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 -60:sc= -0.356 USER MOD Set 1.2: A 89 HIS : no HE2:sc= -1.08 K(o=-1.4,f=-5.6!) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 81 TYR OH : rot 16:sc= 0.33 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -157:sc= -0.0119 (180deg=-0.553) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HE2:sc= -6.31! C(o=-6.3!,f=-20!) USER MOD Single : A 103 SER OG : rot 120:sc= -0.359! USER MOD Single : A 104 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) 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 X(o=0,f=-0.0043) USER MOD Single : A 117 THR OG1 : rot -96:sc= 1.02 USER MOD Single : A 118 GLN :FLIP amide:sc= -1.14 F(o=-2.8!,f=-1.1) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -1.98 K(o=-2,f=-4.3!) USER MOD Single : A 126 ASN :FLIP amide:sc= -0.687 F(o=-1.4,f=-0.69) USER MOD Single : A 127 TYR OH : rot 180:sc= -0.248 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 -137:sc= 1.06 USER MOD Single : A 142 CYS SG : rot 55:sc= -0.998 USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ -161:sc= -1.92! (180deg=-2.19) USER MOD Single : A 187 SER OG : rot -82:sc= 1.36 USER MOD Single : A 192 HIS : no HD1:sc= -0.4 X(o=-0.4,f=-0.33) USER MOD Single : A 193 HIS : no HE2:sc= -0.844! C(o=-0.84!,f=-8.8!) USER MOD Single : A 194 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 17.977 -1.779 -9.173 1.00 1.04 N ATOM 275 CA VAL A 74 19.156 -2.449 -8.552 1.00 0.93 C ATOM 276 C VAL A 74 18.905 -3.961 -8.589 1.00 0.86 C ATOM 277 O VAL A 74 17.768 -4.387 -8.626 1.00 0.89 O ATOM 278 CB VAL A 74 19.278 -1.977 -7.095 1.00 1.09 C ATOM 279 CG1 VAL A 74 19.816 -0.544 -7.052 1.00 1.17 C ATOM 280 CG2 VAL A 74 17.896 -2.016 -6.438 1.00 1.38 C ATOM 0 HA VAL A 74 20.075 -2.208 -9.086 1.00 0.93 H new ATOM 0 HB VAL A 74 19.965 -2.633 -6.561 1.00 1.09 H new ATOM 0 HG11 VAL A 74 19.899 -0.218 -6.015 1.00 1.17 H new ATOM 0 HG12 VAL A 74 20.798 -0.510 -7.523 1.00 1.17 H new ATOM 0 HG13 VAL A 74 19.134 0.117 -7.587 1.00 1.17 H new ATOM 0 HG21 VAL A 74 17.975 -1.682 -5.403 1.00 1.38 H new ATOM 0 HG22 VAL A 74 17.217 -1.358 -6.980 1.00 1.38 H new ATOM 0 HG23 VAL A 74 17.510 -3.035 -6.462 1.00 1.38 H new ATOM 290 N PRO A 75 19.940 -4.771 -8.588 1.00 0.93 N ATOM 291 CA PRO A 75 19.790 -6.253 -8.629 1.00 1.00 C ATOM 292 C PRO A 75 18.543 -6.732 -7.879 1.00 0.88 C ATOM 293 O PRO A 75 18.308 -6.369 -6.743 1.00 0.84 O ATOM 294 CB PRO A 75 21.072 -6.735 -7.955 1.00 1.18 C ATOM 295 CG PRO A 75 22.107 -5.726 -8.359 1.00 1.37 C ATOM 296 CD PRO A 75 21.365 -4.385 -8.554 1.00 1.13 C ATOM 0 HA PRO A 75 19.657 -6.639 -9.640 1.00 1.00 H new ATOM 0 HB2 PRO A 75 20.960 -6.777 -6.872 1.00 1.18 H new ATOM 0 HB3 PRO A 75 21.343 -7.737 -8.287 1.00 1.18 H new ATOM 0 HG2 PRO A 75 22.878 -5.634 -7.594 1.00 1.37 H new ATOM 0 HG3 PRO A 75 22.606 -6.030 -9.279 1.00 1.37 H new ATOM 0 HD2 PRO A 75 21.572 -3.691 -7.739 1.00 1.13 H new ATOM 0 HD3 PRO A 75 21.668 -3.891 -9.477 1.00 1.13 H new ATOM 304 N LEU A 76 17.730 -7.523 -8.523 1.00 0.86 N ATOM 305 CA LEU A 76 16.479 -8.006 -7.869 1.00 0.77 C ATOM 306 C LEU A 76 16.820 -8.785 -6.600 1.00 0.77 C ATOM 307 O LEU A 76 17.168 -9.948 -6.643 1.00 0.85 O ATOM 308 CB LEU A 76 15.703 -8.919 -8.830 1.00 0.84 C ATOM 309 CG LEU A 76 15.309 -8.152 -10.104 1.00 0.87 C ATOM 310 CD1 LEU A 76 14.864 -9.150 -11.181 1.00 1.01 C ATOM 311 CD2 LEU A 76 14.150 -7.182 -9.811 1.00 0.76 C ATOM 0 H LEU A 76 17.877 -7.857 -9.475 1.00 0.86 H new ATOM 0 HA LEU A 76 15.864 -7.144 -7.611 1.00 0.77 H new ATOM 0 HB2 LEU A 76 16.314 -9.783 -9.093 1.00 0.84 H new ATOM 0 HB3 LEU A 76 14.809 -9.299 -8.337 1.00 0.84 H new ATOM 0 HG LEU A 76 16.172 -7.583 -10.451 1.00 0.87 H new ATOM 0 HD11 LEU A 76 14.584 -8.609 -12.085 1.00 1.01 H new ATOM 0 HD12 LEU A 76 15.684 -9.832 -11.406 1.00 1.01 H new ATOM 0 HD13 LEU A 76 14.007 -9.719 -10.819 1.00 1.01 H new ATOM 0 HD21 LEU A 76 13.884 -6.647 -10.723 1.00 0.76 H new ATOM 0 HD22 LEU A 76 13.287 -7.744 -9.454 1.00 0.76 H new ATOM 0 HD23 LEU A 76 14.458 -6.467 -9.048 1.00 0.76 H new ATOM 323 N ARG A 77 16.707 -8.149 -5.467 1.00 0.74 N ATOM 324 CA ARG A 77 17.006 -8.841 -4.184 1.00 0.79 C ATOM 325 C ARG A 77 15.799 -9.713 -3.806 1.00 0.71 C ATOM 326 O ARG A 77 14.681 -9.402 -4.165 1.00 0.73 O ATOM 327 CB ARG A 77 17.231 -7.789 -3.094 1.00 0.85 C ATOM 328 CG ARG A 77 18.547 -7.051 -3.348 1.00 1.19 C ATOM 329 CD ARG A 77 18.789 -6.047 -2.217 1.00 1.52 C ATOM 330 NE ARG A 77 19.943 -5.171 -2.567 1.00 2.13 N ATOM 331 CZ ARG A 77 20.144 -4.061 -1.908 1.00 2.66 C ATOM 332 NH1 ARG A 77 19.331 -3.713 -0.947 1.00 2.73 N ATOM 333 NH2 ARG A 77 21.157 -3.296 -2.212 1.00 3.61 N ATOM 0 H ARG A 77 16.419 -7.175 -5.375 1.00 0.74 H new ATOM 0 HA ARG A 77 17.897 -9.461 -4.285 1.00 0.79 H new ATOM 0 HB2 ARG A 77 16.403 -7.081 -3.083 1.00 0.85 H new ATOM 0 HB3 ARG A 77 17.255 -8.267 -2.114 1.00 0.85 H new ATOM 0 HG2 ARG A 77 19.372 -7.762 -3.402 1.00 1.19 H new ATOM 0 HG3 ARG A 77 18.509 -6.534 -4.307 1.00 1.19 H new ATOM 0 HD2 ARG A 77 17.896 -5.443 -2.056 1.00 1.52 H new ATOM 0 HD3 ARG A 77 18.989 -6.575 -1.285 1.00 1.52 H new ATOM 0 HE ARG A 77 20.576 -5.438 -3.321 1.00 2.13 H new ATOM 0 HH11 ARG A 77 18.537 -4.308 -0.710 1.00 2.73 H new ATOM 0 HH12 ARG A 77 19.490 -2.846 -0.434 1.00 2.73 H new ATOM 0 HH21 ARG A 77 21.792 -3.565 -2.964 1.00 3.61 H new ATOM 0 HH22 ARG A 77 21.314 -2.429 -1.698 1.00 3.61 H new ATOM 347 N PRO A 78 16.006 -10.788 -3.084 1.00 0.79 N ATOM 348 CA PRO A 78 14.887 -11.683 -2.661 1.00 0.76 C ATOM 349 C PRO A 78 14.020 -11.030 -1.573 1.00 0.67 C ATOM 350 O PRO A 78 14.469 -10.791 -0.470 1.00 0.69 O ATOM 351 CB PRO A 78 15.603 -12.932 -2.124 1.00 0.86 C ATOM 352 CG PRO A 78 16.945 -12.444 -1.673 1.00 1.18 C ATOM 353 CD PRO A 78 17.311 -11.277 -2.597 1.00 1.06 C ATOM 0 HA PRO A 78 14.200 -11.906 -3.478 1.00 0.76 H new ATOM 0 HB2 PRO A 78 15.049 -13.381 -1.300 1.00 0.86 H new ATOM 0 HB3 PRO A 78 15.699 -13.695 -2.897 1.00 0.86 H new ATOM 0 HG2 PRO A 78 16.912 -12.121 -0.633 1.00 1.18 H new ATOM 0 HG3 PRO A 78 17.689 -13.238 -1.736 1.00 1.18 H new ATOM 0 HD2 PRO A 78 17.855 -10.499 -2.062 1.00 1.06 H new ATOM 0 HD3 PRO A 78 17.948 -11.603 -3.419 1.00 1.06 H new ATOM 361 N MET A 79 12.784 -10.738 -1.881 1.00 0.65 N ATOM 362 CA MET A 79 11.894 -10.098 -0.870 1.00 0.61 C ATOM 363 C MET A 79 11.640 -11.073 0.281 1.00 0.51 C ATOM 364 O MET A 79 10.904 -12.032 0.149 1.00 0.56 O ATOM 365 CB MET A 79 10.565 -9.714 -1.526 1.00 0.66 C ATOM 366 CG MET A 79 9.765 -8.825 -0.574 1.00 0.74 C ATOM 367 SD MET A 79 10.572 -7.210 -0.438 1.00 1.25 S ATOM 368 CE MET A 79 9.080 -6.236 -0.122 1.00 0.83 C ATOM 0 H MET A 79 12.353 -10.915 -2.788 1.00 0.65 H new ATOM 0 HA MET A 79 12.375 -9.201 -0.481 1.00 0.61 H new ATOM 0 HB2 MET A 79 10.748 -9.189 -2.463 1.00 0.66 H new ATOM 0 HB3 MET A 79 9.995 -10.611 -1.769 1.00 0.66 H new ATOM 0 HG2 MET A 79 8.746 -8.705 -0.941 1.00 0.74 H new ATOM 0 HG3 MET A 79 9.697 -9.294 0.408 1.00 0.74 H new ATOM 0 HE1 MET A 79 9.349 -5.186 -0.003 1.00 0.83 H new ATOM 0 HE2 MET A 79 8.392 -6.342 -0.961 1.00 0.83 H new ATOM 0 HE3 MET A 79 8.599 -6.592 0.789 1.00 0.83 H new ATOM 378 N THR A 80 12.254 -10.839 1.412 1.00 0.56 N ATOM 379 CA THR A 80 12.067 -11.753 2.578 1.00 0.60 C ATOM 380 C THR A 80 10.867 -11.327 3.406 1.00 0.56 C ATOM 381 O THR A 80 10.522 -10.166 3.466 1.00 0.50 O ATOM 382 CB THR A 80 13.323 -11.727 3.454 1.00 0.77 C ATOM 383 OG1 THR A 80 13.394 -10.489 4.148 1.00 0.94 O ATOM 384 CG2 THR A 80 14.563 -11.895 2.575 1.00 0.73 C ATOM 0 H THR A 80 12.880 -10.051 1.579 1.00 0.56 H new ATOM 0 HA THR A 80 11.895 -12.762 2.205 1.00 0.60 H new ATOM 0 HB THR A 80 13.278 -12.543 4.176 1.00 0.77 H new ATOM 0 HG1 THR A 80 14.197 -10.474 4.709 1.00 0.94 H new ATOM 0 HG21 THR A 80 15.457 -11.876 3.199 1.00 0.73 H new ATOM 0 HG22 THR A 80 14.509 -12.847 2.047 1.00 0.73 H new ATOM 0 HG23 THR A 80 14.609 -11.081 1.851 1.00 0.73 H new ATOM 392 N TYR A 81 10.239 -12.260 4.079 1.00 0.61 N ATOM 393 CA TYR A 81 9.086 -11.892 4.944 1.00 0.60 C ATOM 394 C TYR A 81 9.586 -10.760 5.838 1.00 0.51 C ATOM 395 O TYR A 81 8.935 -9.751 6.028 1.00 0.45 O ATOM 396 CB TYR A 81 8.657 -13.128 5.769 1.00 0.69 C ATOM 397 CG TYR A 81 8.206 -12.735 7.164 1.00 0.60 C ATOM 398 CD1 TYR A 81 6.967 -12.111 7.352 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.033 -12.992 8.265 1.00 0.71 C ATOM 400 CE1 TYR A 81 6.555 -11.746 8.639 1.00 0.66 C ATOM 401 CE2 TYR A 81 8.620 -12.628 9.552 1.00 0.77 C ATOM 402 CZ TYR A 81 7.382 -12.005 9.739 1.00 0.73 C ATOM 403 OH TYR A 81 6.976 -11.644 11.007 1.00 0.90 O ATOM 0 H TYR A 81 10.476 -13.252 4.065 1.00 0.61 H new ATOM 0 HA TYR A 81 8.214 -11.570 4.376 1.00 0.60 H new ATOM 0 HB2 TYR A 81 7.847 -13.646 5.256 1.00 0.69 H new ATOM 0 HB3 TYR A 81 9.490 -13.828 5.838 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.329 -11.911 6.504 1.00 0.59 H new ATOM 0 HD2 TYR A 81 9.990 -13.471 8.121 1.00 0.71 H new ATOM 0 HE1 TYR A 81 5.599 -11.265 8.784 1.00 0.66 H new ATOM 0 HE2 TYR A 81 9.257 -12.828 10.401 1.00 0.77 H new ATOM 0 HH TYR A 81 6.015 -11.454 11.001 1.00 0.90 H new ATOM 413 N LYS A 82 10.775 -10.919 6.346 1.00 0.52 N ATOM 414 CA LYS A 82 11.372 -9.856 7.179 1.00 0.48 C ATOM 415 C LYS A 82 11.490 -8.596 6.319 1.00 0.40 C ATOM 416 O LYS A 82 11.445 -7.489 6.820 1.00 0.38 O ATOM 417 CB LYS A 82 12.761 -10.294 7.661 1.00 0.55 C ATOM 418 CG LYS A 82 13.196 -9.427 8.850 1.00 0.60 C ATOM 419 CD LYS A 82 14.487 -9.991 9.457 1.00 0.92 C ATOM 420 CE LYS A 82 15.665 -9.764 8.503 1.00 1.49 C ATOM 421 NZ LYS A 82 16.944 -9.938 9.248 1.00 2.32 N ATOM 0 H LYS A 82 11.357 -11.746 6.216 1.00 0.52 H new ATOM 0 HA LYS A 82 10.750 -9.660 8.052 1.00 0.48 H new ATOM 0 HB2 LYS A 82 12.740 -11.344 7.953 1.00 0.55 H new ATOM 0 HB3 LYS A 82 13.483 -10.203 6.849 1.00 0.55 H new ATOM 0 HG2 LYS A 82 13.355 -8.399 8.524 1.00 0.60 H new ATOM 0 HG3 LYS A 82 12.408 -9.404 9.603 1.00 0.60 H new ATOM 0 HD2 LYS A 82 14.687 -9.510 10.414 1.00 0.92 H new ATOM 0 HD3 LYS A 82 14.369 -11.057 9.654 1.00 0.92 H new ATOM 0 HE2 LYS A 82 15.616 -10.468 7.673 1.00 1.49 H new ATOM 0 HE3 LYS A 82 15.613 -8.763 8.075 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 17.745 -9.784 8.603 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 16.989 -9.249 10.026 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 16.992 -10.902 9.636 1.00 2.32 H new ATOM 435 N ALA A 83 11.646 -8.748 5.018 1.00 0.42 N ATOM 436 CA ALA A 83 11.764 -7.532 4.157 1.00 0.41 C ATOM 437 C ALA A 83 10.454 -6.737 4.198 1.00 0.35 C ATOM 438 O ALA A 83 10.454 -5.529 4.338 1.00 0.34 O ATOM 439 CB ALA A 83 12.067 -7.940 2.713 