USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=20 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 -107:sc= 0.231 USER MOD Set 1.2: A 89 HIS : no HE2:sc= -2.55! C(o=-7.7!,f=-13!) USER MOD Set 1.3: A 142 CYS SG : rot 51:sc= -3.52! USER MOD Set 1.4: A 187 SER OG : rot -114:sc= -1.84! USER MOD Set 2.1: A 107 GLN : amide:sc= -4.41! C(o=-4!,f=-6.2!) USER MOD Set 2.2: A 125 GLN : amide:sc= 0.202 X(o=-4,f=-4.1) USER MOD Set 2.3: A 127 TYR OH : rot -80:sc= 0.224 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= -3.77! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 160:sc= -0.11 (180deg=-0.887) USER MOD Single : A 92 LYS NZ :NH3+ 158:sc= 0.774 (180deg=-0.0987) USER MOD Single : A 94 LYS NZ :NH3+ -153:sc= -0.241 (180deg=-1.22!) USER MOD Single : A 102 HIS : no HD1:sc= -4.36! C(o=-4.4!,f=-9.3!) USER MOD Single : A 103 SER OG : rot 142:sc= 0.355 USER MOD Single : A 104 GLN : amide:sc= -0.0654 X(o=-0.065,f=-0.29) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -1.42! C(o=-1.4!,f=-4!) USER MOD Single : A 117 THR OG1 : rot -94:sc= 0.931 USER MOD Single : A 118 GLN : amide:sc= -4.4! C(o=-4.4!,f=-6.4!) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 ASN : amide:sc= -4.91! K(o=-4.9!,f=-1.3) USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot -126:sc= 0.618 USER MOD Single : A 143 TYR OH : rot 144:sc= 1.24 USER MOD Single : A 144 LYS NZ :NH3+ -157:sc= 1.07 (180deg=0.454) USER MOD Single : A 192 HIS : no HD1:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 193 HIS : no HD1:sc= -0.845 K(o=-0.84,f=-0.29) USER MOD Single : A 194 MET CE :methyl -154:sc= -0.456 (180deg=-1.05) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 19.513 0.788 -9.186 1.00 1.04 N ATOM 275 CA VAL A 74 19.786 0.138 -7.865 1.00 0.93 C ATOM 276 C VAL A 74 19.976 -1.372 -8.083 1.00 0.86 C ATOM 277 O VAL A 74 19.448 -1.929 -9.025 1.00 0.89 O ATOM 278 CB VAL A 74 18.596 0.398 -6.928 1.00 1.09 C ATOM 279 CG1 VAL A 74 18.719 1.797 -6.316 1.00 1.17 C ATOM 280 CG2 VAL A 74 17.292 0.322 -7.728 1.00 1.38 C ATOM 0 HA VAL A 74 20.690 0.549 -7.415 1.00 0.93 H new ATOM 0 HB VAL A 74 18.592 -0.352 -6.137 1.00 1.09 H new ATOM 0 HG11 VAL A 74 17.874 1.979 -5.652 1.00 1.17 H new ATOM 0 HG12 VAL A 74 19.647 1.866 -5.749 1.00 1.17 H new ATOM 0 HG13 VAL A 74 18.723 2.543 -7.111 1.00 1.17 H new ATOM 0 HG21 VAL A 74 16.447 0.506 -7.065 1.00 1.38 H new ATOM 0 HG22 VAL A 74 17.305 1.074 -8.517 1.00 1.38 H new ATOM 0 HG23 VAL A 74 17.195 -0.668 -8.173 1.00 1.38 H new ATOM 290 N PRO A 75 20.712 -2.040 -7.224 1.00 0.93 N ATOM 291 CA PRO A 75 20.943 -3.512 -7.352 1.00 1.00 C ATOM 292 C PRO A 75 19.652 -4.307 -7.103 1.00 0.88 C ATOM 293 O PRO A 75 19.008 -4.155 -6.084 1.00 0.84 O ATOM 294 CB PRO A 75 21.999 -3.814 -6.275 1.00 1.18 C ATOM 295 CG PRO A 75 21.845 -2.721 -5.266 1.00 1.37 C ATOM 296 CD PRO A 75 21.405 -1.481 -6.047 1.00 1.13 C ATOM 0 HA PRO A 75 21.268 -3.798 -8.352 1.00 1.00 H new ATOM 0 HB2 PRO A 75 21.835 -4.793 -5.825 1.00 1.18 H new ATOM 0 HB3 PRO A 75 23.003 -3.822 -6.698 1.00 1.18 H new ATOM 0 HG2 PRO A 75 21.106 -2.989 -4.511 1.00 1.37 H new ATOM 0 HG3 PRO A 75 22.783 -2.539 -4.742 1.00 1.37 H new ATOM 0 HD2 PRO A 75 20.743 -0.848 -5.455 1.00 1.13 H new ATOM 0 HD3 PRO A 75 22.257 -0.867 -6.338 1.00 1.13 H new ATOM 304 N LEU A 76 19.268 -5.145 -8.027 1.00 0.86 N ATOM 305 CA LEU A 76 18.016 -5.934 -7.838 1.00 0.77 C ATOM 306 C LEU A 76 18.166 -6.852 -6.622 1.00 0.77 C ATOM 307 O LEU A 76 18.709 -7.936 -6.711 1.00 0.85 O ATOM 308 CB LEU A 76 17.746 -6.783 -9.089 1.00 0.84 C ATOM 309 CG LEU A 76 17.155 -5.912 -10.211 1.00 0.87 C ATOM 310 CD1 LEU A 76 17.224 -6.686 -11.531 1.00 1.01 C ATOM 311 CD2 LEU A 76 15.684 -5.552 -9.907 1.00 0.76 C ATOM 0 H LEU A 76 19.764 -5.318 -8.901 1.00 0.86 H new ATOM 0 HA LEU A 76 17.182 -5.251 -7.677 1.00 0.77 H new ATOM 0 HB2 LEU A 76 18.672 -7.246 -9.429 1.00 0.84 H new ATOM 0 HB3 LEU A 76 17.056 -7.591 -8.846 1.00 0.84 H new ATOM 0 HG LEU A 76 17.731 -4.989 -10.282 1.00 0.87 H new ATOM 0 HD11 LEU A 76 16.807 -6.076 -12.333 1.00 1.01 H new ATOM 0 HD12 LEU A 76 18.263 -6.924 -11.759 1.00 1.01 H new ATOM 0 HD13 LEU A 76 16.651 -7.609 -11.442 1.00 1.01 H new ATOM 0 HD21 LEU A 76 15.286 -4.936 -10.713 1.00 0.76 H new ATOM 0 HD22 LEU A 76 15.095 -6.466 -9.824 1.00 0.76 H new ATOM 0 HD23 LEU A 76 15.631 -5.000 -8.969 1.00 0.76 H new ATOM 323 N ARG A 77 17.674 -6.430 -5.489 1.00 0.74 N ATOM 324 CA ARG A 77 17.765 -7.277 -4.265 1.00 0.79 C ATOM 325 C ARG A 77 16.562 -8.231 -4.228 1.00 0.71 C ATOM 326 O ARG A 77 15.513 -7.917 -4.754 1.00 0.73 O ATOM 327 CB ARG A 77 17.739 -6.372 -3.029 1.00 0.85 C ATOM 328 CG ARG A 77 19.101 -5.695 -2.862 1.00 1.19 C ATOM 329 CD ARG A 77 19.060 -4.755 -1.656 1.00 1.52 C ATOM 330 NE ARG A 77 18.166 -3.601 -1.955 1.00 2.13 N ATOM 331 CZ ARG A 77 17.740 -2.838 -0.986 1.00 2.66 C ATOM 332 NH1 ARG A 77 18.099 -3.086 0.244 1.00 2.73 N ATOM 333 NH2 ARG A 77 16.957 -1.828 -1.246 1.00 3.61 N ATOM 0 H ARG A 77 17.211 -5.531 -5.358 1.00 0.74 H new ATOM 0 HA ARG A 77 18.690 -7.854 -4.276 1.00 0.79 H new ATOM 0 HB2 ARG A 77 16.957 -5.619 -3.133 1.00 0.85 H new ATOM 0 HB3 ARG A 77 17.501 -6.958 -2.141 1.00 0.85 H new ATOM 0 HG2 ARG A 77 19.878 -6.447 -2.724 1.00 1.19 H new ATOM 0 HG3 ARG A 77 19.354 -5.137 -3.763 1.00 1.19 H new ATOM 0 HD2 ARG A 77 18.700 -5.290 -0.777 1.00 1.52 H new ATOM 0 HD3 ARG A 77 20.064 -4.400 -1.424 1.00 1.52 H new ATOM 0 HE ARG A 77 17.887 -3.408 -2.917 1.00 2.13 H new ATOM 0 HH11 ARG A 77 18.712 -3.876 0.447 1.00 2.73 H new ATOM 0 HH12 ARG A 77 17.767 -2.490 1.002 1.00 2.73 H new ATOM 0 HH21 ARG A 77 16.677 -1.634 -2.207 1.00 3.61 H new ATOM 0 HH22 ARG A 77 16.624 -1.232 -0.488 1.00 3.61 H new ATOM 347 N PRO A 78 16.694 -9.377 -3.606 1.00 0.79 N ATOM 348 CA PRO A 78 15.571 -10.357 -3.504 1.00 0.76 C ATOM 349 C PRO A 78 14.500 -9.870 -2.520 1.00 0.67 C ATOM 350 O PRO A 78 14.790 -9.561 -1.383 1.00 0.69 O ATOM 351 CB PRO A 78 16.255 -11.633 -2.992 1.00 0.86 C ATOM 352 CG PRO A 78 17.440 -11.145 -2.223 1.00 1.18 C ATOM 353 CD PRO A 78 17.910 -9.871 -2.932 1.00 1.06 C ATOM 0 HA PRO A 78 15.051 -10.506 -4.450 1.00 0.76 H new ATOM 0 HB2 PRO A 78 15.585 -12.215 -2.360 1.00 0.86 H new ATOM 0 HB3 PRO A 78 16.557 -12.279 -3.817 1.00 0.86 H new ATOM 0 HG2 PRO A 78 17.174 -10.939 -1.186 1.00 1.18 H new ATOM 0 HG3 PRO A 78 18.230 -11.896 -2.206 1.00 1.18 H new ATOM 0 HD2 PRO A 78 18.301 -9.140 -2.224 1.00 1.06 H new ATOM 0 HD3 PRO A 78 18.706 -10.081 -3.646 1.00 1.06 H new ATOM 361 N MET A 79 13.269 -9.778 -2.949 1.00 0.65 N ATOM 362 CA MET A 79 12.202 -9.291 -2.027 1.00 0.61 C ATOM 363 C MET A 79 12.043 -10.285 -0.870 1.00 0.51 C ATOM 364 O MET A 79 11.473 -11.347 -1.022 1.00 0.56 O ATOM 365 CB MET A 79 10.879 -9.151 -2.806 1.00 0.66 C ATOM 366 CG MET A 79 9.988 -8.089 -2.148 1.00 0.74 C ATOM 367 SD MET A 79 9.764 -8.479 -0.394 1.00 1.25 S ATOM 368 CE MET A 79 9.380 -6.801 0.165 1.00 0.83 C ATOM 0 H MET A 79 12.958 -10.017 -3.891 1.00 0.65 H new ATOM 0 HA MET A 79 12.474 -8.317 -1.620 1.00 0.61 H new ATOM 0 HB2 MET A 79 11.085 -8.874 -3.840 1.00 0.66 H new ATOM 0 HB3 MET A 79 10.359 -10.109 -2.830 1.00 0.66 H new ATOM 0 HG2 MET A 79 10.441 -7.103 -2.256 1.00 0.74 H new ATOM 0 HG3 MET A 79 9.020 -8.052 -2.648 1.00 0.74 H new ATOM 0 HE1 MET A 79 9.202 -6.807 1.240 1.00 0.83 H new ATOM 0 HE2 MET A 79 10.218 -6.142 -0.060 1.00 0.83 H new ATOM 0 HE3 MET A 79 8.488 -6.442 -0.348 1.00 0.83 H new ATOM 378 N THR A 80 12.561 -9.946 0.284 1.00 0.56 N ATOM 379 CA THR A 80 12.464 -10.865 1.457 1.00 0.60 C ATOM 380 C THR A 80 11.187 -10.613 2.242 1.00 0.56 C ATOM 381 O THR A 80 10.865 -9.495 2.582 1.00 0.50 O ATOM 382 CB THR A 80 13.667 -10.649 2.379 1.00 0.77 C ATOM 383 OG1 THR A 80 13.670 -9.312 2.849 1.00 0.94 O ATOM 384 CG2 THR A 80 14.960 -10.927 1.611 1.00 0.73 C ATOM 0 H THR A 80 13.049 -9.068 0.464 1.00 0.56 H new ATOM 0 HA THR A 80 12.452 -11.890 1.087 1.00 0.60 H new ATOM 0 HB THR A 80 13.599 -11.330 3.227 1.00 0.77 H new ATOM 0 HG1 THR A 80 14.439 -9.175 3.440 1.00 0.94 H new ATOM 0 HG21 THR A 80 15.815 -10.773 2.270 1.00 0.73 H new ATOM 0 HG22 THR A 80 14.958 -11.957 1.255 1.00 0.73 H new ATOM 0 HG23 THR A 80 15.031 -10.250 0.760 1.00 0.73 H new ATOM 392 N TYR A 81 10.469 -11.657 2.579 1.00 0.61 N ATOM 393 CA TYR A 81 9.242 -11.467 3.399 1.00 0.60 C ATOM 394 C TYR A 81 9.689 -10.637 4.602 1.00 0.51 C ATOM 395 O TYR A 81 8.999 -9.756 5.077 1.00 0.45 O ATOM 396 CB TYR A 81 8.695 -12.857 3.822 1.00 0.69 C ATOM 397 CG TYR A 81 8.388 -12.917 5.307 1.00 0.60 C ATOM 398 CD1 TYR A 81 7.168 -12.434 5.794 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.330 -13.457 6.191 1.00 0.71 C ATOM 400 CE1 TYR A 81 6.890 -12.490 7.166 1.00 0.66 C ATOM 401 CE2 TYR A 81 9.051 -13.515 7.562 1.00 0.77 C ATOM 402 CZ TYR A 81 7.832 -13.032 8.049 1.00 0.73 C ATOM 403 OH TYR A 81 7.558 -13.090 9.402 1.00 0.90 O ATOM 0 H TYR A 81 10.680 -12.621 2.323 1.00 0.61 H new ATOM 0 HA TYR A 81 8.438 -10.962 2.864 1.00 0.60 H new ATOM 0 HB2 TYR A 81 7.791 -13.079 3.255 1.00 0.69 H new ATOM 0 HB3 TYR A 81 9.425 -13.626 3.571 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.441 -12.018 5.112 1.00 0.59 H new ATOM 0 HD2 TYR A 81 10.272 -13.829 5.815 1.00 0.71 H new ATOM 0 HE1 TYR A 81 5.950 -12.115 7.542 1.00 0.66 H new ATOM 0 HE2 TYR A 81 9.777 -13.933 8.244 1.00 0.77 H new ATOM 0 HH TYR A 81 8.316 -13.495 9.872 1.00 0.90 H new ATOM 413 N LYS A 82 10.884 -10.905 5.047 1.00 0.52 N ATOM 414 CA LYS A 82 11.460 -10.139 6.169 1.00 0.48 C ATOM 415 C LYS A 82 11.583 -8.674 5.740 1.00 0.40 C ATOM 416 O LYS A 82 11.395 -7.774 6.533 1.00 0.38 O ATOM 417 CB LYS A 82 12.848 -10.708 6.517 1.00 0.55 C ATOM 418 CG LYS A 82 13.213 -10.381 7.979 1.00 0.60 C ATOM 419 CD LYS A 82 12.649 -11.456 8.916 1.00 0.92 C ATOM 420 CE LYS A 82 12.951 -11.077 10.367 1.00 1.49 C ATOM 421 NZ LYS A 82 12.336 -9.756 10.674 1.00 2.32 N ATOM 0 H LYS A 82 11.489 -11.635 4.671 1.00 0.52 H new ATOM 0 HA LYS A 82 10.821 -10.212 7.049 1.00 0.48 H new ATOM 0 HB2 LYS A 82 12.853 -11.788 6.367 1.00 0.55 H new ATOM 0 HB3 LYS A 82 13.598 -10.289 5.846 1.00 0.55 H new ATOM 0 HG2 LYS A 82 14.296 -10.325 8.088 1.00 0.60 H new ATOM 0 HG3 LYS A 82 12.814 -9.404 8.252 1.00 0.60 H new ATOM 0 HD2 LYS A 82 11.573 -11.552 8.770 1.00 0.92 H new ATOM 0 HD3 LYS A 82 13.090 -12.425 8.683 1.00 0.92 H new ATOM 0 HE2 LYS A 82 12.559 -11.838 11.042 1.00 1.49 H new ATOM 0 HE3 LYS A 82 14.028 -11.034 10.526 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 12.239 -9.649 11.704 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 12.941 -8.996 10.302 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 11.397 -9.699 10.230 1.00 2.32 H new ATOM 435 N ALA A 83 11.898 -8.417 4.485 1.00 0.42 N ATOM 436 CA ALA A 83 12.019 -6.987 4.058 1.00 0.41 C ATOM 437 C ALA A 83 10.642 -6.316 4.130 1.00 0.35 C ATOM 438 O ALA A 83 10.531 -5.125 4.343 1.00 0.34 O ATOM 439 CB ALA A 83 12.572 -6.889 2.628 1.00 0.52 C ATOM 0 H ALA A 83 12.071 -9.115 3.761 1.00 0.42 H new ATOM 0 HA ALA A 83 12.712 -6.479 4.728 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.651 -5.841 2.340 1.00 0.52 H new ATOM 0 HB2 ALA A 83 13.558 -7.352 2.587 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.900 -7.404 1.942 1.00 0.52 H new ATOM 445 N ALA A 84 9.592 -7.072 3.954 1.00 0.34 N ATOM 446 CA ALA A 84 8.223 -6.481 4.010 1.00 0.31 C ATOM 447 C ALA A 84 7.939 -5.949 5.418 1.00 0.28 C ATOM 448 O ALA A 84 7.558 -4.809 5.595 1.00 0.28 O ATOM 449 CB ALA A 84 7.193 -7.555 3.661 1.00 0.34 C ATOM 0 H ALA A 84 9.623 -8.075 3.773 1.00 0.34 H new ATOM 0 HA ALA A 84 8.159 -5.660 3.296 1.00 0.31 H new ATOM 0 HB1 ALA A 84 6.192 -7.126 3.701 1.00 0.34 H new ATOM 0 HB2 ALA A 84 7.386 -7.932 2.657 1.00 0.34 H new ATOM 0 HB3 ALA A 84 7.265 -8.375 4.376 1.00 0.34 H new ATOM 455 N VAL A 85 8.110 -6.767 6.421 1.00 0.29 N ATOM 456 CA VAL A 85 7.835 -6.307 7.813 1.00 0.29 C ATOM 457 C VAL A 85 8.788 -5.171 8.181 1.00 0.29 C ATOM 458 O VAL A 85 8.383 -4.166 8.731 1.00 0.30 O ATOM 459 CB VAL A 85 8.024 -7.477 8.787 1.00 0.33 C ATOM 460 CG1 VAL A 85 7.314 -7.170 10.110 1.00 0.37 C ATOM 461 CG2 VAL A 85 7.429 -8.747 8.172 1.00 0.38 C ATOM 0 H VAL A 85 8.428 -7.733 6.337 1.00 0.29 H new ATOM 0 HA VAL A 85 6.808 -5.946 7.876 1.00 0.29 H new ATOM 0 HB VAL A 85 9.088 -7.623 8.976 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.451 -8.004 10.799 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.735 -6.265 10.548 1.00 0.37 H new ATOM 0 HG13 VAL A 85 6.250 -7.022 9.926 1.00 0.37 H new ATOM 0 HG21 VAL A 85 7.561 -9.581 8.861 1.00 0.38 H new ATOM 0 HG22 VAL A 85 6.366 -8.597 7.984 1.00 0.38 H new ATOM 0 HG23 VAL A 85 7.936 -8.968 7.233 1.00 0.38 H new ATOM 471 N ASP A 86 10.046 -5.311 7.879 1.00 0.30 N ATOM 472 CA ASP A 86 11.001 -4.224 8.214 1.00 0.32 C ATOM 473 C ASP A 86 10.556 -2.956 7.487 1.00 0.30 C ATOM 474 O ASP A 86 10.436 -1.898 8.073 1.00 0.31 O ATOM 475 CB ASP A 86 12.409 -4.616 7.756 1.00 0.36 C ATOM 476 CG ASP A 86 13.002 -5.633 8.734 1.00 0.42 C ATOM 477 OD1 ASP A 86 13.478 -5.215 9.776 1.00 1.05 O ATOM 478 OD2 ASP A 86 12.969 -6.813 8.423 1.00 1.23 O ATOM 0 H ASP A 86 10.452 -6.125 7.418 1.00 0.30 H new ATOM 0 HA ASP A 86 11.017 -4.054 9.291 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.371 -5.040 6.753 1.00 0.36 H new ATOM 0 HB3 ASP A 86 13.045 -3.732 7.704 1.00 0.36 H new ATOM 483 N LEU A 87 10.294 -3.062 6.215 1.00 0.29 N ATOM 484 CA LEU A 87 9.837 -1.874 5.446 1.00 0.30 C ATOM 485 C LEU A 87 8.502 -1.385 6.012 1.00 0.29 C ATOM 486 O LEU A 87 8.223 -0.204 6.035 1.00 0.30 O ATOM 487 CB LEU A 87 9.656 -2.258 3.976 1.00 0.33 C ATOM 488 CG LEU A 87 9.491 -0.994 3.116 1.00 0.42 C ATOM 489 CD1 LEU A 87 10.828 -0.231 3.003 1.00 0.52 C ATOM 490 CD2 LEU A 87 9.012 -1.406 1.719 1.00 0.44 C ATOM 0 H LEU A 87 10.377 -3.923 5.674 1.00 0.29 H new ATOM 0 HA LEU A 87 10.580 -1.080 5.526 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.518 -2.831 3.633 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.782 -2.900 3.865 1.00 0.33 H new ATOM 0 HG LEU A 87 8.761 -0.335 3.586 1.00 0.42 H new ATOM 0 HD11 LEU A 87 10.688 0.660 2.390 1.00 0.52 H new ATOM 0 HD12 LEU A 87 11.165 0.062 3.997 1.00 0.52 H new ATOM 0 HD13 LEU A 87 11.577 -0.875 2.541 1.00 0.52 H new ATOM 0 HD21 LEU A 87 8.891 -0.518 1.099 1.00 0.44 H new ATOM 0 HD22 LEU A 87 9.747 -2.069 1.263 1.00 0.44 H new ATOM 0 HD23 LEU A 87 8.057 -1.925 1.800 1.00 0.44 H new ATOM 502 N SER A 88 7.670 -2.288 6.461 1.00 0.30 N ATOM 503 CA SER A 88 6.352 -1.869 7.015 1.00 0.34 C ATOM 504 C SER A 88 6.552 -0.765 8.052 1.00 0.33 C ATOM 505 O SER A 88 5.961 0.293 7.963 1.00 0.36 O ATOM 506 CB SER A 88 5.674 -3.072 7.671 1.00 0.40 C ATOM 507 OG SER A 88 6.188 -3.242 8.984 1.00 0.44 O ATOM 0 H SER A 88 7.846 -3.293 6.468 1.00 0.30 H new ATOM 0 HA SER A 88 5.725 -1.490 6.208 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.595 -2.921 7.707 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.850 -3.971 7.080 1.00 0.40 H new ATOM 0 HG SER A 88 6.783 -4.021 9.004 1.00 0.44 H new ATOM 513 N HIS A 89 7.370 -0.998 9.040 1.00 0.34 N ATOM 514 CA HIS A 89 7.587 0.047 10.078 1.00 0.36 C ATOM 515 C HIS A 89 8.399 1.201 9.490 1.00 0.36 C ATOM 516 O HIS A 89 8.271 2.334 9.909 1.00 0.41 O ATOM 517 CB HIS A 89 8.345 -0.553 11.267 1.00 0.41 C ATOM 518 CG HIS A 89 7.424 -1.435 12.064 1.00 0.52 C ATOM 519 ND1 HIS A 89 6.815 -1.001 13.231 1.00 1.43 N ATOM 520 CD2 HIS A 89 7.007 -2.730 11.883 1.00 1.01 C ATOM 521 CE1 HIS A 89 6.072 -2.018 13.703 1.00 1.27 C ATOM 522 NE2 HIS A 89 6.153 -3.096 12.918 1.00 0.82 N ATOM 0 H HIS A 89 7.895 -1.862 9.173 1.00 0.34 H new ATOM 0 HA HIS A 89 6.619 0.419 10.414 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.199 -1.130 10.912 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.738 0.243 11.899 1.00 0.41 H new ATOM 0 HD1 HIS A 89 6.913 -0.078 13.655 1.00 1.43 H new ATOM 0 HD2 HIS A 89 7.298 -3.368 11.062 1.00 1.01 H new ATOM 0 HE1 HIS A 89 5.482 -1.969 14.606 1.00 1.27 H new ATOM 530 N PHE A 90 9.231 0.934 8.521 1.00 0.34 N ATOM 531 CA PHE A 90 10.033 2.036 7.922 1.00 0.37 C ATOM 532 C PHE A 90 9.079 3.101 7.387 1.00 0.40 C ATOM 533 O PHE A 90 9.100 4.239 7.811 1.00 0.47 O ATOM 534 CB PHE A 90 10.889 1.493 6.776 1.00 0.38 C ATOM 535 CG PHE A 90 11.827 2.576 6.297 1.00 0.47 C ATOM 536 CD1 PHE A 90 11.407 3.478 5.313 1.00 0.59 C ATOM 537 CD2 PHE A 90 13.112 2.680 6.841 1.00 0.57 C ATOM 538 CE1 PHE A 90 12.275 4.485 4.870 1.00 0.70 C ATOM 539 CE2 PHE A 90 13.979 3.687 6.400 1.00 0.69 C ATOM 540 CZ PHE A 90 13.560 4.590 5.415 1.00 0.72 C ATOM 0 H PHE A 90 9.389 0.009 8.121 1.00 0.34 H new ATOM 0 HA PHE A 90 10.689 2.467 8.678 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.458 0.625 7.111 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.252 1.160 5.957 1.00 0.38 H new ATOM 0 HD1 PHE A 90 10.414 3.398 4.895 1.00 0.59 H new ATOM 0 HD2 PHE A 90 13.435 1.984 7.601 1.00 0.57 H new ATOM 0 HE1 PHE A 90 11.953 5.180 4.108 1.00 0.70 H new ATOM 0 HE2 PHE A 90 14.971 3.767 6.819 1.00 0.69 H new ATOM 0 HZ PHE A 90 14.228 5.368 5.076 1.00 0.72 H new ATOM 550 N LEU A 91 8.233 2.736 6.464 1.00 0.37 N ATOM 551 CA LEU A 91 7.269 3.724 5.908 1.00 0.42 C ATOM 552 C LEU A 91 6.391 4.263 7.038 1.00 0.47 C ATOM 553 O LEU A 91 5.896 5.369 6.974 1.00 0.57 O ATOM 554 CB LEU A 91 6.388 3.045 4.854 1.00 0.41 C ATOM 555 CG LEU A 91 7.204 2.780 3.575 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.489 1.724 2.727 1.00 0.42 C ATOM 557 CD2 LEU A 91 7.357 4.074 2.751 1.00 0.54 C ATOM 0 H LEU A 91 8.168 1.797 6.071 1.00 0.37 H new ATOM 0 HA LEU A 91 7.815 4.546 5.445 1.00 0.42 H new ATOM 0 HB2 LEU A 91 5.996 2.106 5.246 1.00 0.41 H new ATOM 0 HB3 LEU A 91 5.530 3.677 4.623 1.00 0.41 H new ATOM 0 HG LEU A 91 8.194 2.425 3.859 1.00 0.41 H new ATOM 0 HD11 LEU A 91 7.064 1.534 1.821 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.397 0.800 3.298 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.496 2.085 2.458 1.00 0.42 H new ATOM 0 HD21 LEU A 91 7.936 3.866 1.851 1.00 0.54 H new ATOM 0 HD22 LEU A 91 6.371 4.445 2.470 1.00 0.54 H new ATOM 0 HD23 LEU A 91 7.872 4.827 3.348 1.00 0.54 H new ATOM 569 N LYS A 92 6.188 3.494 8.076 1.00 0.45 N ATOM 570 CA LYS A 92 5.340 3.981 9.199 1.00 0.53 C ATOM 571 C LYS A 92 6.018 5.176 9.875 1.00 0.63 C ATOM 572 O LYS A 92 5.375 6.138 10.246 1.00 0.85 O ATOM 573 CB LYS A 92 5.153 2.856 10.224 1.00 0.54 C ATOM 574 CG LYS A 92 4.084 3.260 11.252 1.00 0.73 C ATOM 575 CD LYS A 92 4.242 2.423 12.526 1.00 1.20 C ATOM 576 CE LYS A 92 3.259 2.919 13.587 1.00 1.61 C ATOM 577 NZ LYS A 92 1.875 2.884 13.037 1.00 2.27 N ATOM 0 H LYS A 92 6.571 2.556 8.193 1.00 0.45 H new ATOM 0 HA LYS A 92 4.368 4.287 8.811 1.00 0.53 H new ATOM 0 HB2 LYS A 92 4.856 1.937 9.719 1.00 0.54 H new ATOM 0 HB3 LYS A 92 6.097 2.651 10.729 1.00 0.54 H new ATOM 0 HG2 LYS A 92 4.177 4.320 11.489 1.00 0.73 H new ATOM 0 HG3 LYS A 92 3.089 3.114 10.831 1.00 0.73 H new ATOM 0 HD2 LYS A 92 4.058 1.371 12.308 1.00 1.20 H new ATOM 0 HD3 LYS A 92 5.264 2.497 12.898 1.00 1.20 H new ATOM 0 HE2 LYS A 92 3.324 2.295 14.478 1.00 1.61 H new ATOM 0 HE3 LYS A 92 3.516 3.934 13.890 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 1.191 2.853 13.820 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 1.707 3.736 12.465 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 1.759 2.039 12.442 1.00 2.27 H new ATOM 591 N GLU A 93 7.310 5.116 10.050 1.00 0.62 N ATOM 592 CA GLU A 93 8.027 6.240 10.713 1.00 0.76 C ATOM 593 C GLU A 93 8.092 7.450 9.781 1.00 0.77 C ATOM 594 O GLU A 93 7.381 8.420 9.953 1.00 1.05 O ATOM 595 CB GLU A 93 9.447 5.794 11.066 1.00 0.94 C ATOM 596 CG GLU A 93 9.391 4.749 12.183 1.00 1.22 C ATOM 597 CD GLU A 93 9.052 5.435 13.508 1.00 2.00 C ATOM 598 OE1 GLU A 93 9.974 5.857 14.186 1.00 2.54 O ATOM 599 OE2 GLU A 93 7.876 5.526 13.820 1.00 2.73 O ATOM 0 H GLU A 93 7.900 4.336 9.762 1.00 0.62 H new ATOM 0 HA GLU A 93 7.489 6.520 11.619 1.00 0.76 H new ATOM 0 HB2 GLU A 93 9.937 5.376 10.187 1.00 0.94 H new ATOM 0 HB3 GLU A 93 10.040 6.651 11.385 1.00 0.94 H new ATOM 0 HG2 GLU A 93 8.641 3.993 11.951 1.00 1.22 H new ATOM 0 HG3 GLU A 93 10.349 4.234 12.262 1.00 1.22 H new ATOM 606 N LYS A 94 8.957 7.405 8.807 1.00 0.80 N ATOM 607 CA LYS A 94 9.094 8.557 7.867 1.00 1.02 C ATOM 608 C LYS A 94 7.954 8.540 6.837 1.00 0.96 C ATOM 609 O LYS A 94 7.096 9.400 6.842 1.00 1.41 O ATOM 610 CB LYS A 94 10.462 8.473 7.155 1.00 1.39 C ATOM 611 CG LYS A 94 11.530 9.210 7.974 1.00 1.63 C ATOM 612 CD LYS A 94 11.647 8.571 9.359 1.00 2.18 C ATOM 613 CE LYS A 94 12.918 9.070 10.045 1.00 2.61 C ATOM 614 NZ LYS A 94 14.105 8.688 9.228 1.00 2.96 N ATOM 0 H LYS A 94 9.578 6.618 8.619 1.00 0.80 H new ATOM 0 HA LYS A 94 9.036 9.491 8.427 1.00 1.02 H new ATOM 0 HB2 LYS A 94 10.749 7.430 7.024 1.00 1.39 H new ATOM 0 HB3 LYS A 94 10.390 8.911 6.159 1.00 1.39 H new ATOM 0 HG2 LYS A 94 12.490 9.167 7.460 1.00 1.63 H new ATOM 0 HG3 LYS A 94 11.267 10.263 8.070 1.00 1.63 H new ATOM 0 HD2 LYS A 94 10.774 8.821 9.961 1.00 2.18 H new ATOM 0 HD3 LYS A 94 11.672 7.485 9.269 1.00 2.18 H new ATOM 0 HE2 LYS A 94 12.879 10.153 10.165 1.00 2.61 H new ATOM 0 HE3 LYS A 94 12.997 8.641 11.044 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 14.937 8.597 9.846 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 