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 117 THR OG1 : rot -10:sc= -2.54 USER MOD Set 1.2: A 118 GLN :FLIP amide:sc= -7.85! C(o=-16!,f=-10!) USER MOD Set 2.1: A 88 SER OG : rot 105:sc= -0.827! USER MOD Set 2.2: A 89 HIS : no HE2:sc= -3.04 K(o=-5.5,f=-23!) USER MOD Set 2.3: A 142 CYS SG : rot 106:sc= -1.62 USER MOD Single : A 79 MET CE :methyl 152:sc= -0.177 (180deg=-0.736) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.726! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 156:sc= -0.0223 (180deg=-0.63) USER MOD Single : A 92 LYS NZ :NH3+ 164:sc= 0.146 (180deg=0.0279) USER MOD Single : A 94 LYS NZ :NH3+ -159:sc= -0.0963 (180deg=-0.742) USER MOD Single : A 102 HIS : no HD1:sc= -6.53! C(o=-6.5!,f=-7.4!) USER MOD Single : A 103 SER OG : rot 180:sc= -0.314 USER MOD Single : A 104 GLN : amide:sc= -0.0177 X(o=-0.018,f=0) USER MOD Single : A 107 GLN : amide:sc= -4.32! C(o=-4.3!,f=-4!) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.5) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -4.59! C(o=-4.6!,f=-10!) USER MOD Single : A 126 ASN :FLIP amide:sc= -2.54 F(o=-4!,f=-2.5) USER MOD Single : A 127 TYR OH : rot 150:sc= 0.014 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 180:sc= -0.057 USER MOD Single : A 143 TYR OH : rot 180:sc= -0.0508 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 192 HIS :FLIP no HD1:sc= -1.66 F(o=-2.3,f=-1.7) USER MOD Single : A 193 HIS : no HD1:sc= -1.76! C(o=-1.8!,f=-3.2!) USER MOD Single : A 194 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 18.905 -0.135 -8.487 1.00 1.04 N ATOM 275 CA VAL A 74 20.091 -0.790 -7.856 1.00 0.93 C ATOM 276 C VAL A 74 19.925 -2.304 -8.045 1.00 0.86 C ATOM 277 O VAL A 74 18.814 -2.774 -8.193 1.00 0.89 O ATOM 278 CB VAL A 74 20.119 -0.458 -6.353 1.00 1.09 C ATOM 279 CG1 VAL A 74 20.394 1.039 -6.146 1.00 1.17 C ATOM 280 CG2 VAL A 74 18.774 -0.823 -5.722 1.00 1.38 C ATOM 0 HA VAL A 74 21.019 -0.441 -8.309 1.00 0.93 H new ATOM 0 HB VAL A 74 20.914 -1.034 -5.878 1.00 1.09 H new ATOM 0 HG11 VAL A 74 20.411 1.262 -5.079 1.00 1.17 H new ATOM 0 HG12 VAL A 74 21.357 1.296 -6.586 1.00 1.17 H new ATOM 0 HG13 VAL A 74 19.609 1.623 -6.626 1.00 1.17 H new ATOM 0 HG21 VAL A 74 18.795 -0.587 -4.658 1.00 1.38 H new ATOM 0 HG22 VAL A 74 17.979 -0.253 -6.204 1.00 1.38 H new ATOM 0 HG23 VAL A 74 18.587 -1.889 -5.854 1.00 1.38 H new ATOM 290 N PRO A 75 20.995 -3.072 -8.044 1.00 0.93 N ATOM 291 CA PRO A 75 20.909 -4.550 -8.216 1.00 1.00 C ATOM 292 C PRO A 75 19.637 -5.130 -7.583 1.00 0.88 C ATOM 293 O PRO A 75 19.236 -4.746 -6.503 1.00 0.84 O ATOM 294 CB PRO A 75 22.164 -5.040 -7.504 1.00 1.18 C ATOM 295 CG PRO A 75 23.180 -3.967 -7.767 1.00 1.37 C ATOM 296 CD PRO A 75 22.399 -2.640 -7.890 1.00 1.13 C ATOM 0 HA PRO A 75 20.854 -4.857 -9.261 1.00 1.00 H new ATOM 0 HB2 PRO A 75 21.990 -5.171 -6.436 1.00 1.18 H new ATOM 0 HB3 PRO A 75 22.492 -6.003 -7.894 1.00 1.18 H new ATOM 0 HG2 PRO A 75 23.907 -3.915 -6.957 1.00 1.37 H new ATOM 0 HG3 PRO A 75 23.736 -4.176 -8.681 1.00 1.37 H new ATOM 0 HD2 PRO A 75 22.531 -2.015 -7.007 1.00 1.13 H new ATOM 0 HD3 PRO A 75 22.734 -2.056 -8.747 1.00 1.13 H new ATOM 304 N LEU A 76 18.984 -6.029 -8.268 1.00 0.86 N ATOM 305 CA LEU A 76 17.716 -6.609 -7.733 1.00 0.77 C ATOM 306 C LEU A 76 17.966 -7.332 -6.409 1.00 0.77 C ATOM 307 O LEU A 76 18.465 -8.440 -6.376 1.00 0.85 O ATOM 308 CB LEU A 76 17.139 -7.602 -8.748 1.00 0.84 C ATOM 309 CG LEU A 76 16.732 -6.868 -10.035 1.00 0.87 C ATOM 310 CD1 LEU A 76 16.364 -7.902 -11.107 1.00 1.01 C ATOM 311 CD2 LEU A 76 15.522 -5.947 -9.771 1.00 0.76 C ATOM 0 H LEU A 76 19.274 -6.389 -9.178 1.00 0.86 H new ATOM 0 HA LEU A 76 17.010 -5.796 -7.561 1.00 0.77 H new ATOM 0 HB2 LEU A 76 17.878 -8.370 -8.977 1.00 0.84 H new ATOM 0 HB3 LEU A 76 16.274 -8.109 -8.321 1.00 0.84 H new ATOM 0 HG LEU A 76 17.568 -6.257 -10.376 