1.00 0.52 C ATOM 0 H ALA A 83 11.695 -9.642 4.530 1.00 0.42 H new ATOM 0 HA ALA A 83 12.577 -6.911 4.533 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.151 -7.048 2.093 1.00 0.52 H new ATOM 0 HB2 ALA A 83 13.005 -8.494 2.681 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.261 -8.569 2.336 1.00 0.52 H new ATOM 445 N ALA A 84 9.336 -7.401 4.070 1.00 0.34 N ATOM 446 CA ALA A 84 8.029 -6.680 4.093 1.00 0.31 C ATOM 447 C ALA A 84 7.845 -5.988 5.445 1.00 0.28 C ATOM 448 O ALA A 84 7.502 -4.823 5.511 1.00 0.28 O ATOM 449 CB ALA A 84 6.893 -7.683 3.874 1.00 0.34 C ATOM 0 H ALA A 84 9.271 -8.412 3.950 1.00 0.34 H new ATOM 0 HA ALA A 84 8.014 -5.931 3.301 1.00 0.31 H new ATOM 0 HB1 ALA A 84 5.937 -7.159 3.890 1.00 0.34 H new ATOM 0 HB2 ALA A 84 7.022 -8.173 2.909 1.00 0.34 H new ATOM 0 HB3 ALA A 84 6.910 -8.431 4.666 1.00 0.34 H new ATOM 455 N VAL A 85 8.066 -6.687 6.524 1.00 0.29 N ATOM 456 CA VAL A 85 7.896 -6.053 7.862 1.00 0.29 C ATOM 457 C VAL A 85 8.900 -4.913 8.010 1.00 0.29 C ATOM 458 O VAL A 85 8.582 -3.859 8.525 1.00 0.30 O ATOM 459 CB VAL A 85 8.127 -7.091 8.962 1.00 0.33 C ATOM 460 CG1 VAL A 85 7.694 -6.515 10.313 1.00 0.37 C ATOM 461 CG2 VAL A 85 7.305 -8.346 8.661 1.00 0.38 C ATOM 0 H VAL A 85 8.356 -7.665 6.538 1.00 0.29 H new ATOM 0 HA VAL A 85 6.883 -5.661 7.952 1.00 0.29 H new ATOM 0 HB VAL A 85 9.186 -7.347 8.998 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.860 -7.256 11.095 1.00 0.37 H new ATOM 0 HG12 VAL A 85 8.278 -5.621 10.531 1.00 0.37 H new ATOM 0 HG13 VAL A 85 6.636 -6.257 10.276 1.00 0.37 H new ATOM 0 HG21 VAL A 85 7.470 -9.085 9.445 1.00 0.38 H new ATOM 0 HG22 VAL A 85 6.247 -8.087 8.623 1.00 0.38 H new ATOM 0 HG23 VAL A 85 7.612 -8.760 7.701 1.00 0.38 H new ATOM 471 N ASP A 86 10.104 -5.103 7.552 1.00 0.30 N ATOM 472 CA ASP A 86 11.108 -4.014 7.660 1.00 0.32 C ATOM 473 C ASP A 86 10.593 -2.816 6.866 1.00 0.30 C ATOM 474 O ASP A 86 10.502 -1.713 7.369 1.00 0.31 O ATOM 475 CB ASP A 86 12.443 -4.483 7.075 1.00 0.36 C ATOM 476 CG ASP A 86 13.079 -5.512 8.011 1.00 0.42 C ATOM 477 OD1 ASP A 86 12.464 -5.830 9.015 1.00 1.05 O ATOM 478 OD2 ASP A 86 14.170 -5.964 7.706 1.00 1.23 O ATOM 0 H ASP A 86 10.434 -5.961 7.110 1.00 0.30 H new ATOM 0 HA ASP A 86 11.260 -3.741 8.704 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.286 -4.921 6.089 1.00 0.36 H new ATOM 0 HB3 ASP A 86 13.113 -3.633 6.943 1.00 0.36 H new ATOM 483 N LEU A 87 10.240 -3.033 5.630 1.00 0.29 N ATOM 484 CA LEU A 87 9.712 -1.920 4.797 1.00 0.30 C ATOM 485 C LEU A 87 8.422 -1.385 5.421 1.00 0.29 C ATOM 486 O LEU A 87 8.166 -0.197 5.416 1.00 0.30 O ATOM 487 CB LEU A 87 9.422 -2.435 3.384 1.00 0.33 C ATOM 488 CG LEU A 87 9.149 -1.254 2.434 1.00 0.42 C ATOM 489 CD1 LEU A 87 10.463 -0.542 2.061 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.470 -1.776 1.162 1.00 0.44 C ATOM 0 H LEU A 87 10.295 -3.937 5.160 1.00 0.29 H new ATOM 0 HA LEU A 87 10.450 -1.119 4.747 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.269 -3.016 3.020 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.561 -3.103 3.402 1.00 0.33 H new ATOM 0 HG LEU A 87 8.498 -0.539 2.938 1.00 0.42 H new ATOM 0 HD11 LEU A 87 10.248 0.289 1.389 1.00 0.52 H new ATOM 0 HD12 LEU A 87 10.941 -0.164 2.965 1.00 0.52 H new ATOM 0 HD13 LEU A 87 11.130 -1.247 1.565 1.00 0.52 H new ATOM 0 HD21 LEU A 87 8.275 -0.944 0.486 1.00 0.44 H new ATOM 0 HD22 LEU A 87 9.123 -2.497 0.670 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.529 -2.259 1.424 1.00 0.44 H new ATOM 502 N SER A 88 7.601 -2.249 5.958 1.00 0.30 N ATOM 503 CA SER A 88 6.331 -1.775 6.573 1.00 0.34 C ATOM 504 C SER A 88 6.633 -0.676 7.594 1.00 0.33 C ATOM 505 O SER A 88 6.085 0.408 7.535 1.00 0.36 O ATOM 506 CB SER A 88 5.634 -2.940 7.272 1.00 0.40 C ATOM 507 OG SER A 88 6.274 -3.192 8.515 1.00 0.44 O ATOM 0 H SER A 88 7.755 -3.257 5.996 1.00 0.30 H new ATOM 0 HA SER A 88 5.681 -1.377 5.794 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.582 -2.706 7.433 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.670 -3.830 6.644 1.00 0.40 H new ATOM 0 HG SER A 88 7.214 -3.422 8.358 1.00 0.44 H new ATOM 513 N HIS A 89 7.495 -0.946 8.534 1.00 0.34 N ATOM 514 CA HIS A 89 7.820 0.084 9.561 1.00 0.36 C ATOM 515 C HIS A 89 8.675 1.192 8.942 1.00 0.36 C ATOM 516 O HIS A 89 8.705 2.305 9.428 1.00 0.41 O ATOM 517 CB HIS A 89 8.587 -0.563 10.716 1.00 0.41 C ATOM 518 CG HIS A 89 7.758 -1.665 11.316 1.00 0.52 C ATOM 519 ND1 HIS A 89 8.326 -2.828 11.816 1.00 1.43 N ATOM 520 CD2 HIS A 89 6.406 -1.796 11.507 1.00 1.01 C ATOM 521 CE1 HIS A 89 7.326 -3.600 12.278 1.00 1.27 C ATOM 522 NE2 HIS A 89 6.135 -3.019 12.113 1.00 0.82 N ATOM 0 H HIS A 89 7.988 -1.833 8.636 1.00 0.34 H new ATOM 0 HA HIS A 89 6.891 0.514 9.935 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.536 -0.962 10.358 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.821 0.184 11.474 1.00 0.41 H new ATOM 0 HD1 HIS A 89 9.320 -3.056 11.831 1.00 1.43 H new ATOM 0 HD2 HIS A 89 5.664 -1.062 11.229 1.00 1.01 H new ATOM 0 HE1 HIS A 89 7.469 -4.571 12.728 1.00 1.27 H new ATOM 530 N PHE A 90 9.367 0.908 7.875 1.00 0.34 N ATOM 531 CA PHE A 90 10.205 1.965 7.246 1.00 0.37 C ATOM 532 C PHE A 90 9.305 3.138 6.862 1.00 0.40 C ATOM 533 O PHE A 90 9.483 4.250 7.317 1.00 0.47 O ATOM 534 CB PHE A 90 10.881 1.406 5.994 1.00 0.38 C ATOM 535 CG PHE A 90 11.846 2.428 5.446 1.00 0.47 C ATOM 536 CD1 PHE A 90 11.384 3.440 4.595 1.00 0.59 C ATOM 537 CD2 PHE A 90 13.202 2.364 5.787 1.00 0.57 C ATOM 538 CE1 PHE A 90 12.279 4.388 4.086 1.00 0.70 C ATOM 539 CE2 PHE A 90 14.097 3.313 5.277 1.00 0.69 C ATOM 540 CZ PHE A 90 13.635 4.324 4.426 1.00 0.72 C ATOM 0 H PHE A 90 9.389 -0.002 7.415 1.00 0.34 H new ATOM 0 HA PHE A 90 10.972 2.298 7.946 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.409 0.483 6.234 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.131 1.158 5.243 1.00 0.38 H new ATOM 0 HD1 PHE A 90 10.338 3.489 4.332 1.00 0.59 H new ATOM 0 HD2 PHE A 90 13.558 1.583 6.443 1.00 0.57 H new ATOM 0 HE1 PHE A 90 11.923 5.169 3.431 1.00 0.70 H new ATOM 0 HE2 PHE A 90 15.143 3.265 5.540 1.00 0.69 H new ATOM 0 HZ PHE A 90 14.325 5.055 4.032 1.00 0.72 H new ATOM 550 N LEU A 91 8.333 2.892 6.029 1.00 0.37 N ATOM 551 CA LEU A 91 7.407 3.981 5.613 1.00 0.42 C ATOM 552 C LEU A 91 6.680 4.540 6.842 1.00 0.47 C ATOM 553 O LEU A 91 6.271 5.683 6.862 1.00 0.57 O ATOM 554 CB LEU A 91 6.384 3.416 4.619 1.00 0.41 C ATOM 555 CG LEU A 91 7.095 2.991 3.316 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.292 1.889 2.620 1.00 0.42 C ATOM 557 CD2 LEU A 91 7.214 4.190 2.367 1.00 0.54 C ATOM 0 H LEU A 91 8.139 1.979 5.617 1.00 0.37 H new ATOM 0 HA LEU A 91 7.973 4.783 5.140 1.00 0.42 H new ATOM 0 HB2 LEU A 91 5.871 2.561 5.059 1.00 0.41 H new ATOM 0 HB3 LEU A 91 5.624 4.166 4.401 1.00 0.41 H new ATOM 0 HG LEU A 91 8.089 2.622 3.567 1.00 0.41 H new ATOM 0 HD11 LEU A 91 6.799 1.594 1.701 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.208 1.027 3.281 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.296 2.261 2.381 1.00 0.42 H new ATOM 0 HD21 LEU A 91 7.717 3.880 1.451 1.00 0.54 H new ATOM 0 HD22 LEU A 91 6.219 4.564 2.126 1.00 0.54 H new ATOM 0 HD23 LEU A 91 7.791 4.979 2.849 1.00 0.54 H new ATOM 569 N LYS A 92 6.511 3.745 7.869 1.00 0.45 N ATOM 570 CA LYS A 92 5.804 4.243 9.085 1.00 0.53 C ATOM 571 C LYS A 92 6.607 5.379 9.728 1.00 0.63 C ATOM 572 O LYS A 92 6.128 6.064 10.609 1.00 0.85 O ATOM 573 CB LYS A 92 5.643 3.093 10.088 1.00 0.54 C ATOM 574 CG LYS A 92 4.815 3.553 11.319 1.00 0.73 C ATOM 575 CD LYS A 92 5.739 3.845 12.515 1.00 1.20 C ATOM 576 CE LYS A 92 6.084 2.536 13.238 1.00 1.61 C ATOM 577 NZ LYS A 92 4.857 1.985 13.881 1.00 2.27 N ATOM 0 H LYS A 92 6.831 2.778 7.917 1.00 0.45 H new ATOM 0 HA LYS A 92 4.821 4.619 8.801 1.00 0.53 H new ATOM 0 HB2 LYS A 92 5.150 2.249 9.606 1.00 0.54 H new ATOM 0 HB3 LYS A 92 6.624 2.746 10.412 1.00 0.54 H new ATOM 0 HG2 LYS A 92 4.244 4.447 11.067 1.00 0.73 H new ATOM 0 HG3 LYS A 92 4.095 2.781 11.589 1.00 0.73 H new ATOM 0 HD2 LYS A 92 6.651 4.332 12.171 1.00 1.20 H new ATOM 0 HD3 LYS A 92 5.250 4.534 13.204 1.00 1.20 H new ATOM 0 HE2 LYS A 92 6.492 1.814 12.531 1.00 1.61 H new ATOM 0 HE3 LYS A 92 6.852 2.715 13.990 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 5.128 1.355 14.663 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 4.278 2.766 14.250 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 4.308 1.449 13.179 1.00 2.27 H new ATOM 591 N GLU A 93 7.821 5.591 9.293 1.00 0.62 N ATOM 592 CA GLU A 93 8.637 6.691 9.882 1.00 0.76 C ATOM 593 C GLU A 93 8.026 8.032 9.478 1.00 0.77 C ATOM 594 O GLU A 93 7.447 8.732 10.287 1.00 1.05 O ATOM 595 CB GLU A 93 10.072 6.602 9.358 1.00 0.94 C ATOM 596 CG GLU A 93 10.698 5.278 9.801 1.00 1.22 C ATOM 597 CD GLU A 93 11.012 5.333 11.298 1.00 2.00 C ATOM 598 OE1 GLU A 93 10.798 6.379 11.890 1.00 2.54 O ATOM 599 OE2 GLU A 93 11.460 4.330 11.827 1.00 2.73 O ATOM 0 H GLU A 93 8.280 5.052 8.559 1.00 0.62 H new ATOM 0 HA GLU A 93 8.647 6.602 10.968 1.00 0.76 H new ATOM 0 HB2 GLU A 93 10.078 6.673 8.270 1.00 0.94 H new ATOM 0 HB3 GLU A 93 10.660 7.438 9.735 1.00 0.94 H new ATOM 0 HG2 GLU A 93 10.016 4.454 9.592 1.00 1.22 H new ATOM 0 HG3 GLU A 93 11.610 5.088 9.235 1.00 1.22 H new ATOM 606 N LYS A 94 8.138 8.389 8.228 1.00 0.80 N ATOM 607 CA LYS A 94 7.552 9.679 7.766 1.00 1.02 C ATOM 608 C LYS A 94 6.037 9.514 7.638 1.00 0.96 C ATOM 609 O LYS A 94 5.295 10.475 7.608 1.00 1.41 O ATOM 610 CB LYS A 94 8.143 10.054 6.404 1.00 1.39 C ATOM 611 CG LYS A 94 9.562 10.600 6.587 1.00 1.63 C ATOM 612 CD LYS A 94 10.455 9.525 7.223 1.00 2.18 C ATOM 613 CE LYS A 94 11.926 9.860 6.967 1.00 2.61 C ATOM 614 NZ LYS A 94 12.791 8.911 7.721 1.00 2.96 N ATOM 0 H LYS A 94 8.610 7.843 7.507 1.00 0.80 H new ATOM 0 HA LYS A 94 7.781 10.467 8.483 1.00 1.02 H new ATOM 0 HB2 LYS A 94 8.161 9.181 5.752 1.00 1.39 H new ATOM 0 HB3 LYS A 94 7.516 10.801 5.918 1.00 1.39 H new ATOM 0 HG2 LYS A 94 9.972 10.903 5.624 1.00 1.63 H new ATOM 0 HG3 LYS A 94 9.541 11.488 7.218 1.00 1.63 H new ATOM 0 HD2 LYS A 94 10.266 9.469 8.295 1.00 2.18 H new ATOM 0 HD3 LYS A 94 10.217 8.547 6.806 1.00 2.18 H new ATOM 0 HE2 LYS A 94 12.144 9.798 5.901 1.00 2.61 H new ATOM 0 HE3 LYS A 94 12.136 10.884 7.276 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 13.791 9.139 7.547 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 12.590 8.991 8.738 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 12.598 7.939 7.405 1.00 2.96 H new ATOM 628 N GLY A 95 5.575 8.296 7.566 1.00 1.12 N ATOM 629 CA GLY A 95 4.111 8.053 7.445 1.00 1.51 C ATOM 630 C GLY A 