -2.219 -11.930 -0.616 1.00 0.43 C ATOM 1310 C LEU A 137 -0.901 -12.363 0.036 1.00 0.41 C ATOM 1311 O LEU A 137 -0.865 -13.275 0.839 1.00 0.38 O ATOM 1312 CB LEU A 137 -2.139 -12.101 -2.149 1.00 0.51 C ATOM 1313 CG LEU A 137 -3.538 -12.387 -2.728 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -3.531 -12.125 -4.237 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -3.936 -13.855 -2.475 1.00 0.92 C ATOM 0 H LEU A 137 -2.494 -9.868 -1.093 1.00 0.40 H new ATOM 0 HA LEU A 137 -3.030 -12.550 -0.234 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -1.728 -11.199 -2.602 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -1.462 -12.918 -2.396 1.00 0.51 H new ATOM 0 HG LEU A 137 -4.258 -11.732 -2.238 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -4.521 -12.327 -4.646 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -3.267 -11.084 -4.424 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -2.800 -12.777 -4.716 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -4.927 -14.040 -2.890 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -3.213 -14.516 -2.953 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -3.950 -14.048 -1.402 1.00 0.92 H new ATOM 1327 N THR A 138 0.181 -11.712 -0.298 1.00 0.50 N ATOM 1328 CA THR A 138 1.490 -12.085 0.308 1.00 0.55 C ATOM 1329 C THR A 138 1.450 -11.794 1.810 1.00 0.47 C ATOM 1330 O THR A 138 0.686 -10.974 2.277 1.00 0.50 O ATOM 1331 CB THR A 138 2.617 -11.274 -0.356 1.00 0.73 C ATOM 1332 OG1 THR A 138 2.130 -9.981 -0.693 1.00 0.98 O ATOM 1333 CG2 THR A 138 3.088 -11.988 -1.626 1.00 1.04 C ATOM 0 H THR A 138 0.214 -10.939 -0.963 1.00 0.50 H new ATOM 0 HA THR A 138 1.679 -13.147 0.151 1.00 0.55 H new ATOM 0 HB THR A 138 3.454 -11.182 0.337 1.00 0.73 H new ATOM 0 HG1 THR A 138 2.293 -9.808 -1.644 1.00 0.98 H new ATOM 0 HG21 THR A 138 3.886 -11.411 -2.093 1.00 1.04 H new ATOM 0 HG22 THR A 138 3.460 -12.980 -1.369 1.00 1.04 H new ATOM 0 HG23 THR A 138 2.254 -12.082 -2.321 1.00 1.04 H new ATOM 1341 N PHE A 139 2.270 -12.472 2.568 1.00 0.51 N ATOM 1342 CA PHE A 139 2.293 -12.255 4.047 1.00 0.49 C ATOM 1343 C PHE A 139 3.421 -11.283 4.407 1.00 0.65 C ATOM 1344 O PHE A 139 4.324 -11.048 3.629 1.00 1.43 O ATOM 1345 CB PHE A 139 2.528 -13.602 4.743 1.00 0.52 C ATOM 1346 CG PHE A 139 2.458 -13.434 6.247 1.00 0.50 C ATOM 1347 CD1 PHE A 139 1.265 -13.013 6.855 1.00 0.67 C ATOM 1348 CD2 PHE A 139 3.583 -13.704 7.039 1.00 0.59 C ATOM 1349 CE1 PHE A 139 1.200 -12.863 8.247 1.00 0.77 C ATOM 1350 CE2 PHE A 139 3.517 -13.554 8.430 1.00 0.62 C ATOM 1351 CZ PHE A 139 2.326 -13.134 9.033 1.00 0.66 C ATOM 0 H PHE A 139 2.929 -13.171 2.226 1.00 0.51 H new ATOM 0 HA PHE A 139 1.343 -11.833 4.374 1.00 0.49 H new ATOM 0 HB2 PHE A 139 1.780 -14.324 4.415 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.502 -14.001 4.459 1.00 0.52 H new ATOM 0 HD1 PHE A 139 0.396 -12.804 6.249 1.00 0.67 H new ATOM 0 HD2 PHE A 139 4.503 -14.028 6.575 1.00 0.59 H new ATOM 0 HE1 PHE A 139 0.281 -12.538 8.713 1.00 0.77 H new ATOM 0 HE2 PHE A 139 4.385 -13.762 9.037 1.00 0.62 H new ATOM 0 HZ PHE A 139 2.276 -13.019 10.106 1.00 0.66 H new ATOM 1361 N GLY A 140 3.371 -10.711 5.581 1.00 0.46 N ATOM 1362 CA GLY A 140 4.435 -9.749 6.004 1.00 0.43 C ATOM 1363 C GLY A 140 3.949 -8.319 5.765 1.00 0.35 C ATOM 1364 O GLY A 140 4.190 -7.429 6.557 1.00 0.32 O ATOM 0 H GLY A 140 2.635 -10.869 6.270 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.673 -9.893 7.058 