13.923 7.780 8.755 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 14.284 9.421 8.512 1.00 2.96 H new ATOM 628 N GLY A 95 7.949 7.583 5.945 1.00 1.12 N ATOM 629 CA GLY A 95 6.878 7.525 4.905 1.00 1.51 C ATOM 630 C GLY A 95 5.506 7.802 5.536 1.00 1.10 C ATOM 631 O GLY A 95 5.317 7.634 6.724 1.00 1.71 O ATOM 0 H GLY A 95 8.643 6.837 5.892 1.00 1.12 H new ATOM 0 HA2 GLY A 95 7.081 8.257 4.123 1.00 1.51 H new ATOM 0 HA3 GLY A 95 6.876 6.544 4.430 1.00 1.51 H new ATOM 635 N GLY A 96 4.548 8.231 4.743 1.00 1.17 N ATOM 636 CA GLY A 96 3.179 8.525 5.279 1.00 0.99 C ATOM 637 C GLY A 96 2.137 7.766 4.454 1.00 0.81 C ATOM 638 O GLY A 96 1.235 8.350 3.886 1.00 0.83 O ATOM 0 H GLY A 96 4.658 8.390 3.742 1.00 1.17 H new ATOM 0 HA2 GLY A 96 3.115 8.230 6.326 1.00 0.99 H new ATOM 0 HA3 GLY A 96 2.982 9.596 5.237 1.00 0.99 H new ATOM 642 N LEU A 97 2.252 6.467 4.382 1.00 0.67 N ATOM 643 CA LEU A 97 1.268 5.672 3.590 1.00 0.55 C ATOM 644 C LEU A 97 0.015 5.433 4.434 1.00 0.46 C ATOM 645 O LEU A 97 -1.093 5.438 3.938 1.00 0.49 O ATOM 646 CB LEU A 97 1.897 4.324 3.214 1.00 0.54 C ATOM 647 CG LEU A 97 0.978 3.555 2.244 1.00 0.54 C ATOM 648 CD1 LEU A 97 1.105 4.114 0.819 1.00 0.65 C ATOM 649 CD2 LEU A 97 1.375 2.075 2.240 1.00 0.66 C ATOM 0 H LEU A 97 2.984 5.922 4.837 1.00 0.67 H new ATOM 0 HA LEU A 97 0.998 6.215 2.684 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.871 4.486 2.751 1.00 0.54 H new ATOM 0 HB3 LEU A 97 2.066 3.731 4.113 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.054 3.668 2.575 1.00 0.54 H new ATOM 0 HD11 LEU A 97 0.448 3.558 0.150 1.00 0.65 H new ATOM 0 HD12 LEU A 97 0.821 5.166 0.814 1.00 0.65 H new ATOM 0 HD13 LEU A 97 2.136 4.015 0.480 1.00 0.65 H new ATOM 0 HD21 LEU A 97 0.728 1.527 1.555 1.00 0.66 H new ATOM 0 HD22 LEU A 97 2.411 1.977 1.917 1.00 0.66 H new ATOM 0 HD23 LEU A 97 1.269 1.667 3.245 1.00 0.66 H new ATOM 661 N GLU A 98 0.185 5.211 5.706 1.00 0.44 N ATOM 662 CA GLU A 98 -0.988 4.959 6.588 1.00 0.40 C ATOM 663 C GLU A 98 -2.045 6.046 6.394 1.00 0.40 C ATOM 664 O GLU A 98 -1.746 7.186 6.100 1.00 0.58 O ATOM 665 CB GLU A 98 -0.530 4.956 8.046 1.00 0.49 C ATOM 666 CG GLU A 98 -1.742 4.822 8.972 1.00 0.48 C ATOM 667 CD GLU A 98 -1.267 4.480 10.386 1.00 1.26 C ATOM 668 OE1 GLU A 98 -0.073 4.295 10.560 1.00 2.03 O ATOM 669 OE2 GLU A 98 -2.104 4.406 11.270 1.00 1.94 O ATOM 0 H GLU A 98 1.090 5.193 6.176 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.423 3.994 6.330 1.00 0.40 H new ATOM 0 HB2 GLU A 98 0.162 4.132 8.217 1.00 0.49 H new ATOM 0 HB3 GLU A 98 0.009 5.877 8.269 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -2.310 5.752 8.982 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -2.411 4.044 8.603 1.00 0.48 H new ATOM 676 N GLY A 99 -3.281 5.688 6.583 1.00 0.39 N ATOM 677 CA GLY A 99 -4.397 6.666 6.446 1.00 0.42 C ATOM 678 C GLY A 99 -4.278 7.464 5.140 1.00 0.42 C ATOM 679 O GLY A 99 -5.021 8.397 4.913 1.00 0.46 O ATOM 0 H GLY A 99 -3.572 4.743 6.831 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -5.351 6.139 6.468 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -4.391 7.350 7.295 1.00 0.42 H new ATOM 683 N LEU A 100 -3.364 7.112 4.277 1.00 0.41 N ATOM 684 CA LEU A 100 -3.234 7.872 2.995 1.00 0.43 C ATOM 685 C LEU A 100 -4.376 7.467 2.056 1.00 0.42 C ATOM 686 O LEU A 100 -4.411 6.367 1.543 1.00 0.44 O ATOM 687 CB LEU A 100 -1.884 7.551 2.341 1.00 0.45 C ATOM 688 CG LEU A 100 -1.607 8.530 1.183 1.00 0.55 C ATOM 689 CD1 LEU A 100 -1.048 9.855 1.721 1.00 1.15 C ATOM 690 CD2 LEU A 100 -0.585 7.912 0.223 1.00 1.17 C ATOM 0 H LEU A 100 -2.708 6.341 4.399 1.00 0.41 H new ATOM 0 HA LEU A 100 -3.287 8.942 3.193 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -1.088 7.618 3.082 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -1.887 6.527 1.968 1.00 0.45 H new ATOM 0 HG LEU A 100 -2.544 8.723 0.660 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -0.858 10.534 0.890 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -1.771 10.306 2.400 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -0.117 9.667 2.255 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -0.390 8.605 -0.596 1.00 1.17 H new ATOM 0 HD22 LEU A 100 0.343 7.712 0.759 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -0.980 6.979 -0.178 1.00 1.17 H new ATOM 702 N ILE A 101 -5.322 8.345 1.846 1.00 0.44 N ATOM 703 CA ILE A 101 -6.476 8.007 0.962 1.00 0.45 C ATOM 704 C ILE A 101 -6.013 7.751 -0.480 1.00 0.46 C ATOM 705 O ILE A 101 -5.599 8.647 -1.190 1.00 0.49 O ATOM 706 CB ILE A 101 -7.523 9.141 1.032 1.00 0.50 C ATOM 707 CG1 ILE A 101 -8.381 8.973 2.314 1.00 0.51 C ATOM 708 CG2 ILE A 101 -8.423 9.130 -0.213 1.00 0.54 C ATOM 709 CD1 ILE A 101 -9.509 7.933 2.111 1.00 0.52 C ATOM 0 H ILE A 101 -5.345 9.282 2.249 1.00 0.44 H new ATOM 0 HA ILE A 101 -6.938 7.084 1.312 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.003 10.099 1.065 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -7.743 8.662 3.141 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -8.816 9.934 2.590 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -9.152 9.937 -0.142 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -7.812 9.271 -1.105 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -8.944 8.175 -0.277 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.089 7.842 3.029 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.161 8.257 1.300 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.072 6.966 1.860 1.00 0.52 H new ATOM 721 N HIS A 102 -6.109 6.518 -0.910 1.00 0.47 N ATOM 722 CA HIS A 102 -5.712 6.147 -2.299 1.00 0.51 C ATOM 723 C HIS A 102 -6.679 6.792 -3.293 1.00 0.58 C ATOM 724 O HIS A 102 -7.859 6.479 -3.318 1.00 0.64 O ATOM 725 CB HIS A 102 -5.772 4.620 -2.442 1.00 0.57 C ATOM 726 CG HIS A 102 -5.521 4.215 -3.870 1.00 0.64 C ATOM 727 ND1 HIS A 102 -6.235 4.747 -4.932 1.00 1.41 N ATOM 728 CD2 HIS A 102 -4.652 3.307 -4.420 1.00 0.64 C ATOM 729 CE1 HIS A 102 -5.788 4.158 -6.055 1.00 1.36 C ATOM 730 NE2 HIS A 102 -4.822 3.273 -5.800 1.00 0.70 N ATOM 0 H HIS A 102 -6.452 5.741 -0.346 1.00 0.47 H new ATOM 0 HA HIS A 102 -4.700 6.497 -2.502 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -5.030 4.158 -1.791 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.748 4.257 -2.121 1.00 0.57 H new ATOM 0 HD2 HIS A 102 -3.944 2.709 -3.866 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -6.165 4.375 -7.044 1.00 1.36 H new ATOM 0 HE2 HIS A 102 -4.317 2.696 -6.473 1.00 0.70 H new ATOM 738 N SER A 103 -6.183 7.689 -4.109 1.00 0.60 N ATOM 739 CA SER A 103 -7.054 8.368 -5.111 1.00 0.69 C ATOM 740 C SER A 103 -7.488 7.374 -6.193 1.00 0.76 C ATOM 741 O SER A 103 -8.386 6.580 -5.995 1.00 0.85 O ATOM 742 CB SER A 103 -6.281 9.515 -5.761 1.00 0.74 C ATOM 743 OG SER A 103 -5.042 9.025 -6.259 1.00 1.49 O ATOM 0 H SER A 103 -5.206 7.980 -4.122 1.00 0.60 H new ATOM 0 HA SER A 103 -7.939 8.756 -4.607 1.00 0.69 H new ATOM 0 HB2 SER A 103 -6.866 9.949 -6.572 1.00 0.74 H new ATOM 0 HB3 SER A 103 -6.106 10.308 -5.034 1.00 0.74 H new ATOM 0 HG SER A 103 -4.837 9.461 -7.112 1.00 1.49 H new ATOM 749 N GLN A 104 -6.858 7.424 -7.345 1.00 0.81 N ATOM 750 CA GLN A 104 -7.230 6.496 -8.462 1.00 0.92 C ATOM 751 C GLN A 104 -5.963 5.927 -9.113 1.00 0.93 C ATOM 752 O GLN A 104 -6.018 5.325 -10.167 1.00 1.37 O ATOM 753 CB GLN A 104 -8.025 7.278 -9.516 1.00 1.06 C ATOM 754 CG GLN A 104 -9.453 7.526 -9.014 1.00 1.76 C ATOM 755 CD GLN A 104 -10.301 6.268 -9.216 1.00 2.14 C ATOM 756 OE1 GLN A 104 -10.350 5.722 -10.300 1.00 2.64 O ATOM 757 NE2 GLN A 104 -10.977 5.782 -8.210 1.00 2.70 N ATOM 0 H GLN A 104 -6.099 8.071 -7.560 1.00 0.81 H new ATOM 0 HA GLN A 104 -7.831 5.677 -8.066 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -7.533 8.228 -9.724 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -8.051 6.721 -10.452 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -9.435 7.798 -7.959 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -9.896 8.364 -9.551 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -10.936 6.240 -7.299 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -11.546 4.944 -8.335 1.00 2.70 H new ATOM 766 N ARG A 105 -4.823 6.106 -8.500 1.00 0.83 N ATOM 767 CA ARG A 105 -3.567 5.566 -9.099 1.00 0.87 C ATOM 768 C ARG A 105 -2.420 5.701 -8.094 1.00 0.74 C ATOM 769 O ARG A 105 -1.288 5.346 -8.370 1.00 0.70 O ATOM 770 CB ARG A 105 -3.232 6.356 -10.370 1.00 1.06 C ATOM 771 CG ARG A 105 -2.170 5.612 -11.189 1.00 1.71 C ATOM 772 CD ARG A 105 -2.083 6.229 -12.586 1.00 1.99 C ATOM 773 NE ARG A 105 -1.135 5.436 -13.420 1.00 2.86 N ATOM 774 CZ ARG A 105 -1.120 5.590 -14.716 1.00 3.60 C ATOM 775 NH1 ARG A 105 -1.935 6.437 -15.283 1.00 3.73 N ATOM 776 NH2 ARG A 105 -0.290 4.894 -15.445 1.00 4.61 N ATOM 0 H ARG A 105 -4.707 6.600 -7.615 1.00 0.83 H new ATOM 0 HA ARG A 105 -3.705 4.514 -9.349 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -4.132 6.495 -10.969 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -2.868 7.349 -10.105 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -1.202 5.673 -10.691 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -2.425 4.555 -11.261 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -3.069 6.244 -13.051 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -1.747 7.264 -12.518 1.00 1.99 H new ATOM 0 HE ARG A 105 -0.498 4.773 -12.978 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -2.584 6.979 -14.713 1.00 3.73 H new ATOM 0 HH12 ARG A 105 -1.923 6.557 -16.296 1.00 3.73 H new ATOM 0 HH21 ARG A 105 0.346 4.231 -15.002 1.00 4.61 H new ATOM 0 HH22 ARG A 105 -0.277 5.013 -16.458 1.00 4.61 H new ATOM 790 N ARG A 106 -2.704 6.210 -6.927 1.00 0.71 N ATOM 791 CA ARG A 106 -1.632 6.371 -5.906 1.00 0.65 C ATOM 792 C ARG A 106 -0.948 5.017 -5.680 1.00 0.54 C ATOM 793 O ARG A 106 0.165 4.944 -5.197 1.00 0.50 O ATOM 794 CB ARG A 106 -2.261 6.890 -4.592 1.00 0.70 C ATOM 795 CG ARG A 106 -1.338 7.931 -3.931 1.00 1.01 C ATOM 796 CD ARG A 106 -1.491 9.309 -4.624 1.00 1.24 C ATOM 797 NE ARG A 106 -0.144 9.901 -4.907 1.00 1.86 N ATOM 798 CZ ARG A 106 0.799 9.918 -3.999 1.00 2.48 C ATOM 799 NH1 ARG A 106 0.560 9.490 -2.791 1.00 2.86 N ATOM 800 NH2 ARG A 106 1.978 10.389 -4.299 1.00 3.29 N ATOM 0 H ARG A 106 -3.631 6.521 -6.637 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.886 7.089 -6.247 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -3.234 7.336 -4.798 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -2.430 6.058 -3.908 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -1.581 8.021 -2.872 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -0.302 7.599 -3.993 