1.00 0.87 H new ATOM 0 HD11 LEU A 76 16.074 -7.388 -12.024 1.00 1.01 H new ATOM 0 HD12 LEU A 76 17.224 -8.542 -11.306 1.00 1.01 H new ATOM 0 HD13 LEU A 76 15.532 -8.512 -10.754 1.00 1.01 H new ATOM 0 HD21 LEU A 76 15.247 -5.435 -10.693 1.00 0.76 H new ATOM 0 HD22 LEU A 76 14.679 -6.544 -9.422 1.00 0.76 H new ATOM 0 HD23 LEU A 76 15.784 -5.211 -9.011 1.00 0.76 H new ATOM 323 N ARG A 77 17.600 -6.717 -5.316 1.00 0.74 N ATOM 324 CA ARG A 77 17.789 -7.369 -3.989 1.00 0.79 C ATOM 325 C ARG A 77 16.625 -8.346 -3.754 1.00 0.71 C ATOM 326 O ARG A 77 15.541 -8.145 -4.265 1.00 0.73 O ATOM 327 CB ARG A 77 17.788 -6.300 -2.890 1.00 0.85 C ATOM 328 CG ARG A 77 19.128 -5.561 -2.890 1.00 1.19 C ATOM 329 CD ARG A 77 19.026 -4.307 -2.016 1.00 1.52 C ATOM 330 NE ARG A 77 18.202 -4.602 -0.810 1.00 2.13 N ATOM 331 CZ ARG A 77 18.239 -3.799 0.219 1.00 2.66 C ATOM 332 NH1 ARG A 77 19.002 -2.741 0.196 1.00 2.73 N ATOM 333 NH2 ARG A 77 17.510 -4.054 1.271 1.00 3.61 N ATOM 0 H ARG A 77 17.177 -5.789 -5.286 1.00 0.74 H new ATOM 0 HA ARG A 77 18.738 -7.905 -3.967 1.00 0.79 H new ATOM 0 HB2 ARG A 77 16.973 -5.595 -3.055 1.00 0.85 H new ATOM 0 HB3 ARG A 77 17.617 -6.763 -1.918 1.00 0.85 H new ATOM 0 HG2 ARG A 77 19.915 -6.215 -2.514 1.00 1.19 H new ATOM 0 HG3 ARG A 77 19.402 -5.285 -3.908 1.00 1.19 H new ATOM 0 HD2 ARG A 77 20.021 -3.978 -1.717 1.00 1.52 H new ATOM 0 HD3 ARG A 77 18.578 -3.491 -2.584 1.00 1.52 H new ATOM 0 HE ARG A 77 17.609 -5.432 -0.788 1.00 2.13 H new ATOM 0 HH11 ARG A 77 19.571 -2.540 -0.627 1.00 2.73 H new ATOM 0 HH12 ARG A 77 19.030 -2.115 1.001 1.00 2.73 H new ATOM 0 HH21 ARG A 77 16.912 -4.880 1.289 1.00 3.61 H new ATOM 0 HH22 ARG A 77 17.538 -3.427 2.075 1.00 3.61 H new ATOM 347 N PRO A 78 16.830 -9.390 -2.986 1.00 0.79 N ATOM 348 CA PRO A 78 15.756 -10.389 -2.696 1.00 0.76 C ATOM 349 C PRO A 78 14.749 -9.874 -1.655 1.00 0.67 C ATOM 350 O PRO A 78 15.072 -9.719 -0.494 1.00 0.69 O ATOM 351 CB PRO A 78 16.537 -11.588 -2.148 1.00 0.86 C ATOM 352 CG PRO A 78 17.727 -10.982 -1.480 1.00 1.18 C ATOM 353 CD PRO A 78 18.096 -9.750 -2.313 1.00 1.06 C ATOM 0 HA PRO A 78 15.156 -10.620 -3.576 1.00 0.76 H new ATOM 0 HB2 PRO A 78 15.937 -12.165 -1.444 1.00 0.86 H new ATOM 0 HB3 PRO A 78 16.833 -12.268 -2.947 1.00 0.86 H new ATOM 0 HG2 PRO A 78 17.498 -10.703 -0.452 1.00 1.18 H new ATOM 0 HG3 PRO A 78 18.555 -11.689 -1.441 1.00 1.18 H new ATOM 0 HD2 PRO A 78 18.461 -8.937 -1.685 1.00 1.06 H new ATOM 0 HD3 PRO A 78 18.883 -9.975 -3.033 1.00 1.06 H new ATOM 361 N MET A 79 13.534 -9.611 -2.059 1.00 0.65 N ATOM 362 CA MET A 79 12.521 -9.112 -1.084 1.00 0.61 C ATOM 363 C MET A 79 12.187 -10.226 -0.089 1.00 0.51 C ATOM 364 O MET A 79 11.506 -11.179 -0.416 1.00 0.56 O ATOM 365 CB MET A 79 11.248 -8.685 -1.826 1.00 0.66 C ATOM 366 CG MET A 79 10.235 -8.140 -0.817 1.00 0.74 C ATOM 367 SD MET A 79 8.923 -7.257 -1.696 1.00 1.25 S ATOM 368 CE MET A 79 8.523 -6.081 -0.379 1.00 0.83 C ATOM 0 H MET A 79 13.201 -9.720 -3.017 1.00 0.65 H new ATOM 0 HA MET A 79 12.926 -8.252 -0.550 1.00 0.61 H new ATOM 0 HB2 MET A 79 11.484 -7.924 -2.569 1.00 0.66 H new ATOM 0 HB3 MET A 79 10.824 -9.534 -2.363 1.00 0.66 H new ATOM 0 HG2 MET A 79 9.810 -8.957 -0.234 1.00 0.74 H new ATOM 0 HG3 MET A 79 10.730 -7.471 -0.114 1.00 0.74 H new ATOM 0 HE1 MET A 79 8.131 -5.163 -0.817 1.00 0.83 H new ATOM 0 HE2 MET A 79 7.774 -6.516 0.282 1.00 0.83 H new ATOM 0 HE3 MET A 79 9.423 -5.854 0.192 1.00 0.83 H new ATOM 378 N THR A 80 12.672 -10.123 1.121 1.00 0.56 N ATOM 379 CA THR A 80 12.393 -11.185 2.134 1.00 0.60 C ATOM 380 C THR A 80 11.084 -10.905 2.852 1.00 0.56 C ATOM 381 O THR A 80 10.693 -9.772 3.031 1.00 0.50 O ATOM 382 CB THR A 80 13.533 -11.233 3.159 1.00 0.77 C ATOM 383 OG1 THR A 80 13.352 -10.203 4.121 1.00 0.94 O ATOM 384 CG2 THR A 80 14.874 -11.039 2.447 1.00 0.73 C ATOM 0 H THR A 80 13.249 -9.350 