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.351 -9.932 5.442 1.00 0.43 H new ATOM 1368 N TRP A 141 3.261 -8.094 4.680 1.00 0.34 N ATOM 1369 CA TRP A 141 2.750 -6.721 4.388 1.00 0.29 C ATOM 1370 C TRP A 141 1.551 -6.453 5.298 1.00 0.32 C ATOM 1371 O TRP A 141 0.459 -6.940 5.079 1.00 0.40 O ATOM 1372 CB TRP A 141 2.355 -6.647 2.904 1.00 0.33 C ATOM 1373 CG TRP A 141 2.068 -5.236 2.467 1.00 0.31 C ATOM 1374 CD1 TRP A 141 0.936 -4.858 1.827 1.00 0.35 C ATOM 1375 CD2 TRP A 141 2.889 -4.024 2.585 1.00 0.28 C ATOM 1376 NE1 TRP A 141 1.005 -3.509 1.543 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.180 -2.947 1.993 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.158 -3.745 3.141 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 2.704 -1.655 1.950 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 4.684 -2.443 3.098 1.00 0.31 C ATOM 1381 CH2 TRP A 141 3.959 -1.402 2.505 1.00 0.33 C ATOM 0 H TRP A 141 3.029 -8.800 3.982 1.00 0.34 H new ATOM 0 HA TRP A 141 3.511 -5.964 4.578 1.00 0.29 H new ATOM 0 HB2 TRP A 141 3.159 -7.059 2.294 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.475 -7.266 2.732 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.111 -5.509 1.578 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.273 -2.990 1.058 1.00 0.33 H new ATOM 0 HE3 TRP A 141 4.727 -4.538 3.602 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.142 -0.856 1.490 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.655 -2.243 3.526 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.371 -0.404 2.477 1.00 0.33 H new ATOM 1392 N CYS A 142 1.774 -5.710 6.346 1.00 0.31 N ATOM 1393 CA CYS A 142 0.690 -5.426 7.326 1.00 0.40 C ATOM 1394 C CYS A 142 -0.185 -4.254 6.876 1.00 0.39 C ATOM 1395 O CYS A 142 -0.432 -3.338 7.635 1.00 0.48 O ATOM 1396 CB CYS A 142 1.334 -5.096 8.665 1.00 0.47 C ATOM 1397 SG CYS A 142 1.929 -6.618 9.441 1.00 1.45 S ATOM 0 H CYS A 142 2.673 -5.282 6.567 1.00 0.31 H new ATOM 0 HA CYS A 142 0.048 -6.303 7.406 1.00 0.40 H new ATOM 0 HB2 CYS A 142 2.161 -4.401 8.521 1.00 0.47 H new ATOM 0 HB3 CYS A 142 0.612 -4.602 9.315 1.00 0.47 H new ATOM 0 HG CYS A 142 3.209 -6.733 9.245 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.663 -4.280 5.663 1.00 0.38 N ATOM 1404 CA TYR A 143 -1.542 -3.168 5.166 1.00 0.40 C ATOM 1405 C TYR A 143 -2.896 -3.735 4.747 1.00 0.43 C ATOM 1406 O TYR A 143 -2.978 -4.713 4.031 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.886 -2.497 3.964 1.00 0.55 C ATOM 1408 CG TYR A 143 0.348 -1.765 4.427 1.00 1.43 C ATOM 1409 CD1 TYR A 143 1.491 -2.486 4.782 1.00 2.17 C ATOM 1410 CD2 TYR A 143 0.348 -0.368 4.508 1.00 2.16 C ATOM 1411 CE1 TYR A 143 2.636 -1.812 5.220 1.00 3.14 C ATOM 1412 CE2 TYR A 143 1.492 0.308 4.946 1.00 3.14 C ATOM 1413 CZ TYR A 143 2.636 -0.413 5.303 1.00 3.52 C ATOM 1414 OH TYR A 143 3.762 0.256 5.735 1.00 4.57 O ATOM 0 H TYR A 143 -0.486 -5.023 4.987 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.682 -2.437 5.962 1.00 0.40 H new ATOM 0 HB2 TYR A 143 -0.623 -3.242 3.213 1.00 0.55 H new ATOM 0 HB3 TYR A 143 -1.582 -1.803 3.493 1.00 0.55 H new ATOM 0 HD1 TYR A 143 1.491 -3.564 4.718 1.00 2.17 H new ATOM 0 HD2 TYR A 143 -0.535 0.189 4.232 1.00 2.16 H new ATOM 0 HE1 TYR A 143 3.519 -2.369 5.494 1.00 3.14 H new ATOM 0 HE2 TYR A 143 1.492 1.386 5.008 1.00 3.14 H new ATOM 0 HH TYR A 143 3.692 0.426 6.698 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.961 -3.115 5.188 1.00 