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -2.049 9.196 -5.554 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -2.065 9.982 -3.987 1.00 1.24 H new ATOM 0 HE ARG A 106 0.042 10.300 -5.827 1.00 1.86 H new ATOM 0 HH11 ARG A 106 -0.366 9.139 -2.548 1.00 2.86 H new ATOM 0 HH12 ARG A 106 1.299 9.506 -2.089 1.00 2.86 H new ATOM 0 HH21 ARG A 106 2.162 10.742 -5.238 1.00 3.29 H new ATOM 0 HH22 ARG A 106 2.716 10.404 -3.595 1.00 3.29 H new ATOM 814 N GLN A 107 -1.605 3.944 -6.030 1.00 0.55 N ATOM 815 CA GLN A 107 -0.995 2.599 -5.843 1.00 0.52 C ATOM 816 C GLN A 107 0.252 2.484 -6.722 1.00 0.49 C ATOM 817 O GLN A 107 1.301 2.061 -6.278 1.00 0.44 O ATOM 818 CB GLN A 107 -2.007 1.519 -6.244 1.00 0.63 C ATOM 819 CG GLN A 107 -1.426 0.126 -5.968 1.00 1.11 C ATOM 820 CD GLN A 107 -0.459 -0.266 -7.089 1.00 1.53 C ATOM 821 OE1 GLN A 107 -0.626 0.144 -8.221 1.00 2.13 O ATOM 822 NE2 GLN A 107 0.552 -1.045 -6.820 1.00 2.12 N ATOM 0 H GLN A 107 -2.540 3.943 -6.438 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.718 2.464 -4.797 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -2.934 1.652 -5.686 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -2.255 1.616 -7.301 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -0.907 0.122 -5.010 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -2.231 -0.606 -5.897 1.00 1.11 H new ATOM 0 HE21 GLN A 107 0.692 -1.389 -5.870 1.00 2.12 H new ATOM 0 HE22 GLN A 107 1.202 -1.310 -7.560 1.00 2.12 H new ATOM 831 N ASP A 108 0.144 2.859 -7.967 1.00 0.56 N ATOM 832 CA ASP A 108 1.320 2.773 -8.877 1.00 0.59 C ATOM 833 C ASP A 108 2.467 3.621 -8.320 1.00 0.54 C ATOM 834 O ASP A 108 3.608 3.203 -8.307 1.00 0.54 O ATOM 835 CB ASP A 108 0.933 3.294 -10.262 1.00 0.72 C ATOM 836 CG ASP A 108 -0.319 2.562 -10.751 1.00 0.81 C ATOM 837 OD1 ASP A 108 -1.008 1.991 -9.921 1.00 1.33 O ATOM 838 OD2 ASP A 108 -0.566 2.584 -11.945 1.00 1.42 O ATOM 0 H ASP A 108 -0.709 3.222 -8.393 1.00 0.56 H new ATOM 0 HA ASP A 108 1.640 1.734 -8.953 1.00 0.59 H new ATOM 0 HB2 ASP A 108 0.747 4.367 -10.220 1.00 0.72 H new ATOM 0 HB3 ASP A 108 1.754 3.141 -10.962 1.00 0.72 H new ATOM 843 N ILE A 109 2.176 4.809 -7.865 1.00 0.55 N ATOM 844 CA ILE A 109 3.259 5.679 -7.317 1.00 0.54 C ATOM 845 C ILE A 109 3.997 4.930 -6.196 1.00 0.47 C ATOM 846 O ILE A 109 5.203 5.012 -6.075 1.00 0.53 O ATOM 847 CB ILE A 109 2.641 6.987 -6.780 1.00 0.59 C ATOM 848 CG1 ILE A 109 2.334 7.926 -7.954 1.00 0.70 C ATOM 849 CG2 ILE A 109 3.615 7.691 -5.826 1.00 0.63 C ATOM 850 CD1 ILE A 109 1.297 7.284 -8.877 1.00 1.47 C ATOM 0 H ILE A 109 1.240 5.215 -7.848 1.00 0.55 H new ATOM 0 HA ILE A 109 3.973 5.925 -8.103 1.00 0.54 H new ATOM 0 HB ILE A 109 1.726 6.742 -6.241 1.00 0.59 H new ATOM 0 HG12 ILE A 109 1.960 8.879 -7.580 1.00 0.70 H new ATOM 0 HG13 ILE A 109 3.247 8.138 -8.510 1.00 0.70 H new ATOM 0 HG21 ILE A 109 3.162 8.611 -5.457 1.00 0.63 H new ATOM 0 HG22 ILE A 109 3.839 7.035 -4.985 1.00 0.63 H new ATOM 0 HG23 ILE A 109 4.537 7.928 -6.357 1.00 0.63 H new ATOM 0 HD11 ILE A 109 1.084 7.956 -9.708 1.00 1.47 H new ATOM 0 HD12 ILE A 109 1.687 6.342 -9.263 1.00 1.47 H new ATOM 0 HD13 ILE A 109 0.380 7.095 -8.319 1.00 1.47 H new ATOM 862 N LEU A 110 3.285 4.204 -5.379 1.00 0.43 N ATOM 863 CA LEU A 110 3.950 3.457 -4.269 1.00 0.39 C ATOM 864 C LEU A 110 4.979 2.481 -4.852 1.00 0.38 C ATOM 865 O LEU A 110 6.169 2.625 -4.652 1.00 0.38 O ATOM 866 CB LEU A 110 2.885 2.682 -3.479 1.00 0.42 C ATOM 867 CG LEU A 110 3.530 1.829 -2.374 1.00 0.44 C ATOM 868 CD1 LEU A 110 4.292 2.725 -1.384 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.429 1.067 -1.629 1.00 0.66 C ATOM 0 H LEU A 110 2.272 4.094 -5.430 1.00 0.43 H new ATOM 0 HA LEU A 110 4.459 4.156 -3.605 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.175 3.381 -3.036 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.320 2.040 -4.156 1.00 0.42 H new ATOM 0 HG LEU A 110 4.233 1.128 -2.824 1.00 0.44 H new ATOM 0 HD11 LEU A 110 4.743 2.107 -0.607 1.00 0.56 H new ATOM 0 HD12 LEU A 110 5.073 3.270 -1.914 1.00 0.56 H new ATOM 0 HD13 LEU A 110 3.601 3.434 -0.928 1.00 0.56 H new ATOM 0 HD21 LEU A 110 2.876 0.459 -0.843 1.00 0.66 H new ATOM 0 HD22 LEU A 110 1.731 1.777 -1.186 1.00 0.66 H new ATOM 0 HD23 LEU A 110 1.896 0.422 -2.328 1.00 0.66 H new ATOM 881 N ASP A 111 4.526 1.483 -5.559 1.00 0.40 N ATOM 882 CA ASP A 111 5.466 0.485 -6.146 1.00 0.42 C ATOM 883 C ASP A 111 6.564 1.191 -6.947 1.00 0.43 C ATOM 884 O ASP A 111 7.719 0.818 -6.892 1.00 0.42 O ATOM 885 CB ASP A 111 4.690 -0.456 -7.070 1.00 0.50 C ATOM 886 CG ASP A 111 3.556 -1.120 -6.286 1.00 0.59 C ATOM 887 OD1 ASP A 111 3.340 -0.730 -5.150 1.00 1.30 O ATOM 888 OD2 ASP A 111 2.922 -2.006 -6.836 1.00 1.19 O ATOM 0 H ASP A 111 3.540 1.314 -5.757 1.00 0.40 H new ATOM 0 HA ASP A 111 5.929 -0.082 -5.339 1.00 0.42 H new ATOM 0 HB2 ASP A 111 4.285 0.100 -7.916 1.00 0.50 H new ATOM 0 HB3 ASP A 111 5.358 -1.215 -7.478 1.00 0.50 H new ATOM 893 N LEU A 112 6.218 2.196 -7.702 1.00 0.48 N ATOM 894 CA LEU A 112 7.249 2.905 -8.512 1.00 0.52 C ATOM 895 C LEU A 112 8.256 3.592 -7.588 1.00 0.48 C ATOM 896 O LEU A 112 9.444 3.345 -7.662 1.00 0.47 O ATOM 897 CB LEU A 112 6.569 3.948 -9.404 1.00 0.60 C ATOM 898 CG LEU A 112 7.583 4.548 -10.391 1.00 0.70 C ATOM 899 CD1 LEU A 112 7.989 3.508 -11.454 1.00 1.45 C ATOM 900 CD2 LEU A 112 6.949 5.764 -11.075 1.00 1.26 C ATOM 0 H LEU A 112 5.268 2.557 -7.794 1.00 0.48 H new ATOM 0 HA LEU A 112 7.776 2.183 -9.136 1.00 0.52 H new ATOM 0 HB2 LEU A 112 5.747 3.488 -9.952 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.139 4.738 -8.788 1.00 0.60 H new ATOM 0 HG LEU A 112 8.478 4.848 -9.846 1.00 0.70 H new ATOM 0 HD11 LEU A 112 8.707 3.953 -12.143 1.00 1.45 H new ATOM 0 HD12 LEU A 112 8.442 2.645 -10.965 1.00 1.45 H new ATOM 0 HD13 LEU A 112 7.106 3.189 -12.007 1.00 1.45 H new ATOM 0 HD21 LEU A 112 7.660 6.198 -11.778 1.00 1.26 H new ATOM 0 HD22 LEU A 112 6.052 5.453 -11.611 1.00 1.26 H new ATOM 0 HD23 LEU A 112 6.683 6.507 -10.323 1.00 1.26 H new ATOM 912 N TRP A 113 7.800 4.450 -6.717 1.00 0.48 N ATOM 913 CA TRP A 113 8.747 5.141 -5.796 1.00 0.48 C ATOM 914 C TRP A 113 9.664 4.098 -5.153 1.00 0.43 C ATOM 915 O TRP A 113 10.846 4.317 -4.975 1.00 0.45 O ATOM 916 CB TRP A 113 7.956 5.876 -4.708 1.00 0.52 C ATOM 917 CG TRP A 113 8.897 6.461 -3.703 1.00 0.56 C ATOM 918 CD1 TRP A 113 9.557 7.635 -3.840 1.00 0.66 C ATOM 919 CD2 TRP A 113 9.292 5.920 -2.410 1.00 0.55 C ATOM 920 NE1 TRP A 113 10.332 7.846 -2.713 1.00 0.70 N ATOM 921 CE2 TRP A 113 10.202 6.816 -1.803 1.00 0.65 C ATOM 922 CE3 TRP A 113 8.951 4.749 -1.713 1.00 0.51 C ATOM 923 CZ2 TRP A 113 10.755 6.555 -0.547 1.00 0.70 C ATOM 924 CZ3 TRP A 113 9.503 4.482 -0.453 1.00 0.58 C ATOM 925 CH2 TRP A 113 10.405 5.383 0.130 1.00 0.67 C ATOM 0 H TRP A 113 6.818 4.702 -6.603 1.00 0.48 H new ATOM 0 HA TRP A 113 9.346 5.863 -6.351 1.00 0.48 H new ATOM 0 HB2 TRP A 113 7.351 6.665 -5.156 1.00 0.52 H new ATOM 0 HB3 TRP A 113 7.268 5.187 -4.218 1.00 0.52 H new ATOM 0 HD1 TRP A 113 9.490 8.298 -4.690 1.00 0.66 H new ATOM 0 HE1 TRP A 113 10.927 8.663 -2.572 1.00 0.70 H new ATOM 0 HE3 TRP A 113 8.257 4.048 -2.152 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 11.448 7.254 -0.102 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 9.232 3.578 0.072 1.00 0.58 H new ATOM 0 HH2 TRP A 113 10.829 5.172 1.101 1.00 0.67 H new ATOM 936 N ILE A 114 9.125 2.960 -4.814 1.00 0.39 N ATOM 937 CA ILE A 114 9.956 1.892 -4.194 1.00 0.37 C ATOM 938 C ILE A 114 11.058 1.459 -5.171 1.00 0.39 C ATOM 939 O ILE A 114 12.176 1.193 -4.778 1.00 0.44 O ATOM 940 CB ILE A 114 9.057 0.692 -3.835 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.187 1.080 -2.631 1.00 0.37 C ATOM 942 CG2 ILE A 114 9.923 -0.530 -3.489 1.00 0.42 C ATOM 943 CD1 ILE A 114 7.222 -0.053 -2.276 1.00 1.00 C ATOM 0 H ILE A 114 8.141 2.723 -4.940 1.00 0.39 H new ATOM 0 HA ILE A 114 10.425 2.272 -3.286 1.00 0.37 H new ATOM 0 HB ILE A 114 8.423 0.434 -4.684 1.00 0.37 H new ATOM 0 HG12 ILE A 114 8.822 1.306 -1.774 1.00 0.37 H new ATOM 0 HG13 ILE A 114 7.625 1.986 -2.859 1.00 0.37 H new ATOM 0 HG21 ILE A 114 9.279 -1.373 -3.237 1.00 0.42 H new ATOM 0 HG22 ILE A 114 10.543 -0.791 -4.347 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.562 -0.294 -2.638 1.00 0.42 H new ATOM 0 HD11 ILE A 114 6.614 0.241 -1.420 1.00 1.00 H new ATOM 0 HD12 ILE A 114 6.574 -0.259 -3.128 1.00 1.00 H new ATOM 0 HD13 ILE A 114 7.790 -0.950 -2.027 1.00 1.00 H new ATOM 955 N TYR A 115 10.749 1.366 -6.437 1.00 0.40 N ATOM 956 CA TYR A 115 11.781 0.928 -7.425 1.00 0.46 C ATOM 957 C TYR A 115 12.925 1.951 -7.502 1.00 0.51 C ATOM 958 O TYR A 115 14.078 1.613 -7.325 1.00 0.54 O ATOM 959 CB TYR A 115 11.134 0.775 -8.807 1.00 0.53 C ATOM 960 CG TYR A 115 12.009 -0.097 -9.683 1.00 0.59 C ATOM 961 CD1 TYR A 115 13.176 0.430 -10.251 1.00 0.74 C ATOM 962 CD2 TYR A 115 11.653 -1.431 -9.926 1.00 0.56 C ATOM 963 CE1 TYR A 115 13.986 -0.375 -11.059 1.00 0.82 C ATOM 964 CE2 TYR A 115 12.466 -2.236 -10.734 1.00 0.65 C ATOM 965 CZ TYR A 115 13.632 -1.707 -11.301 1.00 0.77 C ATOM 966 OH TYR A 115 14.432 -2.501 -12.099 1.00 0.87 O ATOM 0 H TYR A 115 9.831 1.573 -6.830 1.00 0.40 H new ATOM 0 HA TYR A 115 12.191 -0.029 -7.102 1.00 0.46 H new ATOM 0 HB2 TYR A 115 10.143 0.331 -8.709 1.00 0.53 H new ATOM 0 HB3 TYR A 115 11.001 1.754 -9.268 1.00 0.53 H new ATOM 0 HD1 TYR A 115 13.450 1.458 -10.065 1.00 0.74 H new ATOM 0 HD2 TYR A 115 10.752 -1.838 -9.490 1.00 0.56 H new ATOM 0 HE1 TYR A 115 14.886 0.032 -11.497 1.00 0.82 H new ATOM 0 HE2 TYR A 115 12.194 -3.264 -10.920 1.00 0.65 H new ATOM 0 HH TYR A 115 14.043 -3.398 -12.163 1.00 0.87 H new ATOM 976 N HIS A 116 12.620 3.190 -7.779 1.00 0.58 N ATOM 977 CA HIS A 116 13.698 4.222 -7.884 1.00 0.67 C ATOM 978 C HIS A 116 14.481 4.300 -6.570 1.00 0.67 C ATOM 979 O HIS A 116 15.600 4.772 -6.537 1.00 0.81 O ATOM 980 CB HIS A 116 13.066 5.585 -8.174 1.00 0.79 C ATOM 981 CG HIS A 116 12.249 5.505 -9.434 1.00 1.20 C ATOM 982 ND1 HIS A 116 11.937 4.297 -10.038 1.00 1.99 N ATOM 983 CD2 HIS A 116 11.673 6.476 -10.217 1.00 2.05 C ATOM 984 CE1 HIS A 116 11.204 4.569 -11.134 1.00 2.71 C ATOM 985 NE2 HIS A 116 11.013 5.882 -11.289 1.00 2.74 N ATOM 0 H HIS A 116 11.673 3.534 -7.937 1.00 0.58 H new ATOM 0 HA HIS A 116 14.378 3.947 -8.691 1.00 0.67 H new ATOM 0 HB2 HIS A 116 12.436 5.890 -7.339 1.00 0.79 H new ATOM 0 HB3 HIS A 116 13.843 6.342 -8.280 1.00 0.79 H new ATOM 0 HD2 HIS A 116 11.724 7.538 -10.029 1.00 2.05 H new ATOM 0 HE1 HIS A 116 10.817 3.817 -11.806 1.00 2.71 H new ATOM 0 HE2 HIS A 116 10.495 6.349 -12.033 1.00 2.74 H new ATOM 993 N THR A 117 13.904 3.849 -5.485 1.00 0.63 N ATOM 994 CA