1.452 1.00 0.56 H new ATOM 0 HA THR A 80 12.317 -12.143 1.620 1.00 0.60 H new ATOM 0 HB THR A 80 13.527 -12.201 3.660 1.00 0.77 H new ATOM 0 HG1 THR A 80 14.080 -10.236 4.776 1.00 0.94 H new ATOM 0 HG21 THR A 80 15.682 -11.074 3.178 1.00 0.73 H new ATOM 0 HG22 THR A 80 15.014 -11.832 1.713 1.00 0.73 H new ATOM 0 HG23 THR A 80 14.882 -10.073 1.943 1.00 0.73 H new ATOM 392 N TYR A 81 10.409 -11.936 3.296 1.00 0.61 N ATOM 393 CA TYR A 81 9.142 -11.716 4.043 1.00 0.60 C ATOM 394 C TYR A 81 9.484 -10.718 5.147 1.00 0.51 C ATOM 395 O TYR A 81 8.799 -9.739 5.368 1.00 0.45 O ATOM 396 CB TYR A 81 8.647 -13.075 4.612 1.00 0.69 C ATOM 397 CG TYR A 81 8.616 -13.076 6.132 1.00 0.60 C ATOM 398 CD1 TYR A 81 7.602 -12.387 6.810 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.601 -13.760 6.855 1.00 0.71 C ATOM 400 CE1 TYR A 81 7.574 -12.384 8.210 1.00 0.66 C ATOM 401 CE2 TYR A 81 9.573 -13.756 8.254 1.00 0.77 C ATOM 402 CZ TYR A 81 8.559 -13.068 8.932 1.00 0.73 C ATOM 403 OH TYR A 81 8.530 -13.064 10.311 1.00 0.90 O ATOM 0 H TYR A 81 10.681 -12.911 3.173 1.00 0.61 H new ATOM 0 HA TYR A 81 8.338 -11.324 3.420 1.00 0.60 H new ATOM 0 HB2 TYR A 81 7.649 -13.287 4.228 1.00 0.69 H new ATOM 0 HB3 TYR A 81 9.300 -13.875 4.262 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.842 -11.858 6.253 1.00 0.59 H new ATOM 0 HD2 TYR A 81 10.383 -14.291 6.332 1.00 0.71 H new ATOM 0 HE1 TYR A 81 6.792 -11.854 8.733 1.00 0.66 H new ATOM 0 HE2 TYR A 81 10.333 -14.283 8.811 1.00 0.77 H new ATOM 0 HH TYR A 81 9.284 -13.587 10.656 1.00 0.90 H new ATOM 413 N LYS A 82 10.585 -10.957 5.799 1.00 0.52 N ATOM 414 CA LYS A 82 11.043 -10.024 6.847 1.00 0.48 C ATOM 415 C LYS A 82 11.257 -8.660 6.196 1.00 0.40 C ATOM 416 O LYS A 82 11.111 -7.633 6.828 1.00 0.38 O ATOM 417 CB LYS A 82 12.359 -10.524 7.451 1.00 0.55 C ATOM 418 CG LYS A 82 12.628 -9.791 8.768 1.00 0.60 C ATOM 419 CD LYS A 82 13.870 -10.386 9.436 1.00 0.92 C ATOM 420 CE LYS A 82 14.340 -9.460 10.560 1.00 1.49 C ATOM 421 NZ LYS A 82 13.165 -9.012 11.359 1.00 2.32 N ATOM 0 H LYS A 82 11.187 -11.766 5.646 1.00 0.52 H new ATOM 0 HA LYS A 82 10.303 -9.954 7.644 1.00 0.48 H new ATOM 0 HB2 LYS A 82 12.306 -11.599 7.625 1.00 0.55 H new ATOM 0 HB3 LYS A 82 13.179 -10.354 6.754 1.00 0.55 H new ATOM 0 HG2 LYS A 82 12.776 -8.727 8.581 1.00 0.60 H new ATOM 0 HG3 LYS A 82 11.767 -9.882 9.430 1.00 0.60 H new ATOM 0 HD2 LYS A 82 13.642 -11.374 9.836 1.00 0.92 H new ATOM 0 HD3 LYS A 82 14.664 -10.515 8.701 1.00 0.92 H new ATOM 0 HE2 LYS A 82 15.052 -9.981 11.201 1.00 1.49 H new ATOM 0 HE3 LYS A 82 14.859 -8.598 10.142 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 13.477 -8.743 12.314 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 12.722 -8.193 10.896 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 12.475 -9.787 11.426 1.00 2.32 H new ATOM 435 N ALA A 83 11.599 -8.631 4.923 1.00 0.42 N ATOM 436 CA ALA A 83 11.805 -7.307 4.266 1.00 0.41 C ATOM 437 C ALA A 83 10.473 -6.554 4.237 1.00 0.35 C ATOM 438 O ALA A 83 10.430 -5.344 4.332 1.00 0.34 O ATOM 439 CB ALA A 83 12.321 -7.501 2.836 1.00 0.52 C ATOM 0 H ALA A 83 11.740 -9.448 4.329 1.00 0.42 H new ATOM 0 HA ALA A 83 12.543 -6.734 4.828 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.467 -6.528 2.367 1.00 0.52 H new ATOM 0 HB2 ALA A 83 13.269 -8.038 2.861 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.594 -8.075 2.262 1.00 0.52 H new ATOM 445 N ALA A 84 9.387 -7.265 4.105 1.00 0.34 N ATOM 446 CA ALA A 84 8.054 -6.599 4.070 1.00 0.31 C ATOM 447 C ALA A 84 7.783 -5.910 5.410 1.00 0.28 C ATOM 448 O ALA A 84 7.416 -4.753 5.458 1.00 0.28 O ATOM 449 CB ALA A 84 6.972 -7.647 3.805 1.00 0.34 C ATOM 0 H ALA A 84 9.365 -8.281 4.020 1.00 0.34 H new ATOM 0 HA ALA A 84 8.043 -5.852 3.276 1.00 0.31 H new ATOM 0 HB1 ALA A 84 5.996 -7.163 3.779 1.00 0.34 H new ATOM 0 HB2 ALA A 84 