0.39 N ATOM 1425 CA LYS A 144 -5.337 -3.589 4.826 1.00 0.51 C ATOM 1426 C LYS A 144 -6.136 -2.398 4.295 1.00 0.43 C ATOM 1427 O LYS A 144 -6.461 -1.487 5.029 1.00 0.45 O ATOM 1428 CB LYS A 144 -6.028 -4.155 6.080 1.00 0.70 C ATOM 1429 CG LYS A 144 -7.125 -5.148 5.685 1.00 1.21 C ATOM 1430 CD LYS A 144 -7.747 -5.759 6.958 1.00 1.24 C ATOM 1431 CE LYS A 144 -9.185 -6.217 6.684 1.00 1.57 C ATOM 1432 NZ LYS A 144 -10.109 -5.062 6.855 1.00 2.32 N ATOM 0 H LYS A 144 -3.938 -2.292 5.790 1.00 0.39 H new ATOM 0 HA LYS A 144 -5.279 -4.369 4.066 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -5.293 -4.649 6.716 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -6.459 -3.341 6.664 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -7.893 -4.644 5.098 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -6.709 -5.935 5.057 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -7.147 -6.605 7.294 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -7.740 -5.024 7.763 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -9.266 -6.616 5.673 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -9.459 -7.021 7.367 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -10.931 -5.356 7.420 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -9.612 -4.289 7.342 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -10.430 -4.733 5.922 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.461 -2.388 3.033 1.00 0.40 N ATOM 1447 CA LEU A 145 -7.241 -1.237 2.497 1.00 0.37 C ATOM 1448 C LEU A 145 -8.690 -1.362 2.977 1.00 0.38 C ATOM 1449 O LEU A 145 -9.246 -2.445 3.022 1.00 0.41 O ATOM 1450 CB LEU A 145 -7.178 -1.233 0.964 1.00 0.42 C ATOM 1451 CG LEU A 145 -5.804 -0.700 0.492 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -5.466 -1.288 -0.881 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -5.835 0.833 0.381 1.00 0.52 C ATOM 0 H LEU A 145 -6.225 -3.115 2.357 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.820 -0.298 2.857 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -7.336 -2.242 0.583 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -7.977 -0.611 0.561 1.00 0.42 H new ATOM 0 HG LEU A 145 -5.049 -0.995 1.221 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -4.498 -0.910 -1.210 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -5.427 -2.375 -0.812 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -6.232 -0.998 -1.600 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -4.862 1.193 0.048 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -6.598 1.130 -0.339 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -6.068 1.264 1.355 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.295 -0.264 3.354 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.700 -0.300 3.866 1.00 0.50 C ATOM 1467 C VAL A 146 -11.325 1.097 3.665 1.00 0.59 C ATOM 1468 O VAL A 146 -10.693 2.094 3.952 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.671 -0.609 5.382 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -12.088 -0.593 5.977 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -10.048 -1.987 5.633 1.00 0.56 C ATOM 0 H VAL A 146 -8.872 0.664 3.329 1.00 0.43 H new ATOM 0 HA VAL A 146 -11.276 -1.060 3.338 1.00 0.50 H new ATOM 0 HB VAL A 146 -10.072 0.164 5.863 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -12.037 -0.813 7.043 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.533 0.391 5.830 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.700 -1.346 5.480 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -10.034 -2.191 6.704 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -10.638 -2.751 5.126 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -9.028 -2.001 5.248 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.552 1.187 3.186 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.217 2.509 2.977 1.00 0.81 C ATOM 1483 C PRO A 147 -13.553 3.198 4.311 1.00 0.91 C ATOM 1484 O PRO A 147 -13.491 2.595 5.364 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.494 2.168 2.186 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.777 0.727 2.486 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.428 0.067 2.794 1.00 0.75 C ATOM 0 HA PRO A 147 -12.573 3.213 2.450 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.326 2.803 2.491 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -14.348 2.325 1.117 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.456 0.634 3.334 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -15.260 0.243 1.637 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.518 -0.666 3.596 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -13.035 -0.459 1.924 1.00 0.75 H new ATOM 1780 N LEU A 181 -10.336 4.382 -1.045 1.00 0.58 N ATOM 1781 CA LEU A 181 -9.916 3.477 0.083 1.00 0.52 C ATOM 1782 C LEU A 181 -8.619 3.984 0.718 1.00 0.47 C ATOM 1783 O LEU A 181 -7.791 4.560 0.054 1.00 0.51 O ATOM 1784 CB LEU A 181 -9.694 2.069 -0.468 1.00 0.60 C ATOM 1785 CG LEU A 181 -10.895 1.658 -1.326 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -10.641 0.275 -1.922 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -12.163 1.623 -0.464 1.00 0.87 C ATOM 0 HA LEU A 181 -10.697 3.465 0.843 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -8.782 2.040 -1.064 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -9.561 1.363 0.352 1.00 0.60 H new ATOM 0 HG LEU A 181 -11.030 2.382 -2.129 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -11.494 -0.020 -2.533 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -9.744 0.305 -2.541 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -10.503 -0.448 -1.118 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -13.013 1.330 -1.080 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -12.034 0.902 0.343 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -12.344 2.612 -0.042 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.443 3.771 2.004 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.194 4.236 2.699 1.00 0.45 C ATOM 1801 C GLU A 182 -6.383 3.050 3.217 1.00 0.42 C ATOM 1802 O GLU A 182 -6.911 2.020 3.583 1.00 0.43 O ATOM 1803 CB GLU A 182 -7.574 5.136 3.881 1.00 0.49 C ATOM 1804 CG GLU A 182 -8.426 4.345 4.878 1.00 0.56 C ATOM 1805 CD GLU A 182 -8.885 5.273 6.004 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -8.525 6.438 5.968 1.00 1.62 O ATOM 1807 OE2 GLU A 182 -9.589 4.803 6.883 1.00 1.49 O ATOM 0 H GLU A 182 -9.114 3.293 2.605 1.00 0.45 H new ATOM 0 HA GLU A 182 -6.587 4.789 1.982 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -6.674 5.508 4.371 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -8.126 6.006 3.526 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -9.290 3.914 4.373 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -7.850 3.516 5.288 1.00 0.56 H new ATOM 1814 N TRP A 183 -5.087 3.215 3.253 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.193 2.135 3.748 1.00 