95 3.557 8.815 6.243 1.00 1.10 C ATOM 631 O GLY A 95 4.293 9.405 5.481 1.00 1.71 O ATOM 0 H GLY A 95 6.152 7.455 7.586 1.00 1.12 H new ATOM 0 HA2 GLY A 95 3.919 6.986 7.331 1.00 1.51 H new ATOM 0 HA3 GLY A 95 3.604 8.373 8.355 1.00 1.51 H new ATOM 635 N GLY A 96 2.257 8.806 6.077 1.00 1.17 N ATOM 636 CA GLY A 96 1.622 9.524 4.926 1.00 0.99 C ATOM 637 C GLY A 96 0.700 8.562 4.171 1.00 0.81 C ATOM 638 O GLY A 96 -0.312 8.962 3.633 1.00 0.83 O ATOM 0 H GLY A 96 1.602 8.328 6.695 1.00 1.17 H new ATOM 0 HA2 GLY A 96 1.054 10.381 5.287 1.00 0.99 H new ATOM 0 HA3 GLY A 96 2.390 9.910 4.256 1.00 0.99 H new ATOM 642 N LEU A 97 1.034 7.298 4.128 1.00 0.67 N ATOM 643 CA LEU A 97 0.161 6.318 3.410 1.00 0.55 C ATOM 644 C LEU A 97 -0.969 5.872 4.347 1.00 0.46 C ATOM 645 O LEU A 97 -2.100 5.714 3.938 1.00 0.49 O ATOM 646 CB LEU A 97 0.996 5.102 2.976 1.00 0.54 C ATOM 647 CG LEU A 97 0.150 4.152 2.100 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.140 4.634 0.645 1.00 0.65 C ATOM 649 CD2 LEU A 97 0.746 2.741 2.147 1.00 0.66 C ATOM 0 H LEU A 97 1.870 6.902 4.557 1.00 0.67 H new ATOM 0 HA LEU A 97 -0.267 6.786 2.523 1.00 0.55 H new ATOM 0 HB2 LEU A 97 1.873 5.435 2.421 1.00 0.54 H new ATOM 0 HB3 LEU A 97 1.359 4.570 3.855 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.870 4.142 2.485 1.00 0.54 H new ATOM 0 HD11 LEU A 97 -0.460 3.954 0.041 1.00 0.65 H new ATOM 0 HD12 LEU A 97 -0.287 5.636 0.596 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.160 4.656 0.262 1.00 0.65 H new ATOM 0 HD21 LEU A 97 0.147 2.072 1.528 1.00 0.66 H new ATOM 0 HD22 LEU A 97 1.769 2.765 1.771 1.00 0.66 H new ATOM 0 HD23 LEU A 97 0.746 2.380 3.176 1.00 0.66 H new ATOM 661 N GLU A 98 -0.675 5.662 5.600 1.00 0.44 N ATOM 662 CA GLU A 98 -1.740 5.230 6.549 1.00 0.40 C ATOM 663 C GLU A 98 -2.945 6.170 6.438 1.00 0.40 C ATOM 664 O GLU A 98 -2.810 7.367 6.276 1.00 0.58 O ATOM 665 CB GLU A 98 -1.185 5.261 7.980 1.00 0.49 C ATOM 666 CG GLU A 98 -2.323 5.140 9.002 1.00 0.48 C ATOM 667 CD GLU A 98 -1.738 4.863 10.388 1.00 1.26 C ATOM 668 OE1 GLU A 98 -0.566 5.140 10.582 1.00 2.03 O ATOM 669 OE2 GLU A 98 -2.472 4.376 11.232 1.00 1.94 O ATOM 0 H GLU A 98 0.254 5.770 6.007 1.00 0.44 H new ATOM 0 HA GLU A 98 -2.058 4.217 6.304 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -0.476 4.445 8.119 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.638 6.190 8.144 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -2.909 6.059 9.020 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -3.000 4.336 8.714 1.00 0.48 H new ATOM 676 N GLY A 99 -4.119 5.623 6.556 1.00 0.39 N ATOM 677 CA GLY A 99 -5.361 6.448 6.496 1.00 0.42 C ATOM 678 C GLY A 99 -5.407 7.311 5.226 1.00 0.42 C ATOM 679 O GLY A 99 -6.310 8.105 5.048 1.00 0.46 O ATOM 0 H GLY A 99 -4.276 4.625 6.694 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -6.234 5.795 6.525 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -5.414 7.090 7.375 1.00 0.42 H new ATOM 683 N LEU A 100 -4.457 7.176 4.343 1.00 0.41 N ATOM 684 CA LEU A 100 -4.479 8.007 3.096 1.00 0.43 C ATOM 685 C LEU A 100 -5.533 7.439 2.132 1.00 0.42 C ATOM 686 O LEU A 100 -5.316 6.430 1.488 1.00 0.44 O ATOM 687 CB LEU A 100 -3.080 7.970 2.446 1.00 0.45 C ATOM 688 CG LEU A 100 -2.786 9.256 1.643 1.00 0.55 C ATOM 689 CD1 LEU A 100 -3.844 9.469 0.546 1.00 1.15 C ATOM 690 CD2 LEU A 100 -2.733 10.484 2.582 1.00 1.17 C ATOM 0 H LEU A 100 -3.670 6.533 4.425 1.00 0.41 H new ATOM 0 HA LEU A 100 -4.736 9.040 3.332 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -2.323 7.844 3.220 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -3.009 7.105 1.786 1.00 0.45 H new ATOM 0 HG LEU A 100 -1.813 9.141 1.165 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -3.617 10.381 -0.007 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -3.836 8.619 -0.137 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -4.829 9.558 1.003 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -2.525 11.380 1.998 1.00 1.17 H new ATOM 0 HD22 LEU A 100 -3.691 10.596 3.089 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -1.945 10.342 3.322 1.00 1.17 H new ATOM 702 N ILE A 101 -6.678 8.068 2.037 1.00 0.44 N ATOM 703 CA ILE A 101 -7.741 7.552 1.127 1.00 0.45 C ATOM 704 C ILE A 101 -7.164 7.324 -0.279 1.00 0.46 C ATOM 705 O ILE A 101 -6.673 8.230 -0.923 1.00 0.49 O ATOM 706 CB ILE A 101 -8.908 8.552 1.083 1.00 0.50 C ATOM 707 CG1 ILE A 101 -9.694 8.491 2.418 1.00 0.51 C ATOM 708 CG2 ILE A 101 -9.839 8.236 -0.096 1.00 0.54 C ATOM 709 CD1 ILE A 101 -10.718 7.333 2.426 1.00 0.52 C ATOM 0 H ILE A 101 -6.920 8.915 2.550 1.00 0.44 H new ATOM 0 HA ILE A 101 -8.111 6.598 1.502 1.00 0.45 H new ATOM 0 HB ILE A 101 -8.510 9.558 0.946 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.996 8.365 3.246 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -10.212 9.436 2.579 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -10.660 8.953 -0.113 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -9.280 8.302 -1.029 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -10.239 7.228 0.016 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -11.249 7.323 3.378 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -11.432 7.473 1.614 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -10.197 6.385 2.292 1.00 0.52 H new ATOM 721 N HIS A 102 -7.226 6.103 -0.743 1.00 0.47 N ATOM 722 CA HIS A 102 -6.692 5.763 -2.093 1.00 0.51 C ATOM 723 C HIS A 102 -7.489 6.503 -3.157 1.00 0.58 C ATOM 724 O HIS A 102 -8.482 6.005 -3.650 1.00 0.64 O ATOM 725 CB HIS A 102 -6.832 4.255 -2.331 1.00 0.57 C ATOM 726 CG HIS A 102 -6.412 3.904 -3.732 1.00 0.64 C ATOM 727 ND1 HIS A 102 -7.156 4.279 -4.840 1.00 1.41 N ATOM 728 CD2 HIS A 102 -5.349 3.185 -4.220 1.00 0.64 C ATOM 729 CE1 HIS A 102 -6.539 3.785 -5.928 1.00 1.36 C ATOM 730 NE2 HIS A 102 -5.433 3.110 -5.607 1.00 0.70 N ATOM 0 H HIS A 102 -7.630 5.316 -0.235 1.00 0.47 H new ATOM 0 HA HIS A 102 -5.643 6.053 -2.148 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -6.220 3.709 -1.613 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -7.865 3.949 -2.167 1.00 0.57 H new ATOM 0 HD1 HIS A 102 -8.015 4.829 -4.832 1.00 1.41 H new ATOM 0 HD2 HIS A 102 -4.567 2.745 -3.619 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -6.895 3.918 -6.939 1.00 1.36 H new ATOM 738 N SER A 103 -7.048 7.677 -3.521 1.00 0.60 N ATOM 739 CA SER A 103 -7.750 8.453 -4.577 1.00 0.69 C ATOM 740 C SER A 103 -7.437 7.828 -5.940 1.00 0.76 C ATOM 741 O SER A 103 -8.203 7.047 -6.467 1.00 0.85 O ATOM 742 CB SER A 103 -7.273 9.906 -4.557 1.00 0.74 C ATOM 743 OG SER A 103 -5.888 9.950 -4.866 1.00 1.49 O ATOM 0 H SER A 103 -6.225 8.133 -3.127 1.00 0.60 H new ATOM 0 HA SER A 103 -8.825 8.431 -4.396 1.00 0.69 H new ATOM 0 HB2 SER A 103 -7.837 10.496 -5.279 1.00 0.74 H new ATOM 0 HB3 SER A 103 -7.453 10.346 -3.576 1.00 0.74 H new ATOM 0 HG SER A 103 -5.750 10.487 -5.674 1.00 1.49 H new ATOM 749 N GLN A 104 -6.305 8.168 -6.511 1.00 0.81 N ATOM 750 CA GLN A 104 -5.930 7.595 -7.839 1.00 0.92 C ATOM 751 C GLN A 104 -4.524 8.069 -8.242 1.00 0.93 C ATOM 752 O GLN A 104 -4.336 8.617 -9.309 1.00 1.37 O ATOM 753 CB GLN A 104 -6.936 8.063 -8.895 1.00 1.06 C ATOM 754 CG GLN A 104 -7.109 9.581 -8.797 1.00 1.76 C ATOM 755 CD GLN A 104 -8.137 10.045 -9.831 1.00 2.14 C ATOM 756 OE1 GLN A 104 -8.631 9.181 -10.675 1.00 2.64 O flip ATOM 757 NE2 GLN A 104 -8.494 11.205 -9.870 1.00 2.70 N flip ATOM 0 H GLN A 104 -5.626 8.817 -6.113 1.00 0.81 H new ATOM 0 HA GLN A 104 -5.937 6.507 -7.771 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -6.588 7.789 -9.891 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -7.895 7.566 -8.745 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -7.436 9.856 -7.794 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -6.154 10.078 -8.969 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -8.108 11.880 -9.210 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -9.180 11.504 -10.563 1.00 2.70 H new ATOM 766 N ARG A 105 -3.531 7.867 -7.411 1.00 0.83 N ATOM 767 CA ARG A 105 -2.154 8.323 -7.785 1.00 0.87 C ATOM 768 C ARG A 105 -1.120 7.762 -6.795 1.00 0.74 C ATOM 769 O ARG A 105 -0.109 7.209 -7.181 1.00 0.70 O ATOM 770 CB ARG A 105 -2.106 9.861 -7.760 1.00 1.06 C ATOM 771 CG ARG A 105 -0.960 10.373 -8.658 1.00 1.71 C ATOM 772 CD ARG A 105 -1.409 10.416 -10.137 1.00 1.99 C ATOM 773 NE ARG A 105 -0.324 9.875 -11.021 1.00 2.86 N ATOM 774 CZ ARG A 105 0.921 10.252 -10.883 1.00 3.60 C ATOM 775 NH1 ARG A 105 1.242 11.190 -10.033 1.00 3.73 N ATOM 776 NH2 ARG A 105 1.846 9.710 -11.626 1.00 4.61 N ATOM 0 H ARG A 105 -3.611 7.412 -6.501 1.00 0.83 H new ATOM 0 HA ARG A 105 -1.917 7.960 -8.785 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -3.057 10.267 -8.104 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -1.961 10.211 -6.738 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -0.654 11.368 -8.336 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -0.091 9.723 -8.554 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -2.319 9.831 -10.266 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -1.645 11.441 -10.424 1.00 1.99 H new ATOM 0 HE ARG A 105 -0.563 9.198 -11.746 1.00 2.86 H new ATOM 0 HH11 ARG A 105 0.519 11.636 -9.469 1.00 3.73 H new ATOM 0 HH12 ARG A 105 2.216 11.476 -9.933 1.00 3.73 H new ATOM 0 HH21 ARG A 105 1.597 8.996 -12.310 1.00 4.61 H new ATOM 0 HH22 ARG A 105 2.818 10.000 -11.523 1.00 4.61 H new ATOM 790 N ARG A 106 -1.369 7.914 -5.526 1.00 0.71 N ATOM 791 CA ARG A 106 -0.414 7.410 -4.490 1.00 0.65 C ATOM 792 C ARG A 106 -0.032 5.951 -4.786 1.00 0.54 C ATOM 793 O ARG A 106 1.116 5.571 -4.667 1.00 0.50 O ATOM 794 CB ARG A 106 -1.071 7.504 -3.090 1.00 0.70 C ATOM 795 CG ARG A 106 -2.183 8.565 -3.096 1.00 1.01 C ATOM 796 CD ARG A 106 -3.489 7.979 -3.679 1.00 1.24 C ATOM 797 NE ARG A 106 -3.177 6.768 -4.498 1.00 1.86 N ATOM 798 CZ ARG A 106 -4.130 6.030 -4.980 1.00 2.48 C ATOM 799 NH1 ARG A 106 -5.369 6.367 -4.792 1.00 2.86 N ATOM 800 NH2 ARG A 106 -3.837 4.971 -5.675 1.00 3.29 N ATOM 0 H ARG A 106 -2.202 8.371 -5.154 1.00 0.71 H new ATOM 0 HA ARG A 106 0.488 8.022 -4.511 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -1.484 6.535 -2.808 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -0.319 7.759 -2.344 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -2.359 8.921 -2.081 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -1.869 9.426 -3.686 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -4.174 7.718 -2.872 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -3.991 8.726 -4.294 1.00 1.24 H new ATOM 0 HE ARG A 106 -2.205 6.519 -4.680 1.00 1.86 H new ATOM 