7.162 -8.132 2.848 1.00 0.34 H new ATOM 0 HB3 ALA A 84 6.986 -8.393 4.599 1.00 0.34 H new ATOM 455 N VAL A 85 7.952 -6.612 6.498 1.00 0.29 N ATOM 456 CA VAL A 85 7.693 -5.991 7.831 1.00 0.29 C ATOM 457 C VAL A 85 8.660 -4.830 8.049 1.00 0.29 C ATOM 458 O VAL A 85 8.272 -3.761 8.477 1.00 0.30 O ATOM 459 CB VAL A 85 7.880 -7.040 8.935 1.00 0.33 C ATOM 460 CG1 VAL A 85 7.189 -6.573 10.221 1.00 0.37 C ATOM 461 CG2 VAL A 85 7.266 -8.365 8.483 1.00 0.38 C ATOM 0 H VAL A 85 8.257 -7.585 6.523 1.00 0.29 H new ATOM 0 HA VAL A 85 6.670 -5.617 7.864 1.00 0.29 H new ATOM 0 HB VAL A 85 8.945 -7.173 9.128 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.326 -7.323 11.000 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.625 -5.628 10.546 1.00 0.37 H new ATOM 0 HG13 VAL A 85 6.124 -6.436 10.033 1.00 0.37 H new ATOM 0 HG21 VAL A 85 7.397 -9.113 9.265 1.00 0.38 H new ATOM 0 HG22 VAL A 85 6.202 -8.226 8.289 1.00 0.38 H new ATOM 0 HG23 VAL A 85 7.760 -8.703 7.572 1.00 0.38 H new ATOM 471 N ASP A 86 9.912 -5.019 7.745 1.00 0.30 N ATOM 472 CA ASP A 86 10.879 -3.908 7.925 1.00 0.32 C ATOM 473 C ASP A 86 10.428 -2.748 7.041 1.00 0.30 C ATOM 474 O ASP A 86 10.293 -1.625 7.482 1.00 0.31 O ATOM 475 CB ASP A 86 12.275 -4.368 7.494 1.00 0.36 C ATOM 476 CG ASP A 86 12.864 -5.291 8.562 1.00 0.42 C ATOM 477 OD1 ASP A 86 12.787 -4.942 9.728 1.00 1.23 O ATOM 478 OD2 ASP A 86 13.385 -6.333 8.195 1.00 1.05 O ATOM 0 H ASP A 86 10.304 -5.888 7.383 1.00 0.30 H new ATOM 0 HA ASP A 86 10.917 -3.600 8.970 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.218 -4.890 6.539 1.00 0.36 H new ATOM 0 HB3 ASP A 86 12.924 -3.505 7.347 1.00 0.36 H new ATOM 483 N LEU A 87 10.183 -3.026 5.792 1.00 0.29 N ATOM 484 CA LEU A 87 9.726 -1.966 4.857 1.00 0.30 C ATOM 485 C LEU A 87 8.358 -1.431 5.295 1.00 0.29 C ATOM 486 O LEU A 87 8.107 -0.243 5.244 1.00 0.30 O ATOM 487 CB LEU A 87 9.617 -2.557 3.446 1.00 0.33 C ATOM 488 CG LEU A 87 9.411 -1.436 2.410 1.00 0.42 C ATOM 489 CD1 LEU A 87 10.751 -0.774 2.058 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.800 -2.028 1.134 1.00 0.44 C ATOM 0 H LEU A 87 10.281 -3.952 5.376 1.00 0.29 H new ATOM 0 HA LEU A 87 10.444 -1.146 4.862 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.521 -3.119 3.209 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.785 -3.259 3.402 1.00 0.33 H new ATOM 0 HG LEU A 87 8.744 -0.687 2.836 1.00 0.42 H new ATOM 0 HD11 LEU A 87 10.585 0.015 1.325 1.00 0.52 H new ATOM 0 HD12 LEU A 87 11.193 -0.346 2.958 1.00 0.52 H new ATOM 0 HD13 LEU A 87 11.427 -1.520 1.641 1.00 0.52 H new ATOM 0 HD21 LEU A 87 8.653 -1.236 0.399 1.00 0.44 H new ATOM 0 HD22 LEU A 87 9.472 -2.782 0.725 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.840 -2.487 1.369 1.00 0.44 H new ATOM 502 N SER A 88 7.463 -2.290 5.716 1.00 0.30 N ATOM 503 CA SER A 88 6.119 -1.803 6.136 1.00 0.34 C ATOM 504 C SER A 88 6.265 -0.698 7.184 1.00 0.33 C ATOM 505 O SER A 88 5.643 0.342 7.092 1.00 0.36 O ATOM 506 CB SER A 88 5.319 -2.960 6.727 1.00 0.40 C ATOM 507 OG SER A 88 5.906 -3.356 7.960 1.00 0.44 O ATOM 0 H SER A 88 7.605 -3.298 5.786 1.00 0.30 H new ATOM 0 HA SER A 88 5.598 -1.403 5.266 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.284 -2.658 6.884 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.304 -3.799 6.032 1.00 0.40 H new ATOM 0 HG SER A 88 5.357 -3.030 8.703 1.00 0.44 H new ATOM 513 N HIS A 89 7.070 -0.915 8.187 1.00 0.34 N ATOM 514 CA HIS A 89 7.236 0.123 9.241 1.00 0.36 C ATOM 515 C HIS A 89 8.050 1.300 8.705 1.00 0.36 C ATOM 516 O HIS A 89 7.822 2.435 9.074 1.00 0.41 O ATOM 517 CB HIS A 89 7.951 -0.482 10.451 1.00 0.41 C ATOM 518 CG HIS A 89 7.108 -1.585 11.028 1.00 0.52 C ATOM 519 ND1 HIS A 89 6.633 -2.633 10.255 1.00 1.43 N ATOM 520 CD2 HIS A 89 6.642 -1.815 12.298 1.00 1.01 C ATOM 521 CE1 HIS A 89 5.915 -3.437 11.059 1.00 1.27 C ATOM 