0.38 C ATOM 1816 C TRP A 183 -4.279 2.070 5.277 1.00 0.37 C ATOM 1817 O TRP A 183 -3.864 2.983 5.963 1.00 0.43 O ATOM 1818 CB TRP A 183 -2.745 2.461 3.353 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.477 2.070 1.934 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -2.358 0.798 1.487 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.268 2.932 0.777 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -2.082 0.826 0.132 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -2.017 2.117 -0.352 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.270 4.328 0.600 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -1.772 2.665 -1.612 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -2.024 4.885 -0.669 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -1.773 4.053 -1.772 1.00 0.41 C ATOM 0 H TRP A 183 -4.607 4.064 2.956 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.496 1.182 3.315 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -2.560 3.528 3.481 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -2.056 1.936 4.015 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -2.462 -0.092 2.089 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -1.943 -0.007 -0.440 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -2.461 4.976 1.443 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -1.583 2.020 -2.458 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -2.028 5.958 -0.795 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -1.581 4.485 -2.743 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.788 0.997 5.820 1.00 0.35 N ATOM 1839 CA ARG A 184 -4.867 0.882 7.309 1.00 0.35 C ATOM 1840 C ARG A 184 -3.617 0.155 7.805 1.00 0.31 C ATOM 1841 O ARG A 184 -3.560 -1.058 7.845 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.112 0.084 7.703 1.00 0.40 C ATOM 1843 CG ARG A 184 -7.376 0.782 7.179 1.00 0.98 C ATOM 1844 CD ARG A 184 -7.632 2.096 7.935 1.00 1.51 C ATOM 1845 NE ARG A 184 -7.387 1.904 9.394 1.00 1.57 N ATOM 1846 CZ ARG A 184 -7.264 2.940 10.178 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -7.364 4.145 9.688 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -7.043 2.768 11.453 1.00 2.61 N ATOM 0 H ARG A 184 -5.152 0.197 5.302 1.00 0.35 H new ATOM 0 HA ARG A 184 -4.928 1.875 7.755 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -6.050 -0.925 7.296 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -6.164 -0.012 8.788 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -7.268 0.986 6.114 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -8.235 0.120 7.291 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -6.980 2.880 7.549 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -8.658 2.425 7.771 1.00 1.51 H new ATOM 0 HE ARG A 184 -7.316 0.962 9.779 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -7.538 4.278 8.692 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -7.268 4.954 10.301 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -6.967 1.825 11.835 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -6.947 3.576 12.067 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.610 0.897 8.169 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.344 0.274 8.650 1.00 0.31 C ATOM 1864 C PHE A 185 -1.593 -0.455 9.975 1.00 0.31 C ATOM 1865 O PHE A 185 -2.190 0.081 10.888 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.309 1.386 8.857 1.00 0.40 C ATOM 1867 CG PHE A 185 0.954 0.839 9.486 