0 HH11 ARG A 106 -5.594 7.211 -4.266 1.00 2.86 H new ATOM 0 HH12 ARG A 106 -6.118 5.788 -5.171 1.00 2.86 H new ATOM 0 HH21 ARG A 106 -2.861 4.723 -5.840 1.00 3.29 H new ATOM 0 HH22 ARG A 106 -4.583 4.388 -6.056 1.00 3.29 H new ATOM 814 N GLN A 107 -0.977 5.126 -5.154 1.00 0.55 N ATOM 815 CA GLN A 107 -0.633 3.698 -5.432 1.00 0.52 C ATOM 816 C GLN A 107 0.441 3.635 -6.522 1.00 0.49 C ATOM 817 O GLN A 107 1.387 2.878 -6.431 1.00 0.44 O ATOM 818 CB GLN A 107 -1.874 2.940 -5.911 1.00 0.63 C ATOM 819 CG GLN A 107 -1.498 1.487 -6.215 1.00 1.11 C ATOM 820 CD GLN A 107 -2.768 0.642 -6.326 1.00 1.53 C ATOM 821 OE1 GLN A 107 -3.117 -0.076 -5.410 1.00 2.13 O ATOM 822 NE2 GLN A 107 -3.483 0.698 -7.418 1.00 2.12 N ATOM 0 H GLN A 107 -1.959 5.373 -5.273 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.262 3.240 -4.515 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -2.651 2.974 -5.148 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -2.282 3.416 -6.803 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -0.931 1.434 -7.145 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -0.855 1.094 -5.427 1.00 1.11 H new ATOM 0 HE21 GLN A 107 -3.192 1.300 -8.188 1.00 2.12 H new ATOM 0 HE22 GLN A 107 -4.333 0.140 -7.501 1.00 2.12 H new ATOM 831 N ASP A 108 0.302 4.424 -7.552 1.00 0.56 N ATOM 832 CA ASP A 108 1.311 4.410 -8.649 1.00 0.59 C ATOM 833 C ASP A 108 2.686 4.794 -8.096 1.00 0.54 C ATOM 834 O ASP A 108 3.620 4.018 -8.130 1.00 0.54 O ATOM 835 CB ASP A 108 0.900 5.413 -9.730 1.00 0.72 C ATOM 836 CG ASP A 108 -0.475 5.033 -10.283 1.00 0.81 C ATOM 837 OD1 ASP A 108 -0.843 3.876 -10.160 1.00 1.33 O ATOM 838 OD2 ASP A 108 -1.137 5.906 -10.821 1.00 1.42 O ATOM 0 H ASP A 108 -0.469 5.079 -7.681 1.00 0.56 H new ATOM 0 HA ASP A 108 1.363 3.409 -9.077 1.00 0.59 H new ATOM 0 HB2 ASP A 108 0.871 6.420 -9.314 1.00 0.72 H new ATOM 0 HB3 ASP A 108 1.637 5.421 -10.533 1.00 0.72 H new ATOM 843 N ILE A 109 2.818 5.992 -7.597 1.00 0.55 N ATOM 844 CA ILE A 109 4.133 6.437 -7.050 1.00 0.54 C ATOM 845 C ILE A 109 4.639 5.424 -6.021 1.00 0.47 C ATOM 846 O ILE A 109 5.811 5.110 -5.972 1.00 0.53 O ATOM 847 CB ILE A 109 3.973 7.806 -6.380 1.00 0.59 C ATOM 848 CG1 ILE A 109 3.229 8.765 -7.322 1.00 0.70 C ATOM 849 CG2 ILE A 109 5.350 8.384 -6.049 1.00 0.63 C ATOM 850 CD1 ILE A 109 3.888 8.764 -8.707 1.00 1.47 C ATOM 0 H ILE A 109 2.071 6.684 -7.544 1.00 0.55 H new ATOM 0 HA ILE A 109 4.852 6.511 -7.866 1.00 0.54 H new ATOM 0 HB ILE A 109 3.399 7.686 -5.461 1.00 0.59 H new ATOM 0 HG12 ILE A 109 2.185 8.465 -7.408 1.00 0.70 H new ATOM 0 HG13 ILE A 109 3.238 9.773 -6.908 1.00 0.70 H new ATOM 0 HG21 ILE A 109 5.231 9.357 -5.573 1.00 0.63 H new ATOM 0 HG22 ILE A 109 5.874 7.710 -5.371 1.00 0.63 H new ATOM 0 HG23 ILE A 109 5.927 8.497 -6.967 1.00 0.63 H new ATOM 0 HD11 ILE A 109 3.352 9.447 -9.366 1.00 1.47 H new ATOM 0 HD12 ILE A 109 4.925 9.086 -8.617 1.00 1.47 H new ATOM 0 HD13 ILE A 109 3.856 7.758 -9.125 1.00 1.47 H new ATOM 862 N LEU A 110 3.770 4.915 -5.195 1.00 0.43 N ATOM 863 CA LEU A 110 4.209 3.930 -4.168 1.00 0.39 C ATOM 864 C LEU A 110 4.981 2.788 -4.843 1.00 0.38 C ATOM 865 O LEU A 110 6.181 2.670 -4.701 1.00 0.38 O ATOM 866 CB LEU A 110 2.977 3.373 -3.441 1.00 0.42 C ATOM 867 CG LEU A 110 3.364 2.183 -2.554 1.00 0.44 C ATOM 868 CD1 LEU A 110 4.568 2.547 -1.679 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.177 1.818 -1.659 1.00 0.66 C ATOM 0 H LEU A 110 2.775 5.138 -5.186 1.00 0.43 H new ATOM 0 HA LEU A 110 4.863 4.420 -3.447 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.523 4.155 -2.832 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.228 3.062 -4.169 1.00 0.42 H new ATOM 0 HG LEU A 110 3.629 1.335 -3.186 1.00 0.44 H new ATOM 0 HD11 LEU A 110 4.834 1.695 -1.053 1.00 0.56 H new ATOM 0 HD12 LEU A 110 5.414 2.809 -2.315 1.00 0.56 H new ATOM 0 HD13 LEU A 110 4.314 3.397 -1.046 1.00 0.56 H new ATOM 0 HD21 LEU A 110 2.445 0.972 -1.026 1.00 0.66 H new ATOM 0 HD22 LEU A 110 1.917 2.672 -1.033 1.00 0.66 H new ATOM 0 HD23 LEU A 110 1.322 1.549 -2.280 1.00 0.66 H new ATOM 881 N ASP A 111 4.300 1.944 -5.567 1.00 0.40 N ATOM 882 CA ASP A 111 4.992 0.805 -6.241 1.00 0.42 C ATOM 883 C ASP A 111 6.183 1.317 -7.056 1.00 0.43 C ATOM 884 O ASP A 111 7.259 0.753 -7.017 1.00 0.42 O ATOM 885 CB ASP A 111 4.008 0.093 -7.173 1.00 0.50 C ATOM 886 CG ASP A 111 2.869 -0.510 -6.348 1.00 0.59 C ATOM 887 OD1 ASP A 111 3.092 -0.792 -5.182 1.00 1.30 O ATOM 888 OD2 ASP A 111 1.793 -0.682 -6.898 1.00 1.19 O ATOM 0 H ASP A 111 3.293 1.992 -5.722 1.00 0.40 H new ATOM 0 HA ASP A 111 5.353 0.110 -5.483 1.00 0.42 H new ATOM 0 HB2 ASP A 111 3.609 0.796 -7.904 1.00 0.50 H new ATOM 0 HB3 ASP A 111 4.521 -0.690 -7.731 1.00 0.50 H new ATOM 893 N LEU A 112 6.000 2.370 -7.802 1.00 0.48 N ATOM 894 CA LEU A 112 7.121 2.903 -8.628 1.00 0.52 C ATOM 895 C LEU A 112 8.251 3.381 -7.716 1.00 0.48 C ATOM 896 O LEU A 112 9.404 3.054 -7.919 1.00 0.47 O ATOM 897 CB LEU A 112 6.609 4.073 -9.480 1.00 0.60 C ATOM 898 CG LEU A 112 7.699 4.554 -10.457 1.00 0.70 C ATOM 899 CD1 LEU A 112 7.849 3.571 -11.628 1.00 1.45 C ATOM 900 CD2 LEU A 112 7.310 5.934 -11.000 1.00 1.26 C ATOM 0 H LEU A 112 5.123 2.885 -7.876 1.00 0.48 H new ATOM 0 HA LEU A 112 7.500 2.117 -9.281 1.00 0.52 H new ATOM 0 HB2 LEU A 112 5.725 3.764 -10.038 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.306 4.896 -8.832 1.00 0.60 H new ATOM 0 HG LEU A 112 8.649 4.611 -9.926 1.00 0.70 H new ATOM 0 HD11 LEU A 112 8.623 3.929 -12.306 1.00 1.45 H new ATOM 0 HD12 LEU A 112 8.127 2.589 -11.245 1.00 1.45 H new ATOM 0 HD13 LEU A 112 6.903 3.497 -12.164 1.00 1.45 H new ATOM 0 HD21 LEU A 112 8.077 6.282 -11.693 1.00 1.26 H new ATOM 0 HD22 LEU A 112 6.355 5.864 -11.521 1.00 1.26 H new ATOM 0 HD23 LEU A 112 7.221 6.639 -10.173 1.00 1.26 H new ATOM 912 N TRP A 113 7.938 4.152 -6.716 1.00 0.48 N ATOM 913 CA TRP A 113 9.004 4.648 -5.801 1.00 0.48 C ATOM 914 C TRP A 113 9.860 3.470 -5.339 1.00 0.43 C ATOM 915 O TRP A 113 11.071 3.496 -5.437 1.00 0.45 O ATOM 916 CB TRP A 113 8.358 5.328 -4.592 1.00 0.52 C ATOM 917 CG TRP A 113 9.414 5.778 -3.634 1.00 0.56 C ATOM 918 CD1 TRP A 113 10.172 6.890 -3.777 1.00 0.66 C ATOM 919 CD2 TRP A 113 9.835 5.153 -2.387 1.00 0.55 C ATOM 920 NE1 TRP A 113 11.030 6.986 -2.696 1.00 0.70 N ATOM 921 CE2 TRP A 113 10.860 5.938 -1.812 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.428 3.992 -1.709 1.00 0.51 C ATOM 923 CZ2 TRP A 113 11.460 5.583 -0.603 1.00 0.70 C ATOM 924 CZ3 TRP A 113 10.028 3.630 -0.492 1.00 0.58 C ATOM 925 CH2 TRP A 113 11.043 4.425 0.060 1.00 0.67 C ATOM 0 H TRP A 113 6.992 4.461 -6.491 1.00 0.48 H new ATOM 0 HA TRP A 113 9.634 5.368 -6.323 1.00 0.48 H new ATOM 0 HB2 TRP A 113 7.764 6.182 -4.919 1.00 0.52 H new ATOM 0 HB3 TRP A 113 7.677 4.637 -4.096 1.00 0.52 H new ATOM 0 HD1 TRP A 113 10.116 7.588 -4.600 1.00 0.66 H new ATOM 0 HE1 TRP A 113 11.706 7.739 -2.567 1.00 0.70 H new ATOM 0 HE3 TRP A 113 8.648 3.373 -2.127 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 12.241 6.199 -0.182 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 9.706 2.736 0.021 1.00 0.58 H new ATOM 0 HH2 TRP A 113 11.502 4.143 0.996 1.00 0.67 H new ATOM 936 N ILE A 114 9.246 2.432 -4.844 1.00 0.39 N ATOM 937 CA ILE A 114 10.037 1.258 -4.389 1.00 0.37 C ATOM 938 C ILE A 114 10.859 0.719 -5.566 1.00 0.39 C ATOM 939 O ILE A 114 11.908 0.133 -5.391 1.00 0.44 O ATOM 940 CB ILE A 114 9.095 0.159 -3.889 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.168 0.734 -2.816 1.00 0.37 C ATOM 942 CG2 ILE A 114 9.919 -0.984 -3.293 1.00 0.42 C ATOM 943 CD1 ILE A 114 7.155 -0.329 -2.381 1.00 1.00 C ATOM 0 H ILE A 114 8.235 2.347 -4.736 1.00 0.39 H new ATOM 0 HA ILE A 114 10.700 1.561 -3.579 1.00 0.37 H new ATOM 0 HB ILE A 114 8.499 -0.218 -4.720 1.00 0.37 H new ATOM 0 HG12 ILE A 114 8.752 1.066 -1.958 1.00 0.37 H new ATOM 0 HG13 ILE A 114 7.647 1.609 -3.204 1.00 0.37 H new ATOM 0 HG21 ILE A 114 9.250 -1.767 -2.936 1.00 0.42 H new ATOM 0 HG22 ILE A 114 10.581 -1.392 -4.057 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.514 -0.608 -2.460 1.00 0.42 H new ATOM 0 HD11 ILE A 114 6.498 0.086 -1.617 1.00 1.00 H new ATOM 0 HD12 ILE A 114 6.561 -0.639 -3.241 1.00 1.00 H new ATOM 0 HD13 ILE A 114 7.684 -1.191 -1.975 1.00 1.00 H new ATOM 955 N TYR A 115 10.368 0.896 -6.766 1.00 0.40 N ATOM 956 CA TYR A 115 11.091 0.379 -7.965 1.00 0.46 C ATOM 957 C TYR A 115 12.437 1.101 -8.161 1.00 0.51 C ATOM 958 O TYR A 115 13.488 0.497 -8.085 1.00 0.54 O ATOM 959 CB TYR A 115 10.203 0.588 -9.202 1.00 0.53 C ATOM 960 CG TYR A 115 10.599 -0.375 -10.301 1.00 0.59 C ATOM 961 CD1 TYR A 115 10.416 -1.755 -10.123 1.00 0.56 C ATOM 962 CD2 TYR A 115 11.142 0.108 -11.499 1.00 0.74 C ATOM 963 CE1 TYR A 115 10.778 -2.645 -11.141 1.00 0.65 C ATOM 964 CE2 TYR A 115 11.503 -0.784 -12.515 1.00 0.82 C ATOM 965 CZ TYR A 115 11.321 -2.159 -12.336 1.00 0.77 C ATOM 966 OH TYR A 115 11.677 -3.038 -13.337 1.00 0.87 O ATOM 0 H TYR A 115 9.492 1.379 -6.967 1.00 0.40 H new ATOM 0 HA TYR A 115 11.301 -0.681 -7.822 1.00 0.46 H new ATOM 0 HB2 TYR A 115 9.157 0.437 -8.937 1.00 0.53 H new ATOM 0 HB3 TYR A 115 10.297 1.614 -9.557 1.00 0.53 H new ATOM 0 HD1 TYR A 115 9.996 -2.130 -9.201 1.00 0.56 H new ATOM 0 HD2 TYR A 115 11.282 1.170 -11.638 1.00 0.74 H new ATOM 0 HE1 TYR A 115 10.638 -3.707 -11.004 1.00 0.65 H new ATOM 0 HE2 TYR A 115 11.922 -0.410 -13.438 1.00 0.82 H new ATOM 0 HH TYR A 115 12.037 -2.538 -14.099 1.00 0.87 H new ATOM 976 N HIS A 116 12.412 2.379 -8.443 1.00 0.58 N ATOM 977 CA HIS A 116 13.690 3.127 -8.679 1.00 0.67 C ATOM 978 C HIS A 116 14.574 3.119 -7.428 1.00 0.67 C ATOM 979 O HIS A 116 15.731 3.487 -7.486 1.00 0.81 O ATOM 980 CB HIS A 116 13.365 4.577 -9.051 1.00 0.79 C ATOM 981 CG HIS A 116 12.823 4.630 -10.454 1.00 1.20 C ATOM 982 ND1 HIS A 116 13.563 5.131 -11.514 1.00 1.99 N ATOM 983 CD2 HIS A 116 11.617 4.248 -10.986 1.00 2.05 C ATOM 984 CE1 HIS A 116 12.802 5.037 -12.620 1.00 2.71 C ATOM 985 NE2 HIS A 116 11.605 4.506 -12.355 1.00 2.74 N ATOM 0 H HIS A 116 11.563 2.939 -8.521 1.00 0.58 H new ATOM 0 HA HIS A 116 14.230 2.637 -9.489 1.00 0.67 H new ATOM 0 HB2 HIS A 116 12.635 4.987 -8.353 1.00 0.79 H new ATOM 0 HB3 HIS A 116 14.261 5.192 -8.973 1.00 0.79 H new ATOM 0 HD2 HIS A 116 10.801 3.813 -10.428 1.00 2.05 H new ATOM 0 HE1 HIS A 116 13.120 5.353 -13.603 1.00 2.71 H new ATOM 0 HE2 HIS A 116 10.846 4.328 -13.013 1.00 2.74 H new ATOM 993 N THR A 117 14.049 2.729 -6.296 1.00 0.63 N ATOM 994 CA THR A 117 14.873 2.731 -5.043 1.00 0.68 C ATOM 995 C THR A 117 15.380 1.323 -4.717 1.00 0.66 C ATOM 996 O THR A 117 16.532 1.004 -4.932 1.00 0.73 O ATOM 997 