THR A 117 14.616 3.905 -4.169 1.00 0.68 C ATOM 995 C THR A 117 15.228 2.539 -3.848 1.00 0.66 C ATOM 996 O THR A 117 16.432 2.384 -3.795 1.00 0.73 O ATOM 997 CB THR A 117 13.618 4.277 -3.071 1.00 0.80 C ATOM 998 OG1 THR A 117 12.485 3.423 -3.155 1.00 0.85 O ATOM 999 CG2 THR A 117 13.178 5.731 -3.247 1.00 0.91 C ATOM 0 H THR A 117 12.969 3.443 -5.452 1.00 0.63 H new ATOM 0 HA THR A 117 15.408 4.652 -4.222 1.00 0.68 H new ATOM 0 HB THR A 117 14.091 4.160 -2.096 1.00 0.80 H new ATOM 0 HG1 THR A 117 11.788 3.856 -3.691 1.00 0.85 H new ATOM 0 HG21 THR A 117 12.467 5.993 -2.464 1.00 0.91 H new ATOM 0 HG22 THR A 117 14.048 6.385 -3.182 1.00 0.91 H new ATOM 0 HG23 THR A 117 12.705 5.853 -4.222 1.00 0.91 H new ATOM 1007 N GLN A 118 14.407 1.553 -3.621 1.00 0.73 N ATOM 1008 CA GLN A 118 14.936 0.198 -3.289 1.00 0.83 C ATOM 1009 C GLN A 118 15.348 -0.525 -4.572 1.00 0.72 C ATOM 1010 O GLN A 118 16.519 -0.731 -4.824 1.00 0.91 O ATOM 1011 CB GLN A 118 13.851 -0.599 -2.558 1.00 1.06 C ATOM 1012 CG GLN A 118 13.189 0.299 -1.505 1.00 1.48 C ATOM 1013 CD GLN A 118 12.411 -0.557 -0.502 1.00 2.12 C ATOM 1014 OE1 GLN A 118 12.566 -0.398 0.693 1.00 2.89 O ATOM 1015 NE2 GLN A 118 11.579 -1.464 -0.935 1.00 2.13 N ATOM 0 H GLN A 118 13.390 1.625 -3.651 1.00 0.73 H new ATOM 0 HA GLN A 118 15.810 0.292 -2.645 1.00 0.83 H new ATOM 0 HB2 GLN A 118 13.106 -0.958 -3.268 1.00 1.06 H new ATOM 0 HB3 GLN A 118 14.287 -1.478 -2.082 1.00 1.06 H new ATOM 0 HG2 GLN A 118 13.948 0.884 -0.985 1.00 1.48 H new ATOM 0 HG3 GLN A 118 12.517 1.007 -1.990 1.00 1.48 H new ATOM 0 HE21 GLN A 118 11.448 -1.599 -1.938 1.00 2.13 H new ATOM 0 HE22 GLN A 118 11.060 -2.038 -0.271 1.00 2.13 H new ATOM 1024 N GLY A 119 14.397 -0.911 -5.384 1.00 0.86 N ATOM 1025 CA GLY A 119 14.719 -1.627 -6.664 1.00 0.85 C ATOM 1026 C GLY A 119 14.059 -3.004 -6.659 1.00 0.65 C ATOM 1027 O GLY A 119 14.365 -3.851 -7.475 1.00 0.67 O ATOM 0 H GLY A 119 13.402 -0.761 -5.217 1.00 0.86 H new ATOM 0 HA2 GLY A 119 14.366 -1.046 -7.516 1.00 0.85 H new ATOM 0 HA3 GLY A 119 15.799 -1.730 -6.773 1.00 0.85 H new ATOM 1031 N TYR A 120 13.157 -3.236 -5.752 1.00 0.54 N ATOM 1032 CA TYR A 120 12.484 -4.560 -5.704 1.00 0.44 C ATOM 1033 C TYR A 120 11.458 -4.644 -6.834 1.00 0.49 C ATOM 1034 O TYR A 120 10.763 -3.691 -7.128 1.00 0.70 O ATOM 1035 CB TYR A 120 11.793 -4.727 -4.351 1.00 0.48 C ATOM 1036 CG TYR A 120 12.841 -4.982 -3.293 1.00 0.52 C ATOM 1037 CD1 TYR A 120 13.540 -6.192 -3.280 1.00 0.58 C ATOM 1038 CD2 TYR A 120 13.116 -4.006 -2.328 1.00 0.60 C ATOM 1039 CE1 TYR A 120 14.515 -6.426 -2.302 1.00 0.71 C ATOM 1040 CE2 TYR A 120 14.088 -4.240 -1.350 1.00 0.71 C ATOM 1041 CZ TYR A 120 14.788 -5.451 -1.337 1.00 0.75 C ATOM 1042 OH TYR A 120 15.747 -5.684 -0.373 1.00 0.91 O ATOM 0 H TYR A 120 12.856 -2.568 -5.042 1.00 0.54 H new ATOM 0 HA TYR A 120 13.218 -5.356 -5.829 1.00 0.44 H new ATOM 0 HB2 TYR A 120 11.221 -3.832 -4.107 1.00 0.48 H new ATOM 0 HB3 TYR A 120 11.086 -5.556 -4.389 1.00 0.48 H new ATOM 0 HD1 TYR A 120 13.329 -6.946 -4.024 1.00 0.58 H new ATOM 0 HD2 TYR A 120 12.577 -3.070 -2.339 1.00 0.60 H new ATOM 0 HE1 TYR A 120 15.057 -7.360 -2.293 1.00 0.71 H new ATOM 0 HE2 TYR A 120 14.298 -3.486 -0.605 1.00 0.71 H new ATOM 0 HH TYR A 120 15.813 -4.905 0.218 1.00 0.91 H new ATOM 1052 N PHE A 121 11.367 -5.775 -7.476 1.00 0.48 N ATOM 1053 CA PHE A 121 10.394 -5.916 -8.598 1.00 0.57 C ATOM 1054 C PHE A 121 8.962 -5.963 -8.024 1.00 0.55 C ATOM 1055 O PHE A 121 8.738 -6.555 -6.987 1.00 0.59 O ATOM 1056 CB PHE A 121 10.696 -7.213 -9.384 1.00 0.68 C ATOM 1057 CG PHE A 121 11.392 -8.211 -8.484 1.00 1.42 C ATOM 1058 CD1 PHE A 121 10.669 -8.883 -7.492 1.00 2.32 C ATOM 1059 CD2 PHE A 121 12.762 -8.461 -8.640 1.00 2.33 C ATOM 1060 CE1 PHE A 121 11.314 -9.804 -6.657 1.00 3.44 C ATOM 1061 CE2 PHE A 121 13.407 -9.382 -7.806 1.00 3.43 C ATOM 1062 CZ PHE A 121 12.684 -10.053 -6.814 1.00 3.85 C ATOM 0 H PHE A 121 11.922 -6.607 -7.274 1.00 0.48 H new ATOM 0 HA PHE A 121 10.482 -5.065 -9.274 1.00 0.57 H new ATOM 0 HB2 PHE A 121 9.769 -7.640 -9.767 1.00 0.68 H new ATOM 0 HB3 PHE A 121 11.324 -6.988 -10.246 1.00 0.68 H new ATOM 0 HD1 PHE A 121 9.613 -8.691 -7.370 1.00 2.32 H new ATOM 0 HD2 PHE A 121 13.321 -7.942 -9.405 1.00 2.33 H new ATOM 0 HE1 PHE A 121 10.755 -10.322 -5.892 1.00 3.44 H new ATOM 0 HE2 PHE A 121 14.463 -9.574 -7.928 1.00 3.43 H new ATOM 0 HZ PHE A 121 13.181 -10.763 -6.169 1.00 3.85 H new ATOM 1072 N PRO A 122 7.994 -5.354 -8.680 1.00 0.64 N ATOM 1073 CA PRO A 122 6.582 -5.358 -8.197 1.00 0.67 C ATOM 1074 C PRO A 122 5.834 -6.632 -8.596 1.00 0.73 C ATOM 1075 O PRO A 122 5.217 -6.703 -9.640 1.00 1.19 O ATOM 1076 CB PRO A 122 5.982 -4.143 -8.902 1.00 0.80 C ATOM 1077 CG PRO A 122 6.680 -4.118 -10.222 1.00 1.05 C ATOM 1078 CD PRO A 122 8.115 -4.590 -9.943 1.00 0.87 C ATOM 0 HA PRO A 122 6.515 -5.322 -7.110 1.00 0.67 H new ATOM 0 HB2 PRO A 122 4.903 -4.242 -9.022 1.00 0.80 H new ATOM 0 HB3 PRO A 122 6.158 -3.226 -8.339 1.00 0.80 H new ATOM 0 HG2 PRO A 122 6.185 -4.773 -10.939 1.00 1.05 H new ATOM 0 HG3 PRO A 122 6.674 -3.115 -10.649 1.00 1.05 H new ATOM 0 HD2 PRO A 122 8.496 -5.212 -10.753 1.00 0.87 H new ATOM 0 HD3 PRO A 122 8.800 -3.749 -9.838 1.00 0.87 H new ATOM 1086 N ASP A 123 5.876 -7.629 -7.766 1.00 0.56 N ATOM 1087 CA ASP A 123 5.163 -8.898 -8.072 1.00 0.64 C ATOM 1088 C ASP A 123 4.859 -9.596 -6.753 1.00 0.58 C ATOM 1089 O ASP A 123 4.653 -10.791 -6.698 1.00 0.65 O ATOM 1090 CB ASP A 123 6.049 -9.795 -8.941 1.00 0.74 C ATOM 1091 CG ASP A 123 7.403 -9.992 -8.258 1.00 0.77 C ATOM 1092 OD1 ASP A 123 7.414 -10.185 -7.052 1.00 1.27 O ATOM 1093 OD2 ASP A 123 8.406 -9.949 -8.951 1.00 1.38 O ATOM 0 H ASP A 123 6.379 -7.621 -6.878 1.00 0.56 H new ATOM 0 HA ASP A 123 4.240 -8.693 -8.614 1.00 0.64 H new ATOM 0 HB2 ASP A 123 5.565 -10.759 -9.098 1.00 0.74 H new ATOM 0 HB3 ASP A 123 6.188 -9.344 -9.924 1.00 0.74 H new ATOM 1098 N TRP A 124 4.847 -8.839 -5.683 1.00 0.53 N ATOM 1099 CA TRP A 124 4.575 -9.415 -4.331 1.00 0.52 C ATOM 1100 C TRP A 124 3.319 -8.782 -3.747 1.00 0.51 C ATOM 1101 O TRP A 124 2.587 -9.390 -2.992 1.00 0.55 O ATOM 1102 CB TRP A 124 5.769 -9.112 -3.423 1.00 0.49 C ATOM 1103 CG TRP A 124 6.094 -7.651 -3.503 1.00 0.43 C ATOM 1104 CD1 TRP A 124 6.843 -7.064 -4.472 1.00 0.44 C ATOM 1105 CD2 TRP A 124 5.690 -6.581 -2.600 1.00 0.42 C ATOM 1106 NE1 TRP A 124 6.924 -5.707 -4.213 1.00 0.42 N ATOM 1107 CE2 TRP A 124 6.230 -5.361 -3.072 1.00 0.41 C ATOM 1108 CE3 TRP A 124 4.916 -6.553 -1.426 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 6.008 -4.156 -2.404 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 4.692 -5.341 -0.752 1.00 0.58 C ATOM 1111 CH2 TRP A 124 5.237 -4.146 -1.240 1.00 0.55 C ATOM 0 H TRP A 124 5.017 -7.833 -5.690 1.00 0.53 H new ATOM 0 HA TRP A 124 4.427 -10.492 -4.409 1.00 0.52 H new ATOM 0 HB2 TRP A 124 5.538 -9.389 -2.394 1.00 0.49 H new ATOM 0 HB3 TRP A 124 6.631 -9.705 -3.727 1.00 0.49 H new ATOM 0 HD1 TRP A 124 7.300 -7.573 -5.308 1.00 0.44 H new ATOM 0 HE1 TRP A 124 7.435 -5.043 -4.795 1.00 0.42 H new ATOM 0 HE3 TRP A 124 4.492 -7.468 -1.041 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 6.430 -3.238 -2.785 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 4.096 -5.330 0.148 1.00 0.58 H new ATOM 0 HH2 TRP A 124 5.061 -3.218 -0.716 1.00 0.55 H new ATOM 1122 N GLN A 125 3.079 -7.564 -4.091 1.00 0.53 N ATOM 1123 CA GLN A 125 1.879 -6.851 -3.565 1.00 0.60 C ATOM 1124 C GLN A 125 0.621 -7.304 -4.315 1.00 0.66 C ATOM 1125 O GLN A 125 0.122 -6.609 -5.177 1.00 0.84 O ATOM 1126 CB GLN A 125 2.065 -5.342 -3.740 1.00 0.69 C ATOM 1127 CG GLN A 125 0.974 -4.601 -2.963 1.00 1.56 C ATOM 1128 CD GLN A 125 1.264 -3.100 -2.980 1.00 2.18 C ATOM 1129 OE1 GLN A 125 2.268 -2.657 -2.458 1.00 2.78 O ATOM 1130 NE2 GLN A 125 0.420 -2.292 -3.561 1.00 2.82 N ATOM 0 H GLN A 125 3.664 -7.015 -4.722 1.00 0.53 H new ATOM 0 HA GLN A 125 1.762 -7.086 -2.507 1.00 0.60 H new ATOM 0 HB2 GLN A 125 3.050 -5.042 -3.381 1.00 0.69 H new ATOM 0 HB3 GLN A 125 2.017 -5.079 -4.797 1.00 0.69 H new ATOM 0 HG2 GLN A 125 -0.001 -4.799 -3.408 1.00 1.56 H new ATOM 0 HG3 GLN A 125 0.935 -4.963 -1.936 1.00 1.56 H new ATOM 0 HE21 GLN A 125 -0.423 -2.664 -3.999 1.00 2.82 H new ATOM 0 HE22 GLN A 125 0.603 -1.289 -3.577 1.00 2.82 H new ATOM 1139 N ASN A 126 0.099 -8.462 -3.985 1.00 0.64 N ATOM 1140 CA ASN A 126 -1.138 -8.965 -4.666 1.00 0.72 C ATOM 1141 C ASN A 126 -2.337 -8.784 -3.726 1.00 0.69 C ATOM 1142 O ASN A 126 -2.237 -8.138 -2.701 1.00 1.22 O ATOM 1143 CB ASN A 126 -0.964 -10.448 -5.003 1.00 0.84 C ATOM 1144 CG ASN A 126 0.282 -10.632 -5.871 1.00 0.89 C ATOM 1145 OD1 ASN A 126 0.212 -11.203 -6.941 1.00 1.53 O ATOM 1146 ND2 ASN A 126 1.429 -10.170 -5.453 1.00 0.88 N ATOM 0 H ASN A 126 0.478 -9.083 -3.270 1.00 0.64 H new ATOM 0 HA ASN A 126 -1.309 -8.405 -5.586 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -0.871 -11.031 -4.087 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -1.844 -10.818 -5.529 1.00 0.84 H new ATOM 0 HD21 ASN A 126 2.265 -10.289 -6.025 1.00 0.88 H new ATOM 0 HD22 ASN A 126 1.489 -9.690 -4.555 1.00 0.88 H new ATOM 1153 N TYR A 127 -3.475 -9.343 -4.055 1.00 0.69 N ATOM 1154 CA TYR A 127 -4.667 -9.170 -3.166 1.00 0.61 C ATOM 1155 C TYR A 127 -5.696 -10.265 -3.464 1.00 0.63 C ATOM 1156 O TYR A 127 -5.716 -10.844 -4.532 1.00 0.75 O ATOM 1157 CB TYR A 127 -5.336 -7.798 -3.426 1.00 0.65 C ATOM 1158 CG TYR A 127 -4.323 -6.791 -3.908 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -4.035 -6.694 -5.274 1.00 0.93 C ATOM 1160 CD2 TYR A 127 -3.681 -5.953 -2.996 1.00 0.98 C ATOM 1161 CE1 TYR A 127 -3.102 -5.755 -5.728 1.00 1.14 C ATOM 1162 CE2 TYR A 127 -2.746 -5.012 -3.448 1.00 1.19 C ATOM 1163 CZ TYR A 127 -2.456 -4.913 -4.814 1.00 1.23 C ATOM 1164 OH TYR A 127 -1.535 -3.987 -5.260 1.00 1.48 O ATOM 0 H TYR A 127 -3.631 -9.906 -4.891 1.00 0.69 H new ATOM 0 HA TYR A 127 -4.334 -9.230 -2.130 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -6.127 -7.909 -4.168 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -5.806 -7.438 -2.511 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -4.533 -7.344 -5.978 1.00 0.93 H new ATOM 0 HD2 TYR A 127 -3.904 -6.029 -1.942 1.00 0.98 H new ATOM 0 HE1 TYR A 127 -2.880 -5.680 -6.782 1.00 1.14 H new ATOM 0 HE2 TYR A 127 -2.249 -4.363 -2.742 1.00 1.19 H new ATOM 0 HH TYR A 127 -0.677 -4.431 -5.422 1.00 1.48 H new ATOM 1174 N THR A 128 -6.559 -10.537 -2.524 1.00 0.62 N ATOM 1175 CA THR A 128 -7.601 -11.580 -2.745 1.00 0.68 C ATOM 1176 C THR A 128 -8.553 -11.093 -3.844 1.00 0.75 C ATOM 1177 O THR A 128 -8.372 -10.021 -4.389 1.00 0.97 O ATOM 1178 CB THR A 128 -8.384 -11.829 -1.436 1.00 0.86 