1.00 0.44 C ATOM 1868 CD1 PHE A 185 1.003 0.583 10.865 1.00 0.65 C ATOM 1869 CD2 PHE A 185 2.088 0.609 8.694 1.00 0.62 C ATOM 1870 CE1 PHE A 185 2.181 0.095 11.445 1.00 0.75 C ATOM 1871 CE2 PHE A 185 3.263 0.124 9.277 1.00 0.74 C ATOM 1872 CZ PHE A 185 3.310 -0.133 10.650 1.00 0.71 C ATOM 0 H PHE A 185 -2.609 1.917 8.154 1.00 0.31 H new ATOM 0 HA PHE A 185 -0.980 -0.448 7.918 1.00 0.31 H new ATOM 0 HB2 PHE A 185 -0.072 1.850 7.900 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -0.729 2.165 9.493 1.00 0.40 H new ATOM 0 HD1 PHE A 185 0.133 0.762 11.479 1.00 0.65 H new ATOM 0 HD2 PHE A 185 2.054 0.807 7.633 1.00 0.62 H new ATOM 0 HE1 PHE A 185 2.218 -0.105 12.506 1.00 0.75 H new ATOM 0 HE2 PHE A 185 4.135 -0.052 8.665 1.00 0.74 H new ATOM 0 HZ PHE A 185 4.218 -0.508 11.098 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.143 -1.676 10.082 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.351 -2.452 11.334 1.00 0.32 C ATOM 1884 C ASP A 186 -0.237 -3.496 11.469 1.00 0.30 C ATOM 1885 O ASP A 186 -0.474 -4.682 11.361 1.00 0.32 O ATOM 1886 CB ASP A 186 -2.703 -3.154 11.240 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.160 -3.593 12.632 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -3.050 -2.797 13.550 1.00 1.23 O ATOM 1889 OD2 ASP A 186 -3.613 -4.719 12.758 1.00 1.16 O ATOM 0 H ASP A 186 -0.636 -2.171 9.348 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.331 -1.793 12.202 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.441 -2.483 10.800 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.628 -4.020 10.583 1.00 0.37 H new ATOM 1894 N SER A 187 0.977 -3.053 11.688 1.00 0.33 N ATOM 1895 CA SER A 187 2.131 -4.001 11.818 1.00 0.34 C ATOM 1896 C SER A 187 1.736 -5.215 12.671 1.00 0.35 C ATOM 1897 O SER A 187 2.421 -6.220 12.683 1.00 0.37 O ATOM 1898 CB SER A 187 3.304 -3.272 12.482 1.00 0.40 C ATOM 1899 OG SER A 187 2.807 -2.418 13.503 1.00 1.32 O ATOM 0 H SER A 187 1.221 -2.067 11.783 1.00 0.33 H new ATOM 0 HA SER A 187 2.419 -4.350 10.826 1.00 0.34 H new ATOM 0 HB2 SER A 187 4.004 -3.993 12.904 1.00 0.40 H new ATOM 0 HB3 SER A 187 3.853 -2.691 11.741 1.00 0.40 H new ATOM 0 HG SER A 187 3.403 -2.456 14.280 1.00 1.32 H new ATOM 1905 N ARG A 188 0.646 -5.139 13.385 1.00 0.40 N ATOM 1906 CA ARG A 188 0.230 -6.295 14.226 1.00 0.46 C ATOM 1907 C ARG A 188 -0.053 -7.501 13.326 1.00 0.42 C ATOM 1908 O ARG A 188 0.167 -8.634 13.704 1.00 0.43 O ATOM 1909 CB ARG A 188 -1.039 -5.928 15.005 1.00 0.58 C ATOM 1910 CG ARG A 188 -0.695 -4.967 16.162 1.00 1.40 C ATOM 1911 CD ARG A 188 -0.299 -5.765 17.411 1.00 1.75 C ATOM 1912 NE ARG A 188 0.099 -4.824 18.497 1.00 2.37 N ATOM 1913 CZ ARG A 188 0.173 -5.246 19.730 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -0.110 -6.487 20.014 1.00 3.19 N ATOM 1915 NH2 ARG A 188 0.527 -4.424 20.679 1.00 3.87 N ATOM 0 H ARG A 188 0.028 -4.329 13.422 1.00 0.40 H new ATOM 0 HA ARG A 188 1.027 -6.543 14.927 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -1.762 -5.460 14.337 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -1.506 -6.830 15.399 1.00 0.58 H new ATOM 0 HG2 ARG A 188 0.122 -4.309 15.867 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -1.552 -4.331 16.384 1.00 1.40 H new ATOM 0 HD2 ARG A 188 -1.134 -6.384 17.740 1.00 1.75 H new ATOM 0 HD3 ARG A 188 0.526 -6.439 17.179 1.00 1.75 H new ATOM 0 HE ARG A 188 0.313 -3.851 18.277 1.00 2.37 H new ATOM 0 HH11 ARG A 188 -0.389 -7.129 19.272 