CB THR A 117 14.017 3.231 -3.881 1.00 0.80 C ATOM 998 OG1 THR A 117 12.862 2.414 -3.764 1.00 0.85 O ATOM 999 CG2 THR A 117 13.598 4.679 -4.136 1.00 0.91 C ATOM 0 H THR A 117 13.087 2.409 -6.181 1.00 0.63 H new ATOM 0 HA THR A 117 15.732 3.385 -5.195 1.00 0.68 H new ATOM 0 HB THR A 117 14.593 3.183 -2.957 1.00 0.80 H new ATOM 0 HG1 THR A 117 12.115 2.834 -4.240 1.00 0.85 H new ATOM 0 HG21 THR A 117 12.987 5.033 -3.305 1.00 0.91 H new ATOM 0 HG22 THR A 117 14.486 5.304 -4.226 1.00 0.91 H new ATOM 0 HG23 THR A 117 13.021 4.734 -5.059 1.00 0.91 H new ATOM 1007 N GLN A 118 14.539 0.491 -4.166 1.00 0.73 N ATOM 1008 CA GLN A 118 14.983 -0.882 -3.786 1.00 0.83 C ATOM 1009 C GLN A 118 14.954 -1.822 -4.995 1.00 0.72 C ATOM 1010 O GLN A 118 15.638 -2.826 -5.022 1.00 0.91 O ATOM 1011 CB GLN A 118 14.045 -1.415 -2.705 1.00 1.06 C ATOM 1012 CG GLN A 118 13.900 -0.366 -1.600 1.00 1.48 C ATOM 1013 CD GLN A 118 13.112 -0.957 -0.429 1.00 2.12 C ATOM 1014 OE1 GLN A 118 12.037 -1.660 -0.666 1.00 2.89 O flip ATOM 1015 NE2 GLN A 118 13.480 -0.780 0.715 1.00 2.13 N flip ATOM 0 H GLN A 118 13.562 0.702 -3.962 1.00 0.73 H new ATOM 0 HA GLN A 118 16.007 -0.835 -3.416 1.00 0.83 H new ATOM 0 HB2 GLN A 118 13.070 -1.645 -3.134 1.00 1.06 H new ATOM 0 HB3 GLN A 118 14.438 -2.344 -2.292 1.00 1.06 H new ATOM 0 HG2 GLN A 118 14.884 -0.041 -1.262 1.00 1.48 H new ATOM 0 HG3 GLN A 118 13.389 0.516 -1.987 1.00 1.48 H new ATOM 0 HE21 GLN A 118 14.319 -0.231 0.902 1.00 2.13 H new ATOM 0 HE22 GLN A 118 12.950 -1.180 1.489 1.00 2.13 H new ATOM 1024 N GLY A 119 14.185 -1.509 -5.997 1.00 0.86 N ATOM 1025 CA GLY A 119 14.140 -2.392 -7.196 1.00 0.85 C ATOM 1026 C GLY A 119 13.315 -3.651 -6.905 1.00 0.65 C ATOM 1027 O GLY A 119 13.346 -4.603 -7.660 1.00 0.67 O ATOM 0 H GLY A 119 13.587 -0.684 -6.040 1.00 0.86 H new ATOM 0 HA2 GLY A 119 13.705 -1.852 -8.037 1.00 0.85 H new ATOM 0 HA3 GLY A 119 15.152 -2.673 -7.487 1.00 0.85 H new ATOM 1031 N TYR A 120 12.571 -3.674 -5.831 1.00 0.54 N ATOM 1032 CA TYR A 120 11.754 -4.886 -5.535 1.00 0.44 C ATOM 1033 C TYR A 120 10.591 -4.946 -6.528 1.00 0.49 C ATOM 1034 O TYR A 120 9.853 -3.996 -6.698 1.00 0.70 O ATOM 1035 CB TYR A 120 11.194 -4.807 -4.101 1.00 0.48 C ATOM 1036 CG TYR A 120 12.173 -5.411 -3.112 1.00 0.52 C ATOM 1037 CD1 TYR A 120 12.496 -6.770 -3.191 1.00 0.58 C ATOM 1038 CD2 TYR A 120 12.745 -4.614 -2.114 1.00 0.60 C ATOM 1039 CE1 TYR A 120 13.393 -7.331 -2.272 1.00 0.71 C ATOM 1040 CE2 TYR A 120 13.642 -5.174 -1.197 1.00 0.71 C ATOM 1041 CZ TYR A 120 13.966 -6.532 -1.276 1.00 0.75 C ATOM 1042 OH TYR A 120 14.849 -7.085 -0.372 1.00 0.91 O ATOM 0 H TYR A 120 12.494 -2.916 -5.153 1.00 0.54 H new ATOM 0 HA TYR A 120 12.376 -5.777 -5.625 1.00 0.44 H new ATOM 0 HB2 TYR A 120 10.998 -3.768 -3.838 1.00 0.48 H new ATOM 0 HB3 TYR A 120 10.242 -5.335 -4.047 1.00 0.48 H new ATOM 0 HD1 TYR A 120 12.054 -7.386 -3.960 1.00 0.58 H new ATOM 0 HD2 TYR A 120 12.494 -3.565 -2.051 1.00 0.60 H new ATOM 0 HE1 TYR A 120 13.642 -8.380 -2.332 1.00 0.71 H new ATOM 0 HE2 TYR A 120 14.084 -4.557 -0.428 1.00 0.71 H new ATOM 0 HH TYR A 120 15.155 -6.393 0.251 1.00 0.91 H new ATOM 1052 N PHE A 121 10.416 -6.063 -7.171 1.00 0.48 N ATOM 1053 CA PHE A 121 9.293 -6.193 -8.141 1.00 0.57 C ATOM 1054 C PHE A 121 7.994 -6.372 -7.338 1.00 0.55 C ATOM 1055 O PHE A 121 7.973 -7.107 -6.370 1.00 0.59 O ATOM 1056 CB PHE A 121 9.529 -7.423 -9.025 1.00 0.68 C ATOM 1057 CG PHE A 121 8.600 -7.392 -10.217 1.00 1.42 C ATOM 1058 CD1 PHE A 121 7.274 -7.821 -10.085 1.00 2.33 C ATOM 1059 CD2 PHE A 121 9.068 -6.942 -11.458 1.00 2.32 C ATOM 1060 CE1 PHE A 121 6.416 -7.797 -11.192 1.00 3.43 C ATOM 1061 CE2 PHE A 121 8.211 -6.919 -12.565 1.00 3.44 C ATOM 1062 CZ PHE A 121 6.884 -7.346 -12.431 1.00 3.85 C ATOM 0 H PHE A 121 11.001 -6.893 -7.068 1.00 0.48 H new ATOM 0 HA PHE A 121 9.226 -5.309 -8.775 1.00 0.57 H new ATOM 0 HB2 PHE A 121 10.565 -7.445 -9.362 1.00 0.68 H new ATOM 0 HB3 PHE A 121 9.363 -8.333 -8.448 1.00 0.68 H new ATOM 0 HD1 PHE A 121 6.912 -8.171 -9.129 1.00 2.33 H new ATOM 0 HD2 PHE A 121 10.091 -6.612 -11.561 1.00 2.32 H new ATOM 0 HE1 PHE A 121 5.393 -8.127 -11.089 1.00 3.43 H new ATOM 0 HE2 PHE A 121 8.573 -6.572 -13.522 1.00 3.44 H new ATOM 0 HZ PHE A 121 6.222 -7.327 -13.284 1.00 3.85 H new ATOM 1072 N PRO A 122 6.920 -5.706 -7.703 1.00 0.64 N ATOM 1073 CA PRO A 122 5.632 -5.819 -6.952 1.00 0.67 C ATOM 1074 C PRO A 122 4.962 -7.192 -7.113 1.00 0.73 C ATOM 1075 O PRO A 122 3.762 -7.293 -7.278 1.00 1.19 O ATOM 1076 CB PRO A 122 4.767 -4.694 -7.547 1.00 0.80 C ATOM 1077 CG PRO A 122 5.299 -4.492 -8.929 1.00 1.05 C ATOM 1078 CD PRO A 122 6.800 -4.782 -8.850 1.00 0.87 C ATOM 0 HA PRO A 122 5.780 -5.725 -5.876 1.00 0.67 H new ATOM 0 HB2 PRO A 122 3.714 -4.973 -7.566 1.00 0.80 H new ATOM 0 HB3 PRO A 122 4.844 -3.781 -6.956 1.00 0.80 H new ATOM 0 HG2 PRO A 122 4.809 -5.160 -9.637 1.00 1.05 H new ATOM 0 HG3 PRO A 122 5.116 -3.474 -9.273 1.00 1.05 H new ATOM 0 HD2 PRO A 122 7.169 -5.236 -9.770 1.00 0.87 H new ATOM 0 HD3 PRO A 122 7.376 -3.870 -8.691 1.00 0.87 H new ATOM 1086 N ASP A 123 5.719 -8.253 -7.033 1.00 0.56 N ATOM 1087 CA ASP A 123 5.107 -9.608 -7.146 1.00 0.64 C ATOM 1088 C ASP A 123 4.565 -9.995 -5.772 1.00 0.58 C ATOM 1089 O ASP A 123 4.036 -11.072 -5.575 1.00 0.65 O ATOM 1090 CB ASP A 123 6.167 -10.625 -7.575 1.00 0.74 C ATOM 1091 CG ASP A 123 7.350 -10.568 -6.607 1.00 0.77 C ATOM 1092 OD1 ASP A 123 8.217 -9.734 -6.809 1.00 1.38 O ATOM 1093 OD2 ASP A 123 7.368 -11.359 -5.678 1.00 1.27 O ATOM 0 H ASP A 123 6.730 -8.241 -6.895 1.00 0.56 H new ATOM 0 HA ASP A 123 4.309 -9.598 -7.888 1.00 0.64 H new ATOM 0 HB2 ASP A 123 5.740 -11.628 -7.586 1.00 0.74 H new ATOM 0 HB3 ASP A 123 6.503 -10.410 -8.589 1.00 0.74 H new ATOM 1098 N TRP A 124 4.707 -9.112 -4.819 1.00 0.53 N ATOM 1099 CA TRP A 124 4.223 -9.387 -3.432 1.00 0.52 C ATOM 1100 C TRP A 124 2.958 -8.582 -3.172 1.00 0.51 C ATOM 1101 O TRP A 124 2.158 -8.902 -2.314 1.00 0.55 O ATOM 1102 CB TRP A 124 5.302 -8.941 -2.448 1.00 0.49 C ATOM 1103 CG TRP A 124 5.659 -7.520 -2.750 1.00 0.43 C ATOM 1104 CD1 TRP A 124 6.603 -7.124 -3.635 1.00 0.44 C ATOM 1105 CD2 TRP A 124 5.077 -6.301 -2.203 1.00 0.42 C ATOM 1106 NE1 TRP A 124 6.645 -5.743 -3.657 1.00 0.42 N ATOM 1107 CE2 TRP A 124 5.723 -5.190 -2.793 1.00 0.41 C ATOM 1108 CE3 TRP A 124 4.065 -6.054 -1.258 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 5.377 -3.880 -2.460 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 3.713 -4.738 -0.921 1.00 0.58 C ATOM 1111 CH2 TRP A 124 4.368 -3.654 -1.522 1.00 0.55 C ATOM 0 H TRP A 124 5.144 -8.199 -4.944 1.00 0.53 H new ATOM 0 HA TRP A 124 4.012 -10.450 -3.313 1.00 0.52 H new ATOM 0 HB2 TRP A 124 4.942 -9.032 -1.423 1.00 0.49 H new ATOM 0 HB3 TRP A 124 6.181 -9.579 -2.534 1.00 0.49 H new ATOM 0 HD1 TRP A 124 7.223 -7.781 -4.228 1.00 0.44 H new ATOM 0 HE1 TRP A 124 7.280 -5.199 -4.241 1.00 0.42 H new ATOM 0 HE3 TRP A 124 3.555 -6.883 -0.789 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 5.885 -3.048 -2.924 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 2.934 -4.559 -0.195 1.00 0.58 H new ATOM 0 HH2 TRP A 124 4.092 -2.644 -1.259 1.00 0.55 H new ATOM 1122 N GLN A 125 2.789 -7.537 -3.908 1.00 0.53 N ATOM 1123 CA GLN A 125 1.590 -6.672 -3.730 1.00 0.60 C ATOM 1124 C GLN A 125 0.367 -7.350 -4.348 1.00 0.66 C ATOM 1125 O GLN A 125 0.125 -7.259 -5.535 1.00 0.84 O ATOM 1126 CB GLN A 125 1.835 -5.322 -4.410 1.00 0.69 C ATOM 1127 CG GLN A 125 0.731 -4.339 -4.016 1.00 1.56 C ATOM 1128 CD GLN A 125 1.073 -2.950 -4.558 1.00 2.18 C ATOM 1129 OE1 GLN A 125 1.344 -2.793 -5.732 1.00 2.78 O ATOM 1130 NE2 GLN A 125 1.074 -1.927 -3.747 1.00 2.82 N ATOM 0 H GLN A 125 3.434 -7.233 -4.638 1.00 0.53 H new ATOM 0 HA GLN A 125 1.409 -6.515 -2.667 1.00 0.60 H new ATOM 0 HB2 GLN A 125 2.808 -4.928 -4.117 1.00 0.69 H new ATOM 0 HB3 GLN A 125 1.854 -5.447 -5.493 1.00 0.69 H new ATOM 0 HG2 GLN A 125 -0.227 -4.672 -4.415 1.00 1.56 H new ATOM 0 HG3 GLN A 125 0.630 -4.304 -2.931 1.00 1.56 H new ATOM 0 HE21 GLN A 125 0.847 -2.057 -2.761 1.00 2.82 H new ATOM 0 HE22 GLN A 125 1.302 -0.997 -4.099 1.00 2.82 H new ATOM 1139 N ASN A 126 -0.410 -8.031 -3.548 1.00 0.64 N ATOM 1140 CA ASN A 126 -1.626 -8.720 -4.075 1.00 0.72 C ATOM 1141 C ASN A 126 -2.729 -8.671 -3.013 1.00 0.69 C ATOM 1142 O ASN A 126 -2.524 -8.176 -1.922 1.00 1.22 O ATOM 1143 CB ASN A 126 -1.283 -10.177 -4.396 1.00 0.84 C ATOM 1144 CG ASN A 126 -0.175 -10.220 -5.452 1.00 0.89 C ATOM 1145 OD1 ASN A 126 1.073 -10.241 -5.070 1.00 1.53 O flip ATOM 1146 ND2 ASN A 126 -0.449 -10.235 -6.635 1.00 0.88 N flip ATOM 0 H ASN A 126 -0.254 -8.141 -2.546 1.00 0.64 H new ATOM 0 HA ASN A 126 -1.971 -8.223 -4.982 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -0.959 -10.693 -3.492 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -2.168 -10.698 -4.761 1.00 0.84 H new ATOM 0 HD21 ASN A 126 -1.424 -10.219 -6.933 1.00 0.88 H new ATOM 0 HD22 ASN A 126 0.296 -10.264 -7.331 1.00 0.88 H new ATOM 1153 N TYR A 127 -3.898 -9.176 -3.318 1.00 0.69 N ATOM 1154 CA TYR A 127 -5.015 -9.146 -2.321 1.00 0.61 C ATOM 1155 C TYR A 127 -6.092 -10.161 -2.723 1.00 0.63 C ATOM 1156 O TYR A 127 -6.008 -10.799 -3.754 1.00 0.75 O ATOM 1157 CB TYR A 127 -5.662 -7.747 -2.284 1.00 0.65 C ATOM 1158 CG TYR A 127 -4.605 -6.669 -2.305 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -4.114 -6.198 -3.529 1.00 0.93 C ATOM 1160 CD2 TYR A 127 -4.117 -6.141 -1.105 1.00 0.98 C ATOM 1161 CE1 TYR A 127 -3.133 -5.198 -3.552 1.00 1.14 C ATOM 1162 CE2 TYR A 127 -3.137 -5.141 -1.127 1.00 1.19 C ATOM 1163 CZ TYR A 127 -2.644 -4.670 -2.350 1.00 1.23 C ATOM 1164 OH TYR A 127 -1.676 -3.687 -2.372 1.00 1.48 O ATOM 0 H TYR A 127 -4.128 -9.608 -4.213 1.00 0.69 H new ATOM 0 HA TYR A 127 -4.607 -9.391 -1.340 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -6.328 -7.626 -3.138 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -6.273 -7.647 -1.387 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -4.492 -6.606 -4.455 1.00 0.93 H new ATOM 0 HD2 TYR A 127 -4.496 -6.505 -0.161 1.00 0.98 H new ATOM 0 HE1 TYR A 127 -2.754 -4.834 -4.496 1.00 1.14 H new ATOM 0 HE2 TYR A 127 -2.761 -4.733 -0.200 1.00 1.19 H new ATOM 0 HH TYR A 127 -1.449 -3.431 -1.454 1.00 1.48 H new ATOM 1174 N THR A 128 -7.106 -10.303 -1.913 1.00 0.62 N ATOM 1175 CA THR A 128 -8.202 -11.268 -2.235 1.00 0.68 C ATOM 1176 C THR A 128 -8.857 -10.835 -3.564 1.00 0.75 C ATOM 1177 O THR A 128 -8.372 -9.930 -4.212 1.00 0.97 O ATOM 1178 CB THR A 128 -9.226 -11.271 -1.080 1.00 0.86 C ATOM 1179 OG1 THR A 128 -10.314 -10.423 -1.403 1.00 1.22 O ATOM 1180 CG2 THR A 128 -8.567 -10.766 0.204 1.00 0.90 