C ATOM 1179 OG1 THR A 128 -9.640 -11.165 -1.495 1.00 1.22 O ATOM 1180 CG2 THR A 128 -7.592 -11.295 -0.243 1.00 0.90 C ATOM 0 H THR A 128 -6.588 -10.082 -1.612 1.00 0.62 H new ATOM 0 HA THR A 128 -7.133 -12.516 -3.049 1.00 0.68 H new ATOM 0 HB THR A 128 -8.539 -12.901 -1.318 1.00 0.86 H new ATOM 0 HG1 THR A 128 -10.135 -11.326 -0.664 1.00 1.22 H new ATOM 0 HG21 THR A 128 -8.151 -11.475 0.675 1.00 0.90 H new ATOM 0 HG22 THR A 128 -6.630 -11.805 -0.187 1.00 0.90 H new ATOM 0 HG23 THR A 128 -7.429 -10.224 -0.365 1.00 0.90 H new ATOM 1249 N ARG A 134 -9.828 -4.854 0.959 1.00 0.51 N ATOM 1250 CA ARG A 134 -8.775 -5.536 0.145 1.00 0.49 C ATOM 1251 C ARG A 134 -7.653 -6.048 1.056 1.00 0.40 C ATOM 1252 O ARG A 134 -6.885 -5.272 1.606 1.00 0.38 O ATOM 1253 CB ARG A 134 -8.201 -4.562 -0.885 1.00 0.58 C ATOM 1254 CG ARG A 134 -9.214 -4.329 -2.010 1.00 1.06 C ATOM 1255 CD ARG A 134 -8.545 -3.544 -3.139 1.00 1.37 C ATOM 1256 NE ARG A 134 -9.487 -3.428 -4.289 1.00 1.86 N ATOM 1257 CZ ARG A 134 -9.251 -2.564 -5.238 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -8.197 -1.799 -5.177 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -10.073 -2.463 -6.247 1.00 3.36 N ATOM 0 HA ARG A 134 -9.225 -6.383 -0.374 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -7.955 -3.615 -0.404 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -7.274 -4.960 -1.297 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -9.584 -5.283 -2.385 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -10.076 -3.780 -1.631 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -8.259 -2.553 -2.788 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -7.630 -4.046 -3.453 1.00 1.37 H new ATOM 0 HE ARG A 134 -10.314 -4.023 -4.334 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -7.556 -1.876 -4.387 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -8.013 -1.124 -5.919 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -10.899 -3.059 -6.293 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -9.889 -1.788 -6.989 1.00 3.36 H new ATOM 1273 N TYR A 135 -7.545 -7.349 1.211 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.466 -7.926 2.072 1.00 0.39 C ATOM 1275 C TYR A 135 -5.245 -8.263 1.196 1.00 0.36 C ATOM 1276 O TYR A 135 -5.402 -8.681 0.065 1.00 0.39 O ATOM 1277 CB TYR A 135 -6.962 -9.221 2.732 1.00 0.46 C ATOM 1278 CG TYR A 135 -8.335 -9.013 3.327 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -9.465 -9.018 2.499 1.00 0.72 C ATOM 1280 CD2 TYR A 135 -8.480 -8.826 4.707 1.00 0.66 C ATOM 1281 CE1 TYR A 135 -10.738 -8.836 3.053 1.00 0.91 C ATOM 1282 CE2 TYR A 135 -9.753 -8.642 5.259 1.00 0.85 C ATOM 1283 CZ TYR A 135 -10.882 -8.648 4.433 1.00 0.92 C ATOM 1284 OH TYR A 135 -12.138 -8.468 4.977 1.00 1.17 O ATOM 0 H TYR A 135 -8.161 -8.036 0.776 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.196 -7.200 2.839 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -6.995 -10.023 1.995 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -6.264 -9.531 3.510 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -9.354 -9.162 1.434 1.00 0.72 H new ATOM 0 HD2 TYR A 135 -7.609 -8.824 5.346 1.00 0.66 H new ATOM 0 HE1 TYR A 135 -11.610 -8.841 2.415 1.00 0.91 H new ATOM 0 HE2 TYR A 135 -9.864 -8.495 6.323 1.00 0.85 H new ATOM 0 HH TYR A 135 -12.061 -8.353 5.947 1.00 1.17 H new ATOM 1294 N PRO A 136 -4.038 -8.122 1.701 1.00 0.37 N ATOM 1295 CA PRO A 136 -2.808 -8.464 0.927 1.00 0.38 C ATOM 1296 C PRO A 136 -2.535 -9.971 0.971 1.00 0.37 C ATOM 1297 O PRO A 136 -2.406 -10.548 2.031 1.00 0.38 O ATOM 1298 CB PRO A 136 -1.711 -7.699 1.664 1.00 0.42 C ATOM 1299 CG PRO A 136 -2.161 -7.694 3.089 1.00 0.51 C ATOM 1300 CD PRO A 136 -3.695 -7.624 3.049 1.00 0.44 C ATOM 0 HA PRO A 136 -2.883 -8.204 -0.129 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -0.743 -8.187 1.554 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -1.603 -6.686 1.277 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -1.825 -8.592 3.607 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -1.745 -6.841 3.626 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.144 -8.240 3.829 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -4.053 -6.606 3.202 1.00 0.44 H new ATOM 1308 N LEU A 137 -2.458 -10.623 -0.158 1.00 0.40 N ATOM 1309 CA LEU A 137 -2.205 -12.095 -0.123 1.00 0.43 C ATOM 1310 C LEU A 137 -0.830 -12.371 0.491 1.00 0.41 C ATOM 1311 O LEU A 137 -0.658 -13.314 1.238 1.00 0.38 O ATOM 1312 CB LEU A 137 -2.261 -12.684 -1.538 1.00 0.51 C ATOM 1313 CG LEU A 137 -3.712 -12.701 -2.058 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -3.699 -12.810 -3.582 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -4.473 -13.912 -1.509 1.00 0.92 C ATOM 0 H LEU A 137 -2.557 -10.212 -1.086 1.00 0.40 H new ATOM 0 HA LEU A 137 -2.978 -12.565 0.485 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -1.635 -12.095 -2.208 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -1.858 -13.697 -1.533 1.00 0.51 H new ATOM 0 HG LEU A 137 -4.201 -11.783 -1.732 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -4.723 -12.822 -3.955 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -3.170 -11.955 -4.003 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -3.195 -13.730 -3.877 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -5.494 -13.903 -1.889 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -3.976 -14.829 -1.826 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -4.491 -13.867 -0.420 1.00 0.92 H new ATOM 1327 N THR A 138 0.151 -11.566 0.187 1.00 0.50 N ATOM 1328 CA THR A 138 1.504 -11.808 0.766 1.00 0.55 C ATOM 1329 C THR A 138 1.456 -11.597 2.281 1.00 0.47 C ATOM 1330 O THR A 138 0.677 -10.818 2.790 1.00 0.50 O ATOM 1331 CB THR A 138 2.524 -10.842 0.136 1.00 0.73 C ATOM 1332 OG1 THR A 138 1.889 -9.604 -0.145 1.00 0.98 O ATOM 1333 CG2 THR A 138 3.075 -11.438 -1.162 1.00 1.04 C ATOM 0 H THR A 138 0.077 -10.758 -0.431 1.00 0.50 H new ATOM 0 HA THR A 138 1.809 -12.833 0.553 1.00 0.55 H new ATOM 0 HB THR A 138 3.346 -10.684 0.834 1.00 0.73 H new ATOM 0 HG1 THR A 138 2.028 -9.371 -1.087 1.00 0.98 H new ATOM 0 HG21 THR A 138 3.796 -10.749 -1.602 1.00 1.04 H new ATOM 0 HG22 THR A 138 3.565 -12.387 -0.947 1.00 1.04 H new ATOM 0 HG23 THR A 138 2.257 -11.603 -1.863 1.00 1.04 H new ATOM 1341 N PHE A 139 2.292 -12.299 3.001 1.00 0.51 N ATOM 1342 CA PHE A 139 2.320 -12.165 4.491 1.00 0.49 C ATOM 1343 C PHE A 139 3.483 -11.261 4.912 1.00 0.65 C ATOM 1344 O PHE A 139 4.466 -11.129 4.210 1.00 1.43 O ATOM 1345 CB PHE A 139 2.500 -13.549 5.118 1.00 0.52 C ATOM 1346 CG PHE A 139 2.570 -13.418 6.623 1.00 0.50 C ATOM 1347 CD1 PHE A 139 1.427 -13.046 7.343 1.00 0.67 C ATOM 1348 CD2 PHE A 139 3.771 -13.671 7.299 1.00 0.59 C ATOM 1349 CE1 PHE A 139 1.486 -12.925 8.737 1.00 0.77 C ATOM 1350 CE2 PHE A 139 3.829 -13.549 8.693 1.00 0.62 C ATOM 1351 CZ PHE A 139 2.687 -13.177 9.412 1.00 0.66 C ATOM 0 H PHE A 139 2.963 -12.965 2.619 1.00 0.51 H new ATOM 0 HA PHE A 139 1.383 -11.724 4.831 1.00 0.49 H new ATOM 0 HB2 PHE A 139 1.670 -14.197 4.837 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.410 -14.015 4.741 1.00 0.52 H new ATOM 0 HD1 PHE A 139 0.500 -12.853 6.823 1.00 0.67 H new ATOM 0 HD2 PHE A 139 4.652 -13.960 6.745 1.00 0.59 H new ATOM 0 HE1 PHE A 139 0.605 -12.637 9.292 1.00 0.77 H new ATOM 0 HE2 PHE A 139 4.755 -13.742 9.214 1.00 0.62 H new ATOM 0 HZ PHE A 139 2.732 -13.084 10.487 1.00 0.66 H new ATOM 1361 N GLY A 140 3.376 -10.639 6.058 1.00 0.46 N ATOM 1362 CA GLY A 140 4.466 -9.739 6.547 1.00 0.43 C ATOM 1363 C GLY A 140 4.129 -8.297 6.178 1.00 0.35 C ATOM 1364 O GLY A 140 4.302 -7.383 6.960 1.00 0.32 O ATOM 0 H GLY A 140 2.573 -10.716 6.682 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.576 -9.834 7.627 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.419 -10.027 6.103 1.00 0.43 H new ATOM 1368 N TRP A 141 3.633 -8.097 4.994 1.00 0.34 N ATOM 1369 CA TRP A 141 3.258 -6.725 4.552 1.00 0.29 C ATOM 1370 C TRP A 141 1.924 -6.375 5.230 1.00 0.32 C ATOM 1371 O TRP A 141 0.878 -6.885 4.883 1.00 0.40 O ATOM 1372 CB TRP A 141 3.161 -6.744 3.022 1.00 0.33 C ATOM 1373 CG TRP A 141 2.830 -5.398 2.454 1.00 0.31 C ATOM 1374 CD1 TRP A 141 1.828 -5.195 1.582 1.00 0.35 C ATOM 1375 CD2 TRP A 141 3.479 -4.093 2.639 1.00 0.28 C ATOM 1376 NE1 TRP A 141 1.780 -3.857 1.239 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.779 -3.137 1.859 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.578 -3.638 3.401 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 3.151 -1.792 1.831 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 4.954 -2.283 3.368 1.00 0.31 C ATOM 1381 CH2 TRP A 141 4.242 -1.364 2.585 1.00 0.33 C ATOM 0 H TRP A 141 3.469 -8.831 4.305 1.00 0.34 H new ATOM 0 HA TRP A 141 3.989 -5.966 4.832 1.00 0.29 H new ATOM 0 HB2 TRP A 141 4.107 -7.089 2.605 1.00 0.33 H new ATOM 0 HB3 TRP A 141 2.399 -7.461 2.718 1.00 0.33 H new ATOM 0 HD1 TRP A 141 1.163 -5.959 1.207 1.00 0.35 H new ATOM 0 HE1 TRP A 141 1.091 -3.452 0.605 1.00 0.33 H new ATOM 0 HE3 TRP A 141 5.133 -4.334 4.012 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.597 -1.087 1.229 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.799 -1.948 3.951 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.538 -0.326 2.566 1.00 0.33 H new ATOM 1392 N CYS A 142 1.987 -5.563 6.255 1.00 0.31 N ATOM 1393 CA CYS A 142 0.774 -5.222 7.056 1.00 0.40 C ATOM 1394 C CYS A 142 -0.053 -4.080 6.464 1.00 0.39 C ATOM 1395 O CYS A 142 -0.344 -3.112 7.139 1.00 0.48 O ATOM 1396 CB CYS A 142 1.223 -4.830 8.454 1.00 0.47 C ATOM 1397 SG CYS A 142 2.037 -3.215 8.402 1.00 1.45 S ATOM 0 H CYS A 142 2.845 -5.114 6.576 1.00 0.31 H new ATOM 0 HA CYS A 142 0.131 -6.102 7.060 1.00 0.40 H new ATOM 0 HB2 CYS A 142 0.365 -4.794 9.125 1.00 0.47 H new ATOM 0 HB3 CYS A 142 1.907 -5.580 8.851 1.00 0.47 H new ATOM 0 HG CYS A 142 1.275 -2.365 7.780 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.474 -4.196 5.239 1.00 0.38 N ATOM 1404 CA TYR A 143 -1.335 -3.124 4.625 1.00 0.40 C ATOM 1405 C TYR A 143 -2.798 -3.617 4.587 1.00 0.43 C ATOM 1406 O TYR A 143 -3.077 -4.717 4.160 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.806 -2.799 3.189 1.00 0.55 C ATOM 1408 CG TYR A 143 -1.839 -3.133 2.111 1.00 1.43 C ATOM 1409 CD1 TYR A 143 -3.094 -2.515 2.106 1.00 2.17 C ATOM 1410 CD2 TYR A 143 -1.547 -4.094 1.140 1.00 2.16 C ATOM 1411 CE1 TYR A 143 -4.038 -2.862 1.142 1.00 3.14 C ATOM 1412 CE2 TYR A 143 -2.490 -4.433 0.171 1.00 3.14 C ATOM 1413 CZ TYR A 143 -3.738 -3.819 0.173 1.00 3.52 C ATOM 1414 OH TYR A 143 -4.681 -4.156 -0.776 1.00 4.57 O ATOM 0 H TYR A 143 -0.264 -4.984 4.627 