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -0.052 -6.816 20.978 1.00 3.19 H new ATOM 0 HH21 ARG A 188 0.746 -3.453 20.457 1.00 3.87 H new ATOM 0 HH22 ARG A 188 0.585 -4.753 21.643 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.522 -7.266 12.130 1.00 0.43 N ATOM 1930 CA LEU A 189 -0.797 -8.399 11.204 1.00 0.46 C ATOM 1931 C LEU A 189 0.518 -9.113 10.899 1.00 0.41 C ATOM 1932 O LEU A 189 0.559 -10.077 10.161 1.00 0.46 O ATOM 1933 CB LEU A 189 -1.411 -7.872 9.902 1.00 0.57 C ATOM 1934 CG LEU A 189 -2.786 -7.245 10.182 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -3.299 -6.576 8.902 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -3.788 -8.325 10.641 1.00 1.78 C ATOM 0 H LEU A 189 -0.726 -6.339 11.756 1.00 0.43 H new ATOM 0 HA LEU A 189 -1.499 -9.092 11.668 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -0.750 -7.131 9.453 1.00 0.57 H new ATOM 0 HB3 LEU A 189 -1.513 -8.685 9.184 1.00 0.57 H new ATOM 0 HG LEU A 189 -2.687 -6.505 10.976 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -4.275 -6.128 9.091 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -2.598 -5.801 8.590 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -3.389 -7.322 8.113 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -4.756 -7.864 10.835 1.00 1.78 H new ATOM 0 HD22 LEU A 189 -3.894 -9.078 9.860 1.00 1.78 H new ATOM 0 HD23 LEU A 189 -3.422 -8.797 11.553 1.00 1.78 H new ATOM 1948 N ALA A 190 1.597 -8.647 11.468 1.00 0.37 N ATOM 1949 CA ALA A 190 2.910 -9.297 11.219 1.00 0.42 C ATOM 1950 C ALA A 190 2.954 -10.621 11.976 1.00 0.44 C ATOM 1951 O ALA A 190 3.942 -11.328 11.957 1.00 0.53 O ATOM 1952 CB ALA A 190 4.032 -8.389 11.723 1.00 0.47 C ATOM 0 H ALA A 190 1.623 -7.843 12.095 1.00 0.37 H new ATOM 0 HA ALA A 190 3.040 -9.473 10.151 1.00 0.42 H new ATOM 0 HB1 ALA A 190 4.995 -8.865 11.541 1.00 0.47 H new ATOM 0 HB2 ALA A 190 3.993 -7.436 11.196 1.00 0.47 H new ATOM 0 HB3 ALA A 190 3.909 -8.218 12.792 1.00 0.47 H new ATOM 1958 N PHE A 191 1.881 -10.961 12.653 1.00 0.42 N ATOM 1959 CA PHE A 191 1.847 -12.242 13.429 1.00 0.51 C ATOM 1960 C PHE A 191 0.510 -12.956 13.217 1.00 0.56 C ATOM 1961 O PHE A 191 0.199 -13.913 13.899 1.00 0.96 O ATOM 1962 CB PHE A 191 2.016 -11.933 14.918 1.00 0.58 C ATOM 1963 CG PHE A 191 3.390 -11.357 15.162 1.00 1.14 C ATOM 1964 CD1 PHE A 191 4.492 -12.208 15.295 1.00 1.81 C ATOM 1965 CD2 PHE A 191 3.562 -9.971 15.252 1.00 1.98 C ATOM 1966 CE1 PHE A 191 5.767 -11.674 15.520 1.00 2.75 C ATOM 1967 CE2 PHE A 191 4.836 -9.436 15.477 1.00 2.87 C ATOM 1968 CZ PHE A 191 5.939 -10.289 15.611 1.00 3.15 C ATOM 0 H PHE A 191 1.027 -10.405 12.701 1.00 0.42 H new ATOM 0 HA PHE A 191 2.655 -12.887 13.083 1.00 0.51 H new ATOM 0 HB2 PHE A 191 1.252 -11.227 15.242 1.00 0.58 H new ATOM 0 HB3 PHE A 191 1.881 -12.841 15.506 1.00 0.58 H new ATOM 0 HD1 PHE A 191 4.360 -13.278 15.224 1.00 1.81 H new ATOM 0 HD2 PHE A 191 2.711 -9.314 15.148 1.00 1.98 H new ATOM 0 HE1 PHE A 191 6.617 -12.332 15.623 1.00 2.75 H new ATOM 0 HE2 PHE A 191 4.968 -8.366 15.547 1.00 2.87 H new ATOM 0 HZ PHE A 191 6.922 -9.877 15.785 1.00 3.15 H new ATOM 1978 N HIS A 192 -0.288 -12.511 12.283 1.00 0.64 N ATOM 1979 CA HIS A 192 -1.601 -13.185 12.053 1.00 0.72 C ATOM 1980 C HIS A 192 -2.078 -12.934 10.619 1.00 0.67 C ATOM 1981 O HIS A 192 -2.572 -11.873 10.296 1.00 1.26 O ATOM 1982 CB HIS A 192 -2.633 -12.637 13.042 1.00 1.01 C ATOM 1983 CG HIS A 192 -2.346 -13.176 14.418 