C ATOM 0 H THR A 128 -7.225 -9.791 -1.039 1.00 0.62 H new ATOM 0 HA THR A 128 -7.813 -12.280 -2.347 1.00 0.68 H new ATOM 0 HB THR A 128 -9.583 -12.290 -0.931 1.00 0.86 H new ATOM 0 HG1 THR A 128 -10.963 -10.429 -0.668 1.00 1.22 H new ATOM 0 HG21 THR A 128 -9.297 -10.771 1.014 1.00 0.90 H new ATOM 0 HG22 THR A 128 -7.731 -11.416 0.464 1.00 0.90 H new ATOM 0 HG23 THR A 128 -8.203 -9.750 0.051 1.00 0.90 H new ATOM 1249 N ARG A 134 -10.027 -5.333 1.514 1.00 0.51 N ATOM 1250 CA ARG A 134 -8.945 -5.922 0.673 1.00 0.49 C ATOM 1251 C ARG A 134 -7.753 -6.304 1.562 1.00 0.40 C ATOM 1252 O ARG A 134 -6.897 -5.492 1.862 1.00 0.38 O ATOM 1253 CB ARG A 134 -8.522 -4.884 -0.401 1.00 0.58 C ATOM 1254 CG ARG A 134 -8.788 -5.429 -1.813 1.00 1.06 C ATOM 1255 CD ARG A 134 -8.550 -4.323 -2.844 1.00 1.37 C ATOM 1256 NE ARG A 134 -7.089 -4.050 -2.951 1.00 1.86 N ATOM 1257 CZ ARG A 134 -6.625 -3.369 -3.963 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -7.438 -2.938 -4.888 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -5.347 -3.122 -4.049 1.00 3.36 N ATOM 0 HA ARG A 134 -9.303 -6.823 0.174 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -9.073 -3.955 -0.254 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -7.464 -4.648 -0.290 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -8.133 -6.276 -2.016 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -9.813 -5.794 -1.886 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -8.947 -4.624 -3.814 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -9.080 -3.417 -2.550 1.00 1.37 H new ATOM 0 HE ARG A 134 -6.452 -4.395 -2.233 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -8.437 -3.133 -4.820 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -7.075 -2.406 -5.679 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -4.712 -3.461 -3.326 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -4.982 -2.590 -4.839 1.00 3.36 H new ATOM 1273 N TYR A 135 -7.697 -7.547 1.970 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.571 -8.015 2.827 1.00 0.39 C ATOM 1275 C TYR A 135 -5.392 -8.414 1.925 1.00 0.36 C ATOM 1276 O TYR A 135 -5.595 -8.861 0.810 1.00 0.39 O ATOM 1277 CB TYR A 135 -7.017 -9.245 3.627 1.00 0.46 C ATOM 1278 CG TYR A 135 -8.253 -8.923 4.431 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -9.507 -8.908 3.809 1.00 0.72 C ATOM 1280 CD2 TYR A 135 -8.149 -8.651 5.801 1.00 0.66 C ATOM 1281 CE1 TYR A 135 -10.655 -8.621 4.556 1.00 0.91 C ATOM 1282 CE2 TYR A 135 -9.296 -8.364 6.547 1.00 0.85 C ATOM 1283 CZ TYR A 135 -10.550 -8.350 5.925 1.00 0.92 C ATOM 1284 OH TYR A 135 -11.682 -8.069 6.663 1.00 1.17 O ATOM 0 H TYR A 135 -8.389 -8.261 1.743 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.273 -7.218 3.509 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -7.221 -10.074 2.950 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -6.215 -9.566 4.292 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -9.588 -9.118 2.753 1.00 0.72 H new ATOM 0 HD2 TYR A 135 -7.182 -8.663 6.282 1.00 0.66 H new ATOM 0 HE1 TYR A 135 -11.622 -8.609 4.076 1.00 0.91 H new ATOM 0 HE2 TYR A 135 -9.215 -8.153 7.603 1.00 0.85 H new ATOM 0 HH TYR A 135 -11.432 -7.906 7.596 1.00 1.17 H new ATOM 1294 N PRO A 136 -4.172 -8.273 2.393 1.00 0.37 N ATOM 1295 CA PRO A 136 -2.967 -8.648 1.596 1.00 0.38 C ATOM 1296 C PRO A 136 -2.762 -10.169 1.562 1.00 0.37 C ATOM 1297 O PRO A 136 -2.690 -10.816 2.588 1.00 0.38 O ATOM 1298 CB PRO A 136 -1.821 -7.960 2.345 1.00 0.42 C ATOM 1299 CG PRO A 136 -2.274 -7.929 3.768 1.00 0.51 C ATOM 1300 CD PRO A 136 -3.794 -7.742 3.720 1.00 0.44 C ATOM 0 HA PRO A 136 -3.044 -8.345 0.552 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -0.887 -8.512 2.237 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -1.643 -6.955 1.963 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -2.010 -8.853 4.282 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -1.797 -7.114 4.312 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.290 -8.285 4.524 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -4.072 -6.693 3.825 1.00 0.44 H new ATOM 1308 N LEU A 137 -2.668 -10.742 0.394 1.00 0.40 N ATOM 1309 CA LEU A 137 -2.468 -12.217 0.304 1.00 0.43 C ATOM 1310 C LEU A 137 -1.140 -12.586 0.975 1.00 0.41 C ATOM 1311 O LEU A 137 -1.090 -13.419 1.858 1.00 0.38 O ATOM 1312 CB LEU A 137 -2.437 -12.638 -1.180 1.00 0.51 C ATOM 1313 CG LEU A 137 -3.872 -12.875 -1.700 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -3.916 -12.670 -3.217 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -4.314 -14.310 -1.382 1.00 0.92 C ATOM 0 H LEU A 137 -2.721 -10.255 -0.500 1.00 0.40 H new ATOM 0 HA LEU A 137 -3.285 -12.734 0.808 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -1.951 -11.865 -1.774 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -1.846 -13.547 -1.295 1.00 0.51 H new ATOM 0 HG LEU A 137 -4.541 -12.167 -1.212 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -4.931 -12.839 -3.578 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -3.611 -11.651 -3.455 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -3.238 -13.374 -3.699 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -5.327 -14.469 -1.752 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -3.637 -15.015 -1.864 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -4.293 -14.467 -0.304 1.00 0.92 H new ATOM 1327 N THR A 138 -0.065 -11.975 0.558 1.00 0.50 N ATOM 1328 CA THR A 138 1.257 -12.294 1.166 1.00 0.55 C ATOM 1329 C THR A 138 1.277 -11.842 2.627 1.00 0.47 C ATOM 1330 O THR A 138 0.539 -10.966 3.033 1.00 0.50 O ATOM 1331 CB THR A 138 2.371 -11.578 0.385 1.00 0.73 C ATOM 1332 OG1 THR A 138 1.915 -10.293 -0.015 1.00 0.98 O ATOM 1333 CG2 THR A 138 2.741 -12.398 -0.853 1.00 1.04 C ATOM 0 H THR A 138 -0.045 -11.269 -0.178 1.00 0.50 H new ATOM 0 HA THR A 138 1.422 -13.371 1.123 1.00 0.55 H new ATOM 0 HB THR A 138 3.249 -11.472 1.022 1.00 0.73 H new ATOM 0 HG1 THR A 138 2.183 -10.125 -0.942 1.00 0.98 H new ATOM 0 HG21 THR A 138 3.531 -11.888 -1.405 1.00 1.04 H new ATOM 0 HG22 THR A 138 3.091 -13.383 -0.545 1.00 1.04 H new ATOM 0 HG23 THR A 138 1.865 -12.508 -1.492 1.00 1.04 H new ATOM 1341 N PHE A 139 2.127 -12.440 3.418 1.00 0.51 N ATOM 1342 CA PHE A 139 2.220 -12.063 4.860 1.00 0.49 C ATOM 1343 C PHE A 139 3.396 -11.106 5.062 1.00 0.65 C ATOM 1344 O PHE A 139 4.269 -10.991 4.225 1.00 1.43 O ATOM 1345 CB PHE A 139 2.444 -13.324 5.698 1.00 0.52 C ATOM 1346 CG PHE A 139 2.352 -12.981 7.169 1.00 0.50 C ATOM 1347 CD1 PHE A 139 1.123 -12.598 7.723 1.00 0.67 C ATOM 1348 CD2 PHE A 139 3.493 -13.048 7.981 1.00 0.59 C ATOM 1349 CE1 PHE A 139 1.035 -12.284 9.084 1.00 0.77 C ATOM 1350 CE2 PHE A 139 3.403 -12.734 9.343 1.00 0.62 C ATOM 1351 CZ PHE A 139 2.175 -12.351 9.893 1.00 0.66 C ATOM 0 H PHE A 139 2.766 -13.179 3.125 1.00 0.51 H new ATOM 0 HA PHE A 139 1.296 -11.575 5.170 1.00 0.49 H new ATOM 0 HB2 PHE A 139 1.700 -14.079 5.443 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.421 -13.752 5.475 1.00 0.52 H new ATOM 0 HD1 PHE A 139 0.243 -12.545 7.099 1.00 0.67 H new ATOM 0 HD2 PHE A 139 4.441 -13.342 7.556 1.00 0.59 H new ATOM 0 HE1 PHE A 139 0.087 -11.990 9.510 1.00 0.77 H new ATOM 0 HE2 PHE A 139 4.282 -12.788 9.969 1.00 0.62 H new ATOM 0 HZ PHE A 139 2.107 -12.107 10.943 1.00 0.66 H new ATOM 1361 N GLY A 140 3.425 -10.413 6.170 1.00 0.46 N ATOM 1362 CA GLY A 140 4.542 -9.458 6.440 1.00 0.43 C ATOM 1363 C GLY A 140 4.097 -8.045 6.072 1.00 0.35 C ATOM 1364 O GLY A 140 4.371 -7.091 6.774 1.00 0.32 O ATOM 0 H GLY A 140 2.719 -10.467 6.904 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.826 -9.500 7.492 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.422 -9.737 5.861 1.00 0.43 H new ATOM 1368 N TRP A 141 3.405 -7.904 4.979 1.00 0.34 N ATOM 1369 CA TRP A 141 2.931 -6.553 4.564 1.00 0.29 C ATOM 1370 C TRP A 141 1.732 -6.176 5.428 1.00 0.32 C ATOM 1371 O TRP A 141 0.616 -6.593 5.188 1.00 0.40 O ATOM 1372 CB TRP A 141 2.559 -6.590 3.079 1.00 0.33 C ATOM 1373 CG TRP A 141 2.320 -5.210 2.535 1.00 0.31 C ATOM 1374 CD1 TRP A 141 1.212 -4.855 1.843 1.00 0.35 C ATOM 1375 CD2 TRP A 141 3.167 -4.010 2.589 1.00 0.28 C ATOM 1376 NE1 TRP A 141 1.314 -3.530 1.472 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.495 -2.964 1.905 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.432 -3.717 3.152 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 3.045 -1.690 1.784 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 4.985 -2.430 3.028 1.00 0.31 C ATOM 1381 CH2 TRP A 141 4.293 -1.421 2.345 1.00 0.33 C ATOM 0 H TRP A 141 3.146 -8.666 4.353 1.00 0.34 H new ATOM 0 HA TRP A 141 3.711 -5.804 4.701 1.00 0.29 H new ATOM 0 HB2 TRP A 141 3.358 -7.071 2.515 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.663 -7.196 2.943 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.380 -5.506 1.617 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.601 -3.029 0.941 1.00 0.33 H new ATOM 0 HE3 TRP A 141 4.976 -4.486 3.680 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.508 -0.915 1.258 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.951 -2.218 3.463 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.726 -0.436 2.253 1.00 0.33 H new ATOM 1392 N CYS A 142 1.973 -5.421 6.465 1.00 0.31 N ATOM 1393 CA CYS A 142 0.878 -5.044 7.395 1.00 0.40 C ATOM 1394 C CYS A 142 0.063 -3.857 6.876 1.00 0.39 C ATOM 1395 O CYS A 142 -0.382 -3.032 7.649 1.00 0.48 O ATOM 1396 CB CYS A 142 1.496 -4.676 8.727 1.00 0.47 C ATOM 1397 SG CYS A 142 2.225 -6.149 9.485 1.00 1.45 S ATOM 0 H CYS A 142 2.891 -5.047 6.707 1.00 0.31 H new ATOM 0 HA CYS A 142 0.199 -5.891 7.490 1.00 0.40 H new ATOM 0 HB2 CYS A 142 2.260 -3.911 8.586 1.00 0.47 H new ATOM 0 HB3 CYS A 142 0.738 -4.252 9.386 1.00 0.47 H new ATOM 0 HG CYS A 142 3.071 -6.689 8.658 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.155 -3.770 5.594 1.00 0.38 N ATOM 1404 CA TYR A 143 -0.966 -2.640 5.032 1.00 0.40 C ATOM 1405 C TYR A 143 -2.185 -3.234 4.323 1.00 0.43 C ATOM 1406 O TYR A 143 -2.054 -4.008 3.396 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.108 -1.845 4.035 1.00 0.55 C ATOM 1408 CG TYR A 143 0.675 -0.775 4.766 1.00 1.43 C ATOM 1409 CD1 TYR A 143 0.094 0.477 4.995 1.00 2.16 C ATOM 1410 CD2 TYR A 143 1.977 -1.033 5.213 1.00 2.17 C ATOM 1411 CE1 TYR A 143 0.812 1.472 5.669 1.00 3.14 C ATOM 1412 CE2 TYR A 143 2.695 -0.038 5.887 1.00 3.14 C ATOM 1413 CZ TYR A 143 2.111 1.214 6.115 1.00 3.52 C ATOM 1414 OH TYR A 143 2.820 2.194 6.779 1.00 4.57 O ATOM 0 H TYR A 143 0.193 -4.434 4.903 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.291 -1.968 5.826 1.00 0.40 H new ATOM 0 HB2 