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.293 -2.211 5.218 1.00 0.40 H new ATOM 0 HB2 TYR A 143 -0.547 -1.742 3.128 1.00 0.55 H new ATOM 0 HB3 TYR A 143 0.108 -3.363 3.003 1.00 0.55 H new ATOM 0 HD1 TYR A 143 -3.331 -1.769 2.850 1.00 2.17 H new ATOM 0 HD2 TYR A 143 -0.582 -4.579 1.140 1.00 2.16 H new ATOM 0 HE1 TYR A 143 -5.008 -2.387 1.145 1.00 3.14 H new ATOM 0 HE2 TYR A 143 -2.252 -5.171 -0.580 1.00 3.14 H new ATOM 0 HH TYR A 143 -4.236 -4.335 -1.630 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.731 -2.787 5.001 1.00 0.39 N ATOM 1425 CA LYS A 144 -5.183 -3.174 4.961 1.00 0.51 C ATOM 1426 C LYS A 144 -6.012 -2.016 4.366 1.00 0.43 C ATOM 1427 O LYS A 144 -6.325 -1.071 5.062 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.658 -3.455 6.392 1.00 0.70 C ATOM 1429 CG LYS A 144 -5.090 -4.803 6.888 1.00 1.21 C ATOM 1430 CD LYS A 144 -6.047 -5.957 6.528 1.00 1.24 C ATOM 1431 CE LYS A 144 -7.143 -6.090 7.595 1.00 1.57 C ATOM 1432 NZ LYS A 144 -7.974 -7.290 7.303 1.00 2.32 N ATOM 0 H LYS A 144 -3.548 -1.853 5.367 1.00 0.39 H new ATOM 0 HA LYS A 144 -5.311 -4.062 4.342 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -5.336 -2.651 7.054 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -6.747 -3.477 6.423 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -4.113 -4.980 6.439 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -4.943 -4.768 7.968 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -6.499 -5.774 5.553 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -5.490 -6.891 6.451 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -6.694 -6.177 8.584 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -7.766 -5.196 7.605 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -8.908 -7.182 7.748 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -8.090 -7.390 6.274 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -7.505 -8.137 7.682 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.389 -2.061 3.101 1.00 0.40 N ATOM 1447 CA LEU A 145 -7.209 -0.920 2.553 1.00 0.37 C ATOM 1448 C LEU A 145 -8.668 -1.096 2.988 1.00 0.38 C ATOM 1449 O LEU A 145 -9.162 -2.202 3.114 1.00 0.41 O ATOM 1450 CB LEU A 145 -7.137 -0.850 1.008 1.00 0.42 C ATOM 1451 CG LEU A 145 -5.939 0.026 0.567 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -5.522 -0.344 -0.867 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -6.328 1.522 0.621 1.00 0.52 C ATOM 0 H LEU A 145 -6.174 -2.811 2.444 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.802 0.011 2.948 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -7.034 -1.854 0.596 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -8.064 -0.436 0.612 1.00 0.42 H new ATOM 0 HG LEU A 145 -5.104 -0.152 1.245 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -4.679 0.276 -1.172 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -5.232 -1.394 -0.902 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -6.359 -0.176 -1.544 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -5.479 2.130 0.309 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -7.169 1.703 -0.048 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -6.610 1.788 1.640 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.354 -0.004 3.203 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.784 -0.067 3.634 1.00 0.50 C ATOM 1467 C VAL A 146 -11.473 1.246 3.201 1.00 0.59 C ATOM 1468 O VAL A 146 -10.937 2.316 3.419 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.834 -0.162 5.172 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -12.287 -0.201 5.660 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -10.114 -1.428 5.646 1.00 0.56 C ATOM 0 H VAL A 146 -8.981 0.939 3.097 1.00 0.43 H new ATOM 0 HA VAL A 146 -11.280 -0.929 3.189 1.00 0.50 H new ATOM 0 HB VAL A 146 -10.339 0.717 5.583 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -12.304 -0.268 6.748 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.801 0.707 5.344 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.790 -1.069 5.235 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -10.156 -1.485 6.734 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -10.600 -2.305 5.218 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -9.073 -1.397 5.324 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.644 1.187 2.596 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.370 2.418 2.149 1.00 0.81 C ATOM 1483 C PRO A 147 -14.033 3.157 3.320 1.00 0.91 C ATOM 1484 O PRO A 147 -14.737 2.570 4.119 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.426 1.874 1.180 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.721 0.497 1.680 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.405 -0.035 2.260 1.00 0.75 C ATOM 0 HA PRO A 147 -12.701 3.150 1.697 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.321 2.496 1.179 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -14.052 1.853 0.157 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.502 0.517 2.440 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -15.078 -0.143 0.873 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.578 -0.653 3.141 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -12.871 -0.652 1.538 1.00 0.75 H new ATOM 1780 N LEU A 181 -10.147 4.681 -1.203 1.00 0.58 N ATOM 1781 CA LEU A 181 -9.665 3.717 -0.149 1.00 0.52 C ATOM 1782 C LEU A 181 -8.415 4.253 0.562 1.00 0.47 C ATOM 1783 O LEU A 181 -7.554 4.844 -0.048 1.00 0.51 O ATOM 1784 CB LEU A 181 -9.316 2.387 -0.826 1.00 0.60 C ATOM 1785 CG LEU A 181 -10.549 1.815 -1.561 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -10.095 0.926 -2.724 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -11.393 0.972 -0.596 1.00 0.87 C ATOM 0 HA LEU A 181 -10.454 3.585 0.591 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -8.500 2.535 -1.533 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -8.966 1.673 -0.080 1.00 0.60 H new ATOM 0 HG LEU A 181 -11.144 2.646 -1.939 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -10.969 0.526 -3.238 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -9.501 1.516 -3.422 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -9.492 0.104 -2.339 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -12.260 0.573 -1.124 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -10.792 0.148 -0.211 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -11.728 1.595 0.233 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.310 4.033 1.853 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.109 4.508 2.626 1.00 0.45 C ATOM 1801 C GLU A 182 -6.291 3.322 3.144 1.00 0.42 C ATOM 1802 O GLU A 182 -6.824 2.313 3.569 1.00 0.43 O ATOM 1803 CB GLU A 182 -7.568 5.355 3.817 1.00 0.49 C ATOM 1804 CG GLU A 182 -8.607 4.578 4.627 1.00 0.56 C ATOM 1805 CD GLU A 182 -9.056 5.420 5.822 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -8.942 6.632 5.743 1.00 1.62 O ATOM 1807 OE2 GLU A 182 -9.502 4.839 6.798 1.00 1.49 O ATOM 0 H GLU A 182 -9.009 3.541 2.410 1.00 0.45 H new ATOM 0 HA GLU A 182 -6.485 5.103 1.959 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -6.715 5.608 4.447 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -7.994 6.295 3.466 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -9.464 4.332 3.999 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -8.184 3.635 4.972 1.00 0.56 H new ATOM 1814 N TRP A 183 -4.987 3.458 3.113 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.091 2.369 3.601 1.00 0.38 C ATOM 1816 C TRP A 183 -4.156 2.314 5.131 1.00 0.37 C ATOM 1817 O TRP A 183 -3.634 3.176 5.810 1.00 0.43 O ATOM 1818 CB TRP A 183 -2.636 2.674 3.174 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.324 2.075 1.837 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -1.991 0.781 1.627 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.281 2.726 0.536 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -1.752 0.593 0.278 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -1.918 1.764 -0.438 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.521 4.043 0.109 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -1.798 2.100 -1.786 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -2.400 4.386 -1.246 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -2.040 3.417 -2.192 1.00 0.41 C ATOM 0 H TRP A 183 -4.503 4.286 2.766 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.410 1.416 3.178 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -2.485 3.753 3.136 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -1.946 2.281 3.921 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -1.923 0.019 2.389 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -1.486 -0.300 -0.138 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -2.801 4.797 0.830 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -1.520 1.349 -2.511 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -2.585 5.402 -1.562 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -1.949 3.687 -3.234 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.768 1.301 5.680 1.00 0.35 N ATOM 1839 CA ARG A 184 -4.835 1.187 7.167 1.00 0.35 C ATOM 1840 C ARG A 184 -3.661 0.322 7.628 1.00 0.31 C ATOM 1841 O ARG A 184 -3.733 -0.892 7.654 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.166 0.539 7.571 1.00 0.40 C ATOM 1843 CG ARG A 184 -6.407 0.722 9.073 1.00 0.98 C ATOM 1844 CD ARG A 184 -7.855 0.348 9.400 1.00 1.51 C ATOM 1845 NE ARG A 184 -8.768 1.419 8.911 1.00 1.57 N ATOM 1846 CZ ARG A 184 -10.047 1.185 8.793 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -10.526 0.010 9.096 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -10.846 2.127 8.371 1.00 2.61 N ATOM 0 H ARG A 184 -5.224 0.548 5.165 1.00 0.35 H new ATOM 0 HA ARG A 184 -4.776 2.171 7.633 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -6.984 0.987 7.006 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -6.152 -0.523 7.324 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -5.720 0.096 9.643 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -6.212 1.755 9.362 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -8.110 -0.603 8.933 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -7.974 0.217 10.476 1.00 1.51 H new ATOM 0 HE ARG A 184 -8.393 2.336 8.668 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -9.901 -0.726 9.425 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -11.525 -0.173 9.004 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -10.471 3.045 8.134 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -11.845 1.945 8.279 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.568 0.950 7.964 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.353 0.198 