522 NE2 HIS A 89 5.889 -2.985 12.316 1.00 0.82 N ATOM 0 H HIS A 89 7.619 -1.764 8.322 1.00 0.34 H new ATOM 0 HA HIS A 89 6.250 0.481 9.538 1.00 0.36 H new ATOM 0 HB2 HIS A 89 8.925 -0.871 10.155 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.130 0.286 11.204 1.00 0.41 H new ATOM 0 HD1 HIS A 89 6.798 -2.769 9.258 1.00 1.43 H new ATOM 0 HD2 HIS A 89 6.831 -1.184 13.154 1.00 1.01 H new ATOM 0 HE1 HIS A 89 5.420 -4.338 10.729 1.00 1.27 H new ATOM 530 N PHE A 90 8.993 1.057 7.836 1.00 0.34 N ATOM 531 CA PHE A 90 9.790 2.192 7.303 1.00 0.37 C ATOM 532 C PHE A 90 8.837 3.191 6.650 1.00 0.40 C ATOM 533 O PHE A 90 8.837 4.365 6.963 1.00 0.47 O ATOM 534 CB PHE A 90 10.793 1.683 6.263 1.00 0.38 C ATOM 535 CG PHE A 90 11.823 2.756 5.989 1.00 0.47 C ATOM 536 CD1 PHE A 90 12.889 2.945 6.876 1.00 0.57 C ATOM 537 CD2 PHE A 90 11.710 3.564 4.850 1.00 0.59 C ATOM 538 CE1 PHE A 90 13.843 3.938 6.625 1.00 0.69 C ATOM 539 CE2 PHE A 90 12.664 4.558 4.598 1.00 0.70 C ATOM 540 CZ PHE A 90 13.730 4.745 5.487 1.00 0.72 C ATOM 0 H PHE A 90 9.242 0.135 7.478 1.00 0.34 H new ATOM 0 HA PHE A 90 10.338 2.671 8.114 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.282 0.779 6.626 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.275 1.418 5.342 1.00 0.38 H new ATOM 0 HD1 PHE A 90 12.976 2.324 7.755 1.00 0.57 H new ATOM 0 HD2 PHE A 90 10.887 3.420 4.166 1.00 0.59 H new ATOM 0 HE1 PHE A 90 14.666 4.081 7.309 1.00 0.69 H new ATOM 0 HE2 PHE A 90 12.578 5.180 3.719 1.00 0.70 H new ATOM 0 HZ PHE A 90 14.465 5.512 5.294 1.00 0.72 H new ATOM 550 N LEU A 91 8.019 2.729 5.746 1.00 0.37 N ATOM 551 CA LEU A 91 7.058 3.642 5.073 1.00 0.42 C ATOM 552 C LEU A 91 6.101 4.241 6.107 1.00 0.47 C ATOM 553 O LEU A 91 5.633 5.352 5.960 1.00 0.57 O ATOM 554 CB LEU A 91 6.250 2.859 4.034 1.00 0.41 C ATOM 555 CG LEU A 91 7.145 2.486 2.835 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.544 1.289 2.095 1.00 0.42 C ATOM 557 CD2 LEU A 91 7.255 3.670 1.860 1.00 0.54 C ATOM 0 H LEU A 91 7.976 1.756 5.444 1.00 0.37 H new ATOM 0 HA LEU A 91 7.611 4.443 4.582 1.00 0.42 H new ATOM 0 HB2 LEU A 91 5.840 1.956 4.486 1.00 0.41 H new ATOM 0 HB3 LEU A 91 5.404 3.457 3.694 1.00 0.41 H new ATOM 0 HG LEU A 91 8.137 2.233 3.209 1.00 0.41 H new ATOM 0 HD11 LEU A 91 7.179 1.028 1.248 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.476 0.438 2.773 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.548 1.546 1.735 1.00 0.42 H new ATOM 0 HD21 LEU A 91 7.890 3.391 1.019 1.00 0.54 H new ATOM 0 HD22 LEU A 91 6.263 3.933 1.494 1.00 0.54 H new ATOM 0 HD23 LEU A 91 7.691 4.526 2.375 1.00 0.54 H new ATOM 569 N LYS A 92 5.792 3.512 7.147 1.00 0.45 N ATOM 570 CA LYS A 92 4.850 4.046 8.171 1.00 0.53 C ATOM 571 C LYS A 92 5.441 5.304 8.812 1.00 0.63 C ATOM 572 O LYS A 92 4.760 6.292 9.004 1.00 0.85 O ATOM 573 CB LYS A 92 4.615 2.971 9.247 1.00 0.54 C ATOM 574 CG LYS A 92 3.486 3.398 10.222 1.00 0.73 C ATOM 575 CD LYS A 92 4.072 4.060 11.479 1.00 1.20 C ATOM 576 CE LYS A 92 2.951 4.312 12.491 1.00 1.61 C ATOM 577 NZ LYS A 92 2.521 3.015 13.087 1.00 2.27 N ATOM 0 H LYS A 92 6.150 2.575 7.330 1.00 0.45 H new ATOM 0 HA LYS A 92 3.902 4.303 7.699 1.00 0.53 H new ATOM 0 HB2 LYS A 92 4.351 2.026 8.771 1.00 0.54 H new ATOM 0 HB3 LYS A 92 5.536 2.801 9.804 1.00 0.54 H new ATOM 0 HG2 LYS A 92 2.810 4.092 9.722 1.00 0.73 H new ATOM 0 HG3 LYS A 92 2.896 2.527 10.506 1.00 0.73 H new ATOM 0 HD2 LYS A 92 4.836 3.419 11.918 1.00 1.20 H new ATOM 0 HD3 LYS A 92 4.557 5.000 11.216 1.00 1.20 H new ATOM 0 HE2 LYS A 92 3.297 4.987 13.273 1.00 1.61 H new ATOM 0 HE3 LYS A 92 2.107 4.798 12.002 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 1.969 3.195 13.950 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 1.935 2.496 12.403 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 3.359 2.447 13.325 1.00 2.27 H new ATOM 591 