TYR A 143 0.575 -2.516 3.514 1.00 0.55 H new ATOM 0 HB3 TYR A 143 -0.745 -1.388 3.278 1.00 0.55 H new ATOM 0 HD1 TYR A 143 -0.910 0.676 4.651 1.00 2.16 H new ATOM 0 HD2 TYR A 143 2.427 -1.999 5.038 1.00 2.17 H new ATOM 0 HE1 TYR A 143 0.362 2.438 5.844 1.00 3.14 H new ATOM 0 HE2 TYR A 143 3.699 -0.236 6.231 1.00 3.14 H new ATOM 0 HH TYR A 143 3.705 1.850 7.021 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.370 -2.890 4.768 1.00 0.39 N ATOM 1425 CA LYS A 144 -4.613 -3.444 4.141 1.00 0.51 C ATOM 1426 C LYS A 144 -5.577 -2.306 3.793 1.00 0.43 C ATOM 1427 O LYS A 144 -5.803 -1.407 4.578 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.284 -4.397 5.131 1.00 0.70 C ATOM 1429 CG LYS A 144 -5.768 -3.617 6.355 1.00 1.21 C ATOM 1430 CD LYS A 144 -6.137 -4.597 7.470 1.00 1.24 C ATOM 1431 CE LYS A 144 -7.184 -5.590 6.958 1.00 1.57 C ATOM 1432 NZ LYS A 144 -8.179 -4.875 6.108 1.00 2.32 N ATOM 0 H LYS A 144 -3.531 -2.246 5.543 1.00 0.39 H new ATOM 0 HA LYS A 144 -4.353 -3.978 3.227 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -6.125 -4.900 4.653 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -4.581 -5.172 5.437 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -4.989 -2.936 6.698 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -6.632 -3.006 6.092 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -5.249 -5.131 7.806 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -6.527 -4.054 8.331 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -6.700 -6.380 6.383 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -7.686 -6.070 7.798 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -9.043 -5.449 6.027 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -8.411 -3.959 6.542 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -7.778 -4.718 5.161 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.149 -2.345 2.619 1.00 0.40 N ATOM 1447 CA LEU A 145 -7.101 -1.272 2.213 1.00 0.37 C ATOM 1448 C LEU A 145 -8.456 -1.510 2.887 1.00 0.38 C ATOM 1449 O LEU A 145 -8.832 -2.634 3.165 1.00 0.41 O ATOM 1450 CB LEU A 145 -7.258 -1.285 0.688 1.00 0.42 C ATOM 1451 CG LEU A 145 -5.907 -0.956 0.019 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -5.904 -1.470 -1.422 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -5.673 0.562 0.001 1.00 0.52 C ATOM 0 H LEU A 145 -5.997 -3.075 1.923 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.718 -0.300 2.524 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -7.609 -2.263 0.358 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -8.011 -0.557 0.385 1.00 0.42 H new ATOM 0 HG LEU A 145 -5.114 -1.439 0.591 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -4.948 -1.235 -1.890 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -6.053 -2.550 -1.423 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -6.709 -0.992 -1.981 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -4.716 0.777 -0.474 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -6.473 1.047 -0.559 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -5.664 0.941 1.023 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.191 -0.456 3.152 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.519 -0.609 3.822 1.00 0.50 C ATOM 1467 C VAL A 146 -11.397 0.621 3.507 1.00 0.59 C ATOM 1468 O VAL A 146 -11.050 1.726 3.874 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.319 -0.651 5.346 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -11.682 -0.739 6.033 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -9.476 -1.865 5.745 1.00 0.56 C ATOM 0 H VAL A 146 -8.927 0.504 2.932 1.00 0.43 H new ATOM 0 HA VAL A 146 -10.991 -1.525 3.466 1.00 0.50 H new ATOM 0 HB VAL A 146 -9.800 0.256 5.656 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -11.543 -0.769 7.114 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.280 0.133 5.768 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.196 -1.644 5.708 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -9.345 -1.877 6.827 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -9.981 -2.778 5.430 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -8.500 -1.805 5.262 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.532 0.453 2.854 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.433 1.601 2.538 1.00 0.81 C ATOM 1483 C PRO A 147 -13.649 2.515 3.752 1.00 0.91 C ATOM 1484 O PRO A 147 -13.155 2.258 4.831 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.751 0.928 2.130 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.350 -0.406 1.584 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.077 -0.819 2.337 1.00 0.75 C ATOM 0 HA PRO A 147 -13.017 2.244 1.763 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.420 0.820 2.984 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -15.281 1.518 1.382 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.143 -1.140 1.730 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -14.165 -0.347 0.512 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.301 -1.514 3.146 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -12.367 -1.317 1.676 1.00 0.75 H new ATOM 1780 N LEU A 181 -10.290 3.879 -1.340 1.00 0.58 N ATOM 1781 CA LEU A 181 -10.007 3.026 -0.128 1.00 0.52 C ATOM 1782 C LEU A 181 -8.796 3.561 0.646 1.00 0.47 C ATOM 1783 O LEU A 181 -7.821 3.980 0.075 1.00 0.51 O ATOM 1784 CB LEU A 181 -9.718 1.592 -0.578 1.00 0.60 C ATOM 1785 CG LEU A 181 -10.752 1.146 -1.617 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -10.424 -0.275 -2.081 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -12.150 1.165 -0.993 1.00 0.87 C ATOM 0 HA LEU A 181 -10.879 3.051 0.525 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -8.716 1.531 -1.002 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -9.742 0.921 0.281 1.00 0.60 H new ATOM 0 HG LEU A 181 -10.726 1.826 -2.468 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -11.158 -0.595 -2.820 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -9.429 -0.292 -2.527 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -10.450 -0.952 -1.227 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -12.884 0.847 -1.734 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -12.177 0.486 -0.141 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -12.386 2.175 -0.659 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.847 3.547 1.953 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.692 4.065 2.755 1.00 0.45 C ATOM 1801 C GLU A 182 -6.760 2.934 3.192 1.00 0.42 C ATOM 1802 O GLU A 182 -7.183 1.858 3.564 1.00 0.43 O ATOM 1803 CB GLU A 182 -8.229 4.782 3.998 1.00 0.49 C ATOM 1804 CG GLU A 182 -9.292 3.910 4.676 1.00 0.56 C ATOM 1805 CD GLU A 182 -9.527 4.405 6.106 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -8.881 5.363 6.495 1.00 1.49 O ATOM 1807 OE2 GLU A 182 -10.350 3.814 6.788 1.00 1.62 O ATOM 0 H GLU A 182 -9.635 3.201 2.501 1.00 0.45 H new ATOM 0 HA GLU A 182 -7.122 4.752 2.130 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -7.414 4.986 4.693 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -8.658 5.744 3.718 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -10.223 3.947 4.110 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -8.969 2.869 4.689 1.00 0.56 H new ATOM 1814 N TRP A 183 -5.481 3.206 3.170 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.473 2.201 3.603 1.00 0.38 C ATOM 1816 C TRP A 183 -4.515 2.130 5.132 1.00 0.37 C ATOM 1817 O TRP A 183 -4.131 3.064 5.809 1.00 0.43 O ATOM 1818 CB TRP A 183 -3.076 2.674 3.162 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.739 2.187 1.784 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -2.324 0.936 1.477 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.752 2.935 0.535 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -2.080 0.868 0.116 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -2.335 2.076 -0.511 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -3.086 4.262 0.212 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -2.249 2.523 -1.833 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -3.002 4.715 -1.114 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -2.584 3.847 -2.135 1.00 0.41 C ATOM 0 H TRP A 183 -5.089 4.097 2.865 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.684 1.226 3.164 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -3.036 3.763 3.184 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -2.329 2.313 3.869 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -2.203 0.124 2.179 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -1.753 0.031 -0.366 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -3.410 4.938 0.990 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -1.926 1.851 -2.615 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -3.260 5.737 -1.350 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -2.521 4.201 -3.153 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.976 1.045 5.688 1.00 0.35 N ATOM 1839 CA ARG A 184 -5.038 0.945 7.177 1.00 0.35 C ATOM 1840 C ARG A 184 -3.763 0.283 7.699 1.00 0.31 C ATOM 1841 O ARG A 184 -3.606 -0.921 7.646 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.254 0.107 7.579 1.00 0.40 C ATOM 1843 CG ARG A 184 -6.396 0.101 9.106 1.00 0.98 C ATOM 1844 CD ARG A 184 -7.802 -0.365 9.488 1.00 1.51 C ATOM 1845 NE ARG A 184 -8.807 0.558 8.890 1.00 1.57 N ATOM 1846 CZ ARG A 184 -10.063 0.210 8.838 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -10.443 -0.940 9.323 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -10.939 1.015 8.303 1.00 2.61 N ATOM 0 H ARG A 184 -5.311 0.226 5.181 1.00 0.35 H new ATOM 0 HA ARG A 184 -5.127 1.943 7.606 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -7.156 0.515 7.122 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -6.143 -0.913 7.210 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -5.650 -0.560 9.548 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -6.213 1.100 9.502 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -7.969 -1.382 9.133 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -7.909 -0.384 10.573 1.00 1.51 H new ATOM 0 HE ARG A 184 -8.513 1.462 8.521 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -9.758 -1.568 9.743 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -11.425 -1.211 9.282 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -10.641 1.915 7.926 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -11.922 0.745 8.261 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.853 1.067 8.207 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.584 0.494 8.740 1.00 0.31 C ATOM 1864 C PHE A 185 -1.901 -0.357 9.977 1.00 0.31 C ATOM 1865 O PHE A 185 -2.679 0.028 10.827 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.629 1.652 9.105 1.00 0.40 C ATOM 1867 CG PHE A 185 0.395 1.220 10.140 1.00 0.44 C ATOM 1868 CD1 PHE A 185 0.027 1.119 11.488 1.00 0.65 C ATOM 1869 CD2 PHE A 185 1.709 0.924 9.751 1.00 0.62 C ATOM 1870 CE1 PHE A 185 0.968 0.721 12.445 1.00 0.75 C ATOM 1871 CE2 PHE A 185 2.650 0.527 10.710 1.00 0.74 C ATOM 1872 CZ PHE A 185 2.280 0.426 12.057 1.00 0.71 C ATOM 0 H PHE A 185 -2.933 2.081 8.276 1.00 0.31 H new ATOM 0 HA PHE A 185 -1.104 -0.138 7.993 1.00 0.31 H new ATOM 0 HB2 PHE A 185 -0.117 2.000 8.208 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -1.205 2.493 9.490 1.00 0.40 H new ATOM 0 HD1 PHE A 185 -0.984 1.349 11.789 1.00 0.65 H new ATOM 0 HD2 PHE A 185 1.996 1.002 8.713 1.00 0.62 H new ATOM 0 HE1 PHE A 185 0.681 0.642 13.483 1.00 0.75 H new ATOM 0 HE2 PHE A 185 3.662 0.299 10.410 1.00 0.74 H new ATOM 0 HZ PHE A 185 3.006 0.121 12.796 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.306 -1.516 10.076 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.567 -2.398 11.243 1.00 0.32 C ATOM 1884 C ASP A 186 -0.361 -3.316 11.454 1.00 0.30 C ATOM 1885 O ASP A 186 -0.465 -4.522 11.344 1.00 0.32 O ATOM 1886 CB ASP A 186 -2.802 -3.235 10.936 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.355 -3.848 12.225 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -2.871 -3.491 13.286 1.00 1.16 O ATOM 1889 OD2 ASP A 186 -4.253 -4.668 12.129 1.00 1.23 O ATOM 0 H ASP A 186 -0.647 -1.889 9.393 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.729 -1.808 12.145 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.563 -2.614 10.463 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.549 -4.024 10.228 1.00 0.37 H new ATOM 1894 N SER A 187 0.786 -2.749 11.734 1.00 0.33 N ATOM 1895 CA SER A 187 2.021 -3.571 11.936 1.00 0.34 C ATOM 1896 C SER A 187 1.717 -4.791 12.815 1.00 0.35 C ATOM 1897 O SER A 187 2.517 -5.699 12.924 1.00 0.37 O ATOM 1898 CB SER A 187 3.090 -2.715 12.615 1.00 0.40 C ATOM 1899 OG SER A 187 2.516 -2.041 13.727 1.00 1.32 O ATOM 0 H SER A 187 0.922 -1.743 11.832 1.00 0.33 H new ATOM 0 HA SER A 187 2.377 -3.916 10.965 1.00 0.34 H new ATOM 0 HB2 SER A 187 3.919 -3.341 12.943 1.00 0.40 H new ATOM 0 HB3 SER A 187 3.497 -1.992 11.908 1.00 0.40 H new ATOM 0 HG SER A 187 2.056 -1.233 13.418 1.00 1.32 H new ATOM 1905 N ARG A 188 0.574 -4.825 13.444 1.00 0.40 N ATOM 1906 CA ARG A 188 0.239 -5.990 14.310 1.00 0.46 C ATOM 1907 C ARG A 188 0.160 -7.255 13.451 1.00 0.42 C ATOM 1908 O ARG A 188 0.453 -8.342 13.903 1.00 0.43 O ATOM 1909 CB ARG A 188 -1.117 -5.758 14.981 1.00 0.58 C ATOM 1910 CG ARG A 188 -1.021 -4.576 15.946 1.00 1.40 C ATOM 1911 CD ARG A 188 -2.394 -4.334 16.580 1.00 1.75 C ATOM 1912 NE ARG A 188 -2.306 -3.214 17.559 1.00 2.37 N ATOM 1913 CZ ARG A 188 -3.398 -2.641 17.991 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -4.561 -3.045 17.556 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -3.327 -1.664 18.854 1.00 3.87 N ATOM 0 H ARG A 188 -0.140 -4.098 13.396 1.00 0.40 H new ATOM 0 HA ARG A 188 1.010 -6.106 15.072 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -1.878 -5.562 14.226 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -1.425 -6.655 15.519 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -0.281 -4.781 16.719 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -0.689 -3.683 15.416 1.00 1.40 H new ATOM 0 HD2 ARG A 188 -3.125 -4.097 15.807 1.00 1.75 H new ATOM 0 HD3 ARG A 188 -2.739 -5.239 17.079 1.00 1.75 H new ATOM 0 HE ARG A 188 -1.396 -2.895 17.891 1.00 2.37 H new ATOM 0 HH11 ARG A 188 -4.616 -3.807 16.880 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -5.414 -2.599 17.892 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -2.418 -1.347 19.192 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -4.180 -1.218 19.190 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.221 -7.124 12.212 1.00 0.43 N ATOM 1930 CA LEU A 189 -0.305 -8.316 11.322 1.00 0.46 C ATOM 1931 C LEU A 189 1.101 -8.896 11.151 1.00 0.41 C ATOM 1932 O LEU A 189 1.315 -9.826 10.398 1.00 0.46 O ATOM 1933 CB LEU A 189 -0.883 -7.906 9.949 1.00 0.57 C ATOM 1934 CG LEU A 189 -2.425 -7.993 9.965 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -3.013 -7.068 8.890 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -2.875 -9.437 9.683 1.00 1.78 C ATOM 0 H LEU A 189 -0.479 -6.239 11.775 1.00 0.43 H new ATOM 0 HA LEU A 189 -0.962 -9.066 11.762 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -0.572 -6.890 9.706 1.00 0.57 H new ATOM 0 HB3 LEU A 189 -0.484 -8.556 9.171 1.00 0.57 H new ATOM 0 HG LEU A 189 -2.780 -7.685 10.948 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -4.101 -7.135 8.908 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -2.710 -6.040 9.089 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -2.647 -7.371 7.909 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -3.964 -9.488 9.696 1.00 1.78 H new ATOM 0 HD22 LEU A 189 -2.509 -9.748 8.704 1.00 1.78 H new ATOM 0 HD23 LEU A 189 -2.471 -10.100 10.448 1.00 1.78 H new ATOM 1948 N ALA A 190 2.061 -8.351 11.845 1.00 0.37 N ATOM 1949 CA ALA A 190 3.448 -8.865 11.723 1.00 0.42 C ATOM 1950 C ALA A 190 3.545 -10.219 12.423 1.00 0.44 C ATOM 1951 O ALA A 190 4.575 -10.864 12.389 1.00 0.53 O ATOM 1952 CB ALA A 190 4.414 -7.878 12.381 1.00 0.47 C ATOM 0 H ALA A 190 1.942 -7.571 12.491 1.00 0.37 H new ATOM 0 HA ALA A 190 3.708 -8.979 10.671 1.00 0.42 H new ATOM 0 HB1 ALA A 190 5.434 -8.253 12.293 1.00 0.47 H new ATOM 0 HB2 ALA A 190 4.339 -6.910 11.885 1.00 0.47 H new ATOM 0 HB3 ALA A 190 4.158 -7.766 13.435 1.00 0.47 H new ATOM 1958 N PHE A 191 2.475 -10.665 13.045 1.00 0.42 N ATOM 1959 CA PHE A 191 2.510 -12.001 13.737 1.00 0.51 C ATOM 1960 C PHE A 191 1.237 -12.798 13.422 1.00 0.56 C ATOM 1961 O PHE A 191 1.301 -13.843 12.805 1.00 0.96 O ATOM 1962 CB PHE A 191 2.676 -11.822 15.256 1.00 0.58 C ATOM 1963 CG PHE A 191 1.515 -11.063 15.856 1.00 1.14 C ATOM 1964 CD1 PHE A 191 1.525 -9.664 15.871 1.00 1.81 C ATOM 1965 CD2 PHE A 191 0.442 -11.760 16.425 1.00 1.98 C ATOM 1966 CE1 PHE A 191 0.460 -8.962 16.449 1.00 2.75 C ATOM 1967 CE2 PHE A 191 -0.620 -11.056 17.007 1.00 2.87 C ATOM 1968 CZ PHE A 191 -0.611 -9.657 17.017 1.00 3.15 C ATOM 0 H PHE A 191 1.586 -10.168 13.104 1.00 0.42 H new ATOM 0 HA PHE A 191 3.369 -12.560 13.365 1.00 0.51 H new ATOM 0 HB2 PHE A 191 2.757 -12.799 15.732 1.00 0.58 H new ATOM 0 HB3 PHE A 191 3.605 -11.289 15.461 1.00 0.58 H new ATOM 0 HD1 PHE A 191 2.354 -9.125 15.437 1.00 1.81 H new ATOM 0 HD2 PHE A 191 0.433 -12.840 16.415 1.00 1.98 H new ATOM 0 HE1 PHE A 191 0.466 -7.882 16.456 1.00 2.75 H new ATOM 0 HE2 PHE A 191 -1.446 -11.594 17.448 1.00 2.87 H new ATOM 0 HZ PHE A 191 -1.431 -9.115 17.463 1.00 3.15 H new ATOM 1978 N HIS A 192 0.085 -12.335 13.824 1.00 0.64 N ATOM 1979 CA HIS A 192 -1.156 -13.110 13.512 1.00 0.72 C ATOM 1980 C HIS A 192 -1.506 -12.952 12.030 1.00 0.67 C ATOM 1981 O HIS A 192 -1.286 -11.912 11.440 1.00 1.26 O ATOM 1982 CB HIS A 192 -2.326 -12.619 14.378 1.00 1.01 C ATOM 1983 CG HIS A 192 -2.791 -11.264 13.910 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -3.983 -11.091 13.224 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -2.237 -10.013 14.020 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -4.108 -9.780 12.951 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -3.070 -9.077 13.413 1.00 3.35 N ATOM 0 H HIS A 192 -0.053 -11.470 14.346 1.00 0.64 H new ATOM 0 HA HIS A 192 -0.976 -14.163 13.731 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -3.149 -13.331 14.326 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -2.017 -12.564 15.422 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -1.298 -9.789 14.504 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -4.945 -9.348 12.423 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -2.920 -8.071 13.337 1.00 3.35 H new ATOM 1995 N HIS A 193 -2.061 -13.975 11.430 1.00 0.77 N ATOM 1996 CA HIS A 193 -2.447 -13.901 9.986 1.00 0.85 C ATOM 1997 C HIS A 193 -3.973 -13.840 9.884 1.00 0.74 C ATOM 1998 O HIS A 193 -4.656 -14.835 10.028 1.00 0.78 O ATOM 1999 CB HIS A 193 -1.932 -15.147 9.259 1.00 1.28 C ATOM 2000 CG HIS A 193 -2.190 -16.366 10.099 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -3.135 -16.381 11.114 1.00 2.84 N ATOM 2002 CD2 HIS A 193 -1.636 -17.621 10.086 1.00 2.99 C ATOM 2003 CE1 HIS A 193 -3.120 -17.610 11.663 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -2.223 -18.405 11.074 1.00 3.87 N ATOM 0 H HIS A 193 -2.265 -14.866 11.882 1.00 0.77 H new ATOM 0 HA HIS A 193 -2.012 -13.012 9.529 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -2.428 -15.247 8.293 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -0.865 -15.049 9.061 1.00 1.28 H new ATOM 0 HD1 HIS A 193 -3.732 -15.603 11.393 1.00 2.84 H new ATOM 0 HD2 HIS A 193 -0.861 -17.951 9.410 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -3.756 -17.916 12.480 1.00 3.75 H new ATOM 2012 N MET A 194 -4.515 -12.676 9.647 1.00 0.73 N ATOM 2013 CA MET A 194 -5.998 -12.546 9.546 1.00 0.79 C ATOM 2014 C MET A 194 -6.472 -13.056 8.183 1.00 0.75 C ATOM 2015 O MET A 194 -7.458 -13.757 8.082 1.00 0.90 O ATOM 2016 CB MET A 194 -6.391 -11.075 9.703 1.00 0.91 C ATOM 2017 CG MET A 194 -7.910 -10.964 9.859 1.00 1.47 C ATOM 2018 SD MET A 194 -8.399 -11.605 11.479 1.00 2.35 S ATOM 2019 CE MET A 194 -10.045 -10.854 11.536 1.00 2.94 C ATOM 0 H MET A 194 -3.995 -11.808 9.519 1.00 0.73 H new ATOM 0 HA MET A 194 -6.465 -13.137 10.334 1.00 0.79 H new ATOM 0 HB2 MET A 194 -5.893 -10.646 10.573 1.00 0.91 H new ATOM 0 HB3 MET A 194 -6.062 -10.505 8.834 1.00 0.91 H new ATOM 0 HG2 MET A 194 -8.222 -9.924 9.758 1.00 1.47 H new ATOM 0 HG3 MET A 194 -8.409 -11.524 9.069 1.00 1.47 H new ATOM 0 HE1 MET A 194 -10.536 -11.125 12.471 1.00 2.94 H new ATOM 0 HE2 MET A 194 -9.952 -9.770 11.475 1.00 2.94 H new ATOM 0 HE3 MET A 194 -10.639 -11.215 10.696 1.00 2.94 H new ATOM 2029 N ALA A 195 -5.780 -12.705 7.133 1.00 0.66 N ATOM 2030 CA ALA A 195 -6.198 -13.168 5.778 1.00 0.76 C ATOM 2031 C ALA A 195 -6.391 -14.685 5.793 1.00 0.90 C ATOM 2032 O ALA A 195 -7.208 -15.223 5.074 1.00 1.11 O ATOM 2033 CB ALA A 195 -5.119 -12.801 4.758 1.00 0.82 C ATOM 0 H ALA A 195 -4.945 -12.119 7.154 1.00 0.66 H new ATOM 0 HA ALA A 195 -7.136 -12.686 5.504 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -5.424 -13.139 3.768 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -4.982 -11.720 4.746 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -4.180 -13.282 5.032 1.00 0.82 H new