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -2.754 -14.440 14.815 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -1.688 -12.638 15.497 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -2.343 -14.619 16.084 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -1.689 -13.551 16.548 1.00 3.35 N ATOM 0 H HIS A 192 -0.091 -11.717 11.674 1.00 0.64 H new ATOM 0 HA HIS A 192 -1.484 -14.258 12.203 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -2.600 -11.548 13.052 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -3.638 -12.922 12.731 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -1.238 -11.656 15.526 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -2.520 -15.517 16.657 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -1.278 -13.430 17.474 1.00 3.35 H new ATOM 1995 N HIS A 193 -1.945 -13.912 9.762 1.00 0.77 N ATOM 1996 CA HIS A 193 -2.402 -13.743 8.353 1.00 0.85 C ATOM 1997 C HIS A 193 -3.933 -13.755 8.327 1.00 0.74 C ATOM 1998 O HIS A 193 -4.553 -14.773 8.095 1.00 0.78 O ATOM 1999 CB HIS A 193 -1.862 -14.893 7.504 1.00 1.28 C ATOM 2000 CG HIS A 193 -2.059 -14.581 6.047 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -1.474 -15.339 5.045 1.00 2.84 N ATOM 2002 CD2 HIS A 193 -2.766 -13.595 5.406 1.00 2.99 C ATOM 2003 CE1 HIS A 193 -1.836 -14.802 3.866 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -2.623 -13.736 4.029 1.00 3.87 N ATOM 0 H HIS A 193 -1.539 -14.822 9.979 1.00 0.77 H new ATOM 0 HA HIS A 193 -2.035 -12.799 7.951 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -0.803 -15.047 7.713 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -2.375 -15.820 7.760 1.00 1.28 H new ATOM 0 HD1 HIS A 193 -0.877 -16.156 5.177 1.00 2.84 H new ATOM 0 HD2 HIS A 193 -3.345 -12.826 5.896 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -1.528 -15.186 2.905 1.00 3.75 H new ATOM 2012 N MET A 194 -4.537 -12.628 8.578 1.00 0.73 N ATOM 2013 CA MET A 194 -6.025 -12.540 8.596 1.00 0.79 C ATOM 2014 C MET A 194 -6.611 -13.230 7.364 1.00 0.75 C ATOM 2015 O MET A 194 -7.477 -14.075 7.466 1.00 0.90 O ATOM 2016 CB MET A 194 -6.444 -11.062 8.611 1.00 0.91 C ATOM 2017 CG MET A 194 -7.877 -10.922 9.136 1.00 1.47 C ATOM 2018 SD MET A 194 -9.035 -11.662 7.959 1.00 2.35 S ATOM 2019 CE MET A 194 -10.550 -11.278 8.868 1.00 2.94 C ATOM 0 H MET A 194 -4.056 -11.750 8.775 1.00 0.73 H new ATOM 0 HA MET A 194 -6.403 -13.039 9.488 1.00 0.79 H new ATOM 0 HB2 MET A 194 -5.762 -10.490 9.239 1.00 0.91 H new ATOM 0 HB3 MET A 194 -6.375 -10.647 7.605 1.00 0.91 H new ATOM 0 HG2 MET A 194 -7.968 -11.411 10.106 1.00 1.47 H new ATOM 0 HG3 MET A 194 -8.118 -9.870 9.285 1.00 1.47 H new ATOM 0 HE1 MET A 194 -11.411 -11.651 8.314 1.00 2.94 H new ATOM 0 HE2 MET A 194 -10.516 -11.753 9.849 1.00 2.94 H new ATOM 0 HE3 MET A 194 -10.637 -10.198 8.990 1.00 2.94 H new ATOM 2029 N ALA A 195 -6.160 -12.870 6.200 1.00 0.66 N ATOM 2030 CA ALA A 195 -6.712 -13.501 4.974 1.00 0.76 C ATOM 2031 C ALA A 195 -6.647 -15.024 5.099 1.00 0.90 C ATOM 2032 O ALA A 195 -7.652 -15.694 5.101 1.00 1.11 O ATOM 2033 CB ALA A 195 -5.908 -13.045 3.750 1.00 0.82 C ATOM 0 H ALA A 195 -5.436 -12.169 6.044 1.00 0.66 H new ATOM 0 HA ALA A 195 -7.752 -13.198 4.853 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -6.316 -13.510 2.853 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -5.970 -11.961 3.657 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -4.865 -13.340 3.869 1.00 0.82 H new