N GLU A 93 6.700 5.275 9.153 1.00 0.62 N ATOM 592 CA GLU A 93 7.328 6.464 9.789 1.00 0.76 C ATOM 593 C GLU A 93 7.515 7.587 8.762 1.00 0.77 C ATOM 594 O GLU A 93 6.833 8.592 8.793 1.00 1.05 O ATOM 595 CB GLU A 93 8.692 6.068 10.361 1.00 0.94 C ATOM 596 CG GLU A 93 8.513 4.923 11.361 1.00 1.22 C ATOM 597 CD GLU A 93 7.692 5.412 12.556 1.00 2.00 C ATOM 598 OE1 GLU A 93 7.892 6.543 12.965 1.00 2.54 O ATOM 599 OE2 GLU A 93 6.876 4.645 13.042 1.00 2.73 O ATOM 0 H GLU A 93 7.321 4.477 9.018 1.00 0.62 H new ATOM 0 HA GLU A 93 6.677 6.823 10.587 1.00 0.76 H new ATOM 0 HB2 GLU A 93 9.360 5.761 9.557 1.00 0.94 H new ATOM 0 HB3 GLU A 93 9.155 6.924 10.851 1.00 0.94 H new ATOM 0 HG2 GLU A 93 8.012 4.082 10.881 1.00 1.22 H new ATOM 0 HG3 GLU A 93 9.486 4.564 11.697 1.00 1.22 H new ATOM 606 N LYS A 94 8.454 7.431 7.870 1.00 0.80 N ATOM 607 CA LYS A 94 8.717 8.498 6.857 1.00 1.02 C ATOM 608 C LYS A 94 7.693 8.443 5.713 1.00 0.96 C ATOM 609 O LYS A 94 7.104 9.444 5.355 1.00 1.41 O ATOM 610 CB LYS A 94 10.133 8.319 6.297 1.00 1.39 C ATOM 611 CG LYS A 94 11.132 8.275 7.458 1.00 1.63 C ATOM 612 CD LYS A 94 12.553 8.461 6.923 1.00 2.18 C ATOM 613 CE LYS A 94 13.541 8.456 8.092 1.00 2.61 C ATOM 614 NZ LYS A 94 13.223 9.580 9.018 1.00 2.96 N ATOM 0 H LYS A 94 9.053 6.609 7.797 1.00 0.80 H new ATOM 0 HA LYS A 94 8.626 9.470 7.342 1.00 1.02 H new ATOM 0 HB2 LYS A 94 10.193 7.400 5.715 1.00 1.39 H new ATOM 0 HB3 LYS A 94 10.377 9.140 5.623 1.00 1.39 H new ATOM 0 HG2 LYS A 94 10.900 9.058 8.180 1.00 1.63 H new ATOM 0 HG3 LYS A 94 11.052 7.323 7.983 1.00 1.63 H new ATOM 0 HD2 LYS A 94 12.797 7.662 6.223 1.00 2.18 H new ATOM 0 HD3 LYS A 94 12.627 9.400 6.374 1.00 2.18 H new ATOM 0 HE2 LYS A 94 13.486 7.506 8.624 1.00 2.61 H new ATOM 0 HE3 LYS A 94 14.561 8.555 7.720 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 14.061 9.804 9.592 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 12.948 10.417 8.466 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 12.439 9.304 9.643 1.00 2.96 H new ATOM 628 N GLY A 95 7.483 7.296 5.125 1.00 1.12 N ATOM 629 CA GLY A 95 6.508 7.207 3.995 1.00 1.51 C ATOM 630 C GLY A 95 5.201 7.904 4.373 1.00 1.10 C ATOM 631 O GLY A 95 4.787 8.854 3.736 1.00 1.71 O ATOM 0 H GLY A 95 7.941 6.420 5.375 1.00 1.12 H new ATOM 0 HA2 GLY A 95 6.931 7.669 3.103 1.00 1.51 H new ATOM 0 HA3 GLY A 95 6.315 6.162 3.752 1.00 1.51 H new ATOM 635 N GLY A 96 4.542 7.438 5.397 1.00 1.17 N ATOM 636 CA GLY A 96 3.255 8.072 5.806 1.00 0.99 C ATOM 637 C GLY A 96 2.135 7.584 4.884 1.00 0.81 C ATOM 638 O GLY A 96 1.281 8.343 4.472 1.00 0.83 O ATOM 0 H GLY A 96 4.837 6.647 5.969 1.00 1.17 H new ATOM 0 HA2 GLY A 96 3.025 7.820 6.841 1.00 0.99 H new ATOM 0 HA3 GLY A 96 3.338 9.158 5.753 1.00 0.99 H new ATOM 642 N LEU A 97 2.134 6.320 4.559 1.00 0.67 N ATOM 643 CA LEU A 97 1.073 5.772 3.664 1.00 0.55 C ATOM 644 C LEU A 97 -0.180 5.464 4.492 1.00 0.46 C ATOM 645 O LEU A 97 -1.284 5.446 3.987 1.00 0.49 O ATOM 646 CB LEU A 97 1.600 4.485 3.009 1.00 0.54 C ATOM 647 CG LEU A 97 0.602 3.951 1.965 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.714 4.744 0.658 1.00 0.65 C ATOM 649 CD2 LEU A 97 0.905 2.477 1.678 1.00 0.66 C ATOM 0 H LEU A 97 2.825 5.640 4.876 1.00 0.67 H new ATOM 0 HA LEU A 97 0.817 6.498 2.892 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.560 4.682 2.532 1.00 0.54 H new ATOM 0 HB3 LEU A 97 1.773 3.728 3.774 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.407 4.059 2.363 1.00 0.54 H new ATOM 0 HD11 LEU A 97 0.001 4.352 -0.068 1.00 0.65 H new ATOM 0 HD12 LEU A 97 0.496 5.795 0.850 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.725 4.650 0.261 1.00 0.65 H new ATOM 0 HD21 LEU A 97 0.199 2.098 0.939 1.00 0.66 H new ATOM 0 HD22 LEU A 97 1.920 2.383 1.292 1.00 0.66 H new ATOM 0 HD23 LEU A 97 0.812 1.900 2.598 1.00 0.66 H new ATOM 661 N GLU A 