8.401 1.00 0.31 C ATOM 1864 C PHE A 185 -1.617 -0.506 9.742 1.00 0.31 C ATOM 1865 O PHE A 185 -2.206 0.054 10.645 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.200 1.204 8.547 1.00 0.40 C ATOM 1867 CG PHE A 185 0.956 0.601 9.315 1.00 0.44 C ATOM 1868 CD1 PHE A 185 0.898 0.517 10.711 1.00 0.65 C ATOM 1869 CD2 PHE A 185 2.092 0.143 8.634 1.00 0.62 C ATOM 1870 CE1 PHE A 185 1.972 -0.024 11.424 1.00 0.75 C ATOM 1871 CE2 PHE A 185 3.166 -0.396 9.349 1.00 0.74 C ATOM 1872 CZ PHE A 185 3.106 -0.480 10.742 1.00 0.71 C ATOM 0 H PHE A 185 -2.462 1.964 7.955 1.00 0.31 H new ATOM 0 HA PHE A 185 -1.097 -0.565 7.666 1.00 0.31 H new ATOM 0 HB2 PHE A 185 0.140 1.518 7.560 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -0.556 2.097 9.061 1.00 0.40 H new ATOM 0 HD1 PHE A 185 0.024 0.870 11.237 1.00 0.65 H new ATOM 0 HD2 PHE A 185 2.138 0.206 7.557 1.00 0.62 H new ATOM 0 HE1 PHE A 185 1.927 -0.090 12.501 1.00 0.75 H new ATOM 0 HE2 PHE A 185 4.042 -0.747 8.824 1.00 0.74 H new ATOM 0 HZ PHE A 185 3.936 -0.897 11.293 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.188 -1.738 9.869 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.410 -2.493 11.137 1.00 0.32 C ATOM 1884 C ASP A 186 -0.310 -3.552 11.309 1.00 0.30 C ATOM 1885 O ASP A 186 -0.557 -4.735 11.195 1.00 0.32 O ATOM 1886 CB ASP A 186 -2.769 -3.180 11.047 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.233 -3.609 12.443 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -2.575 -3.250 13.405 1.00 1.16 O ATOM 1889 OD2 ASP A 186 -4.240 -4.293 12.524 1.00 1.23 O ATOM 0 H ASP A 186 -0.691 -2.254 9.143 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.382 -1.815 11.990 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.499 -2.503 10.604 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.703 -4.050 10.393 1.00 0.37 H new ATOM 1894 N SER A 187 0.900 -3.127 11.578 1.00 0.33 N ATOM 1895 CA SER A 187 2.037 -4.087 11.748 1.00 0.34 C ATOM 1896 C SER A 187 1.621 -5.291 12.609 1.00 0.35 C ATOM 1897 O SER A 187 2.326 -6.277 12.680 1.00 0.37 O ATOM 1898 CB SER A 187 3.219 -3.352 12.405 1.00 0.40 C ATOM 1899 OG SER A 187 4.252 -3.194 11.442 1.00 1.32 O ATOM 0 H SER A 187 1.152 -2.145 11.688 1.00 0.33 H new ATOM 0 HA SER A 187 2.331 -4.463 10.768 1.00 0.34 H new ATOM 0 HB2 SER A 187 2.898 -2.379 12.778 1.00 0.40 H new ATOM 0 HB3 SER A 187 3.585 -3.917 13.262 1.00 0.40 H new ATOM 0 HG SER A 187 5.035 -3.718 11.713 1.00 1.32 H new ATOM 1905 N ARG A 188 0.498 -5.229 13.265 1.00 0.40 N ATOM 1906 CA ARG A 188 0.084 -6.383 14.108 1.00 0.46 C ATOM 1907 C ARG A 188 -0.111 -7.612 13.218 1.00 0.42 C ATOM 1908 O ARG A 188 0.156 -8.728 13.617 1.00 0.43 O ATOM 1909 CB ARG A 188 -1.228 -6.053 14.821 1.00 0.58 C ATOM 1910 CG ARG A 188 -1.589 -7.193 15.773 1.00 1.40 C ATOM 1911 CD ARG A 188 -2.825 -6.810 16.587 1.00 1.75 C ATOM 1912 NE ARG A 188 -3.402 -8.033 17.212 1.00 2.37 N ATOM 1913 CZ ARG A 188 -4.263 -7.923 18.185 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -4.619 -6.742 18.611 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -4.767 -8.995 18.733 1.00 3.87 N ATOM 0 H ARG A 188 -0.146 -4.438 13.255 1.00 0.40 H new ATOM 0 HA ARG A 188 0.855 -6.588 14.851 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -1.129 -5.119 15.375 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -2.025 -5.908 14.091 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -1.782 -8.105 15.208 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -0.752 -7.402 16.440 1.00 1.40 H new ATOM 0 HD2 ARG A 188 -2.558 -6.086 17.357 1.00 1.75 H new ATOM 0 HD3 ARG A 188 -3.565 -6.333 15.944 1.00 1.75 H new ATOM 0 HE ARG A 188 -3.124 -8.956 16.879 1.00 2.37 H new ATOM 0 HH11 ARG A 188 -4.224 -5.905 18.183 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -5.293 -6.656 19.372 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -4.487 -9.918 18.400 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -5.441 -8.910 19.494 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.562 -7.415 12.012 1.00 0.43 N ATOM 1930 CA LEU A 189 -0.760 -8.567 11.091 1.00 0.46 C ATOM 1931 C LEU A 189 0.593 -9.208 10.789 1.00 0.41 C ATOM 1932 O LEU A 189 0.690 -10.142 10.018 1.00 0.46 O ATOM 1933 CB LEU A 189 -1.402 -8.086 9.787 1.00 0.57 C ATOM 1934 CG LEU A 189 -2.824 -7.573 10.060 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -3.388 -6.947 8.779 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -3.736 -8.733 10.521 1.00 1.78 C ATOM 0 H LEU A 189 -0.803 -6.503 11.623 1.00 0.43 H new ATOM 0 HA LEU A 189 -1.416 -9.299 11.562 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -0.799 -7.293 9.346 1.00 0.57 H new ATOM 0 HB3 LEU A 189 -1.433 -8.902 9.065 1.00 0.57 H new ATOM 0 HG LEU A 189 -2.788 -6.825 10.852 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -4.397 -6.581 8.967 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -2.753 -6.117 8.469 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -3.415 -7.697 7.989 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -4.740 -8.353 10.710 1.00 1.78 H new ATOM 0 HD22 LEU A 189 -3.777 -9.495 9.743 1.00 1.78 H new ATOM 0 HD23 LEU A 189 -3.335 -9.170 11.436 1.00 1.78 H new ATOM 1948 N ALA A 190 1.640 -8.721 11.395 1.00 0.37 N ATOM 1949 CA ALA A 190 2.979 -9.314 11.144 1.00 0.42 C ATOM 1950 C ALA A 190 3.032 -10.674 11.830 1.00 0.44 C ATOM 1951 O ALA A 190 4.038 -11.355 11.816 1.00 0.53 O ATOM 1952 CB ALA A 190 4.065 -8.402 11.720 1.00 0.47 C ATOM 0 H ALA A 190 1.625 -7.940 12.051 1.00 0.37 H new ATOM 0 HA ALA A 190 3.148 -9.424 10.073 1.00 0.42 H new ATOM 0 HB1 ALA A 190 5.045 -8.841 11.534 1.00 0.47 H new ATOM 0 HB2 ALA A 190 4.009 -7.423 11.243 1.00 0.47 H new ATOM 0 HB3 ALA A 190 3.915 -8.291 12.794 1.00 0.47 H new ATOM 1958 N PHE A 191 1.936 -11.071 12.426 1.00 0.42 N ATOM 1959 CA PHE A 191 1.872 -12.395 13.123 1.00 0.51 C ATOM 1960 C PHE A 191 0.648 -13.165 12.621 1.00 0.56 C ATOM 1961 O PHE A 191 0.769 -14.180 11.964 1.00 0.96 O ATOM 1962 CB PHE A 191 1.752 -12.171 14.633 1.00 0.58 C ATOM 1963 CG PHE A 191 2.921 -11.345 15.111 1.00 1.14 C ATOM 1964 CD1 PHE A 191 4.152 -11.959 15.372 1.00 1.81 C ATOM 1965 CD2 PHE A 191 2.775 -9.964 15.292 1.00 1.98 C ATOM 1966 CE1 PHE A 191 5.238 -11.191 15.814 1.00 2.75 C ATOM 1967 CE2 PHE A 191 3.859 -9.197 15.733 1.00 2.87 C ATOM 1968 CZ PHE A 191 5.091 -9.811 15.994 1.00 3.15 C ATOM 0 H PHE A 191 1.073 -10.529 12.460 1.00 0.42 H new ATOM 0 HA PHE A 191 2.777 -12.966 12.914 1.00 0.51 H new ATOM 0 HB2 PHE A 191 0.815 -11.663 14.863 1.00 0.58 H new ATOM 0 HB3 PHE A 191 1.732 -13.128 15.153 1.00 0.58 H new ATOM 0 HD1 PHE A 191 4.265 -13.024 15.233 1.00 1.81 H new ATOM 0 HD2 PHE A 191 1.825 -9.491 15.091 1.00 1.98 H new ATOM 0 HE1 PHE A 191 6.188 -11.664 16.016 1.00 2.75 H new ATOM 0 HE2 PHE A 191 3.746 -8.132 15.872 1.00 2.87 H new ATOM 0 HZ PHE A 191 5.928 -9.219 16.334 1.00 3.15 H new ATOM 1978 N HIS A 192 -0.529 -12.687 12.919 1.00 0.64 N ATOM 1979 CA HIS A 192 -1.759 -13.388 12.453 1.00 0.72 C ATOM 1980 C HIS A 192 -1.946 -13.145 10.953 1.00 0.67 C ATOM 1981 O HIS A 192 -1.969 -12.020 10.495 1.00 1.26 O ATOM 1982 CB HIS A 192 -2.972 -12.848 13.213 1.00 1.01 C ATOM 1983 CG HIS A 192 -4.157 -13.742 12.969 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -5.201 -13.376 12.136 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -4.475 -14.991 13.442 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -6.090 -14.385 12.134 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -5.696 -15.395 12.913 1.00 3.35 N ATOM 0 H HIS A 192 -0.692 -11.841 13.465 1.00 0.64 H new ATOM 0 HA HIS A 192 -1.661 -14.458 12.639 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -2.754 -12.799 14.280 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -3.196 -11.832 12.887 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -3.869 -15.572 14.122 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -7.011 -14.379 11.570 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -6.185 -16.274 13.083 1.00 3.35 H new ATOM 1995 N HIS A 193 -2.082 -14.194 10.182 1.00 0.77 N ATOM 1996 CA HIS A 193 -2.270 -14.035 8.704 1.00 0.85 C ATOM 1997 C HIS A 193 -3.768 -14.111 8.376 1.00 0.74 C ATOM 1998 O HIS A 193 -4.387 -15.147 8.495 1.00 0.78 O ATOM 1999 CB HIS A 193 -1.506 -15.155 7.963 1.00 1.28 C ATOM 2000 CG HIS A 193 -1.380 -16.369 8.848 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -0.148 -16.862 9.247 1.00 2.84 N ATOM 2002 CD2 HIS A 193 -2.318 -17.198 9.418 1.00 2.99 C ATOM 2003 CE1 HIS A 193 -0.372 -17.939 10.022 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -1.678 -18.188 10.158 1.00 3.87 N ATOM 0 H HIS A 193 -2.071 -15.159 10.512 1.00 0.77 H new ATOM 0 HA HIS A 193 -1.880 -13.069 8.382 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -2.031 -15.418 7.045 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -0.516 -14.801 7.674 1.00 1.28 H new ATOM 0 HD2 HIS A 193 -3.388 -17.096 9.308 1.00 2.99 H new ATOM 0 HE1 HIS A 193 0.408 -18.530 10.478 1.00 3.75 H new ATOM 0 HE2 HIS A 193 -2.113 -18.942 10.690 1.00 3.87 H new ATOM 2012 N MET A 194 -4.354 -13.017 7.960 1.00 0.73 N ATOM 2013 CA MET A 194 -5.808 -13.037 7.623 1.00 0.79 C ATOM 2014 C MET A 194 -5.993 -13.619 6.216 1.00 0.75 C ATOM 2015 O MET A 194 -6.941 -14.332 5.951 1.00 0.90 O ATOM 2016 CB MET A 194 -6.402 -11.606 7.703 1.00 0.91 C ATOM 2017 CG MET A 194 -5.315 -10.540 7.500 1.00 1.47 C ATOM 2018 SD MET A 194 -4.606 -10.685 5.839 1.00 2.35 S ATOM 2019 CE MET A 194 -2.863 -10.482 6.289 1.00 2.94 C ATOM 0 H MET A 194 -3.891 -12.116 7.840 1.00 0.73 H new ATOM 0 HA MET A 194 -6.337 -13.662 8.342 1.00 0.79 H new ATOM 0 HB2 MET A 194 -7.176 -11.488 6.945 1.00 0.91 H new ATOM 0 HB3 MET A 194 -6.880 -11.462 8.672 1.00 0.91 H new ATOM 0 HG2 MET A 194 -5.739 -9.545 7.637 1.00 1.47 H new ATOM 0 HG3 MET A 194 -4.533 -10.659 8.250 1.00 1.47 H new ATOM 0 HE1 MET A 194 -2.311 -10.085 5.437 1.00 2.94 H new ATOM 0 HE2 MET A 194 -2.782 -9.791 7.128 1.00 2.94 H new ATOM 0 HE3 MET A 194 -2.446 -11.448 6.573 1.00 2.94 H new ATOM 2029 N ALA A 195 -5.095 -13.331 5.314 1.00 0.66 N ATOM 2030 CA ALA A 195 -5.226 -13.877 3.933 1.00 0.76 C ATOM 2031 C ALA A 195 -5.389 -15.394 4.010 1.00 0.90 C ATOM 2032 O ALA A 195 -6.110 -15.996 3.235 1.00 1.11 O ATOM 2033 CB ALA A 195 -3.968 -13.540 3.131 1.00 0.82 C ATOM 0 H ALA A 195 -4.277 -12.742 5.473 1.00 0.66 H new ATOM 0 HA ALA A 195 -6.095 -13.437 3.444 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -4.063 -13.939 2.121 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -3.846 -12.458 3.084 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -3.098 -13.983 3.616 1.00 0.82 H new