98 -0.013 5.216 5.759 1.00 0.44 N ATOM 662 CA GLU A 98 -1.186 4.899 6.626 1.00 0.40 C ATOM 663 C GLU A 98 -2.277 5.956 6.464 1.00 0.40 C ATOM 664 O GLU A 98 -2.018 7.123 6.248 1.00 0.58 O ATOM 665 CB GLU A 98 -0.741 4.865 8.090 1.00 0.49 C ATOM 666 CG GLU A 98 -1.933 4.526 8.992 1.00 0.48 C ATOM 667 CD GLU A 98 -1.452 4.385 10.438 1.00 1.26 C ATOM 668 OE1 GLU A 98 -0.398 4.915 10.748 1.00 1.94 O ATOM 669 OE2 GLU A 98 -2.148 3.748 11.213 1.00 2.03 O ATOM 0 H GLU A 98 0.888 5.219 6.236 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.585 3.929 6.329 1.00 0.40 H new ATOM 0 HB2 GLU A 98 0.048 4.124 8.222 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.322 5.830 8.374 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -2.689 5.308 8.923 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -2.402 3.599 8.661 1.00 0.48 H new ATOM 676 N GLY A 99 -3.499 5.536 6.605 1.00 0.39 N ATOM 677 CA GLY A 99 -4.655 6.473 6.508 1.00 0.42 C ATOM 678 C GLY A 99 -4.614 7.298 5.213 1.00 0.42 C ATOM 679 O GLY A 99 -5.429 8.178 5.015 1.00 0.46 O ATOM 0 H GLY A 99 -3.753 4.565 6.787 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -5.586 5.907 6.549 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -4.652 7.144 7.367 1.00 0.42 H new ATOM 683 N LEU A 100 -3.689 7.038 4.329 1.00 0.41 N ATOM 684 CA LEU A 100 -3.637 7.839 3.063 1.00 0.43 C ATOM 685 C LEU A 100 -4.735 7.357 2.102 1.00 0.42 C ATOM 686 O LEU A 100 -4.646 6.288 1.535 1.00 0.44 O ATOM 687 CB LEU A 100 -2.254 7.676 2.406 1.00 0.45 C ATOM 688 CG LEU A 100 -1.971 8.856 1.449 1.00 0.55 C ATOM 689 CD1 LEU A 100 -1.370 10.036 2.226 1.00 1.15 C ATOM 690 CD2 LEU A 100 -0.973 8.423 0.364 1.00 1.17 C ATOM 0 H LEU A 100 -2.974 6.316 4.422 1.00 0.41 H new ATOM 0 HA LEU A 100 -3.801 8.892 3.292 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -1.482 7.629 3.174 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -2.214 6.736 1.856 1.00 0.45 H new ATOM 0 HG LEU A 100 -2.912 9.160 0.989 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -1.175 10.861 1.541 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -2.071 10.361 2.995 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -0.436 9.725 2.695 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -0.779 9.260 -0.307 1.00 1.17 H new ATOM 0 HD22 LEU A 100 -0.040 8.109 0.832 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -1.391 7.592 -0.204 1.00 1.17 H new ATOM 702 N ILE A 101 -5.772 8.139 1.925 1.00 0.44 N ATOM 703 CA ILE A 101 -6.885 7.725 1.015 1.00 0.45 C ATOM 704 C ILE A 101 -6.362 7.482 -0.406 1.00 0.46 C ATOM 705 O ILE A 101 -6.035 8.399 -1.133 1.00 0.49 O ATOM 706 CB ILE A 101 -7.980 8.806 1.015 1.00 0.50 C ATOM 707 CG1 ILE A 101 -8.731 8.780 2.369 1.00 0.51 C ATOM 708 CG2 ILE A 101 -8.966 8.566 -0.139 1.00 0.54 C ATOM 709 CD1 ILE A 101 -9.829 7.695 2.391 1.00 0.52 C ATOM 0 H ILE A 101 -5.896 9.047 2.372 1.00 0.44 H new ATOM 0 HA ILE A 101 -7.311 6.789 1.378 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.517 9.783 0.877 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.021 8.596 3.176 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.180 9.756 2.555 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -9.735 9.338 -0.127 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -8.431 8.602 -1.088 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -9.432 7.588 -0.022 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.334 7.708 3.357 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.553 7.894 1.601 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.377 6.716 2.231 1.00 0.52 H new ATOM 721 N HIS A 102 -6.297 6.236 -0.797 1.00 0.47 N ATOM 722 CA HIS A 102 -5.816 5.884 -2.163 1.00 0.51 C ATOM 723 C HIS A 102 -6.821 6.379 -3.206 1.00 0.58 C ATOM 724 O HIS A 102 -7.910 5.848 -3.331 1.00 0.64 O ATOM 725 CB HIS A 102 -5.691 4.361 -2.267 1.00 0.57 C ATOM 726 CG HIS A 102 -5.171 3.982 -3.625 1.00 0.64 C ATOM 727 ND1 HIS A 102 -4.834 4.926 -4.582 1.00 1.41 N ATOM 728 CD2 HIS A 102 -4.932 2.759 -4.204 1.00 0.64 C ATOM 729 CE1 HIS A 102 -4.417 4.261 -5.676 1.00 1.36 C ATOM 730 NE2 HIS A 102 -4.457 2.939 -5.498 1.00 0.70 N ATOM 0 H HIS A 102 -6.561 5.438 -0.219 1.00 0.47 H new ATOM 0 HA HIS A 102 -4.849 6.353 -2.343 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -5.019 3.989 -1.494 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.662 3.895 -2.097 1.00 0.57 H new ATOM 0 HD2 HIS A 102 -5.089 1.803 -3.726 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -4.090 4.740 -6.587 1.00 1.36 H new ATOM 0 HE2 HIS A 102 -4.195 2.216 -6.168 1.00 0.70 H new ATOM 738 N SER A 103 -6.464 7.387 -3.957 1.00 0.60 N ATOM 739 CA SER A 103 -7.395 7.914 -4.997 1.00 0.69 C ATOM 740 C SER A 103 -7.580 6.865 -6.097 1.00 0.76 C ATOM 741 O SER A 103 -8.547 6.129 -6.109 1.00 0.85 O ATOM 742 CB SER A 103 -6.814 9.193 -5.602 1.00 0.74 C ATOM 743 OG SER A 103 -7.657 9.639 -6.655 1.00 1.49 O ATOM 0 H SER A 103 -5.567 7.869 -3.895 1.00 0.60 H new ATOM 0 HA SER A 103 -8.360 8.135 -4.541 1.00 0.69 H new ATOM 0 HB2 SER A 103 -6.729 9.965 -4.837 1.00 0.74 H new ATOM 0 HB3 SER A 103 -5.809 9.006 -5.980 1.00 0.74 H new ATOM 0 HG SER A 103 -7.288 10.460 -7.044 1.00 1.49 H new ATOM 749 N GLN A 104 -6.658 6.786 -7.022 1.00 0.81 N ATOM 750 CA GLN A 104 -6.784 5.780 -8.120 1.00 0.92 C ATOM 751 C GLN A 104 -5.401 5.480 -8.706 1.00 0.93 C ATOM 752 O GLN A 104 -5.159 4.404 -9.219 1.00 1.37 O ATOM 753 CB GLN A 104 -7.699 6.332 -9.218 1.00 1.06 C ATOM 754 CG GLN A 104 -7.308 7.776 -9.541 1.00 1.76 C ATOM 755 CD GLN A 104 -8.037 8.231 -10.807 1.00 2.14 C ATOM 756 OE1 GLN A 104 -9.220 8.508 -10.774 1.00 2.64 O ATOM 757 NE2 GLN A 104 -7.377 8.323 -11.930 1.00 2.70 N ATOM 0 H GLN A 104 -5.825 7.373 -7.065 1.00 0.81 H new ATOM 0 HA GLN A 104 -7.212 4.861 -7.720 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -7.621 5.715 -10.113 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -8.738 6.291 -8.893 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -7.564 8.429 -8.707 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -6.230 7.849 -9.683 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -6.384 8.091 -11.959 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -7.854 8.627 -12.779 1.00 2.70 H new ATOM 766 N ARG A 105 -4.491 6.422 -8.631 1.00 0.83 N ATOM 767 CA ARG A 105 -3.109 6.208 -9.180 1.00 0.87 C ATOM 768 C ARG A 105 -2.088 6.280 -8.041 1.00 0.74 C ATOM 769 O ARG A 105 -0.903 6.092 -8.241 1.00 0.70 O ATOM 770 CB ARG A 105 -2.801 7.303 -10.205 1.00 1.06 C ATOM 771 CG ARG A 105 -3.578 7.026 -11.492 1.00 1.71 C ATOM 772 CD ARG A 105 -3.200 8.063 -12.552 1.00 1.99 C ATOM 773 NE ARG A 105 -1.729 8.026 -12.778 1.00 2.86 N ATOM 774 CZ ARG A 105 -1.215 8.599 -13.832 1.00 3.60 C ATOM 775 NH1 ARG A 105 -1.992 9.204 -14.689 1.00 3.73 N ATOM 776 NH2 ARG A 105 0.074 8.568 -14.030 1.00 4.61 N ATOM 0 H ARG A 105 -4.646 7.338 -8.210 1.00 0.83 H new ATOM 0 HA ARG A 105 -3.053 5.229 -9.656 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -3.075 8.279 -9.804 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -1.731 7.332 -10.412 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -3.355 6.022 -11.855 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -4.650 7.064 -11.297 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -3.727 7.856 -13.483 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -3.504 9.058 -12.228 1.00 1.99 H new ATOM 0 HE ARG A 105 -1.122 7.552 -12.109 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -3.000 9.229 -14.535 1.00 3.73 H new ATOM 0 HH12 ARG A 105 -1.591 9.652 -15.513 1.00 3.73 H new ATOM 0 HH21 ARG A 105 0.682 8.096 -13.361 1.00 4.61 H new ATOM 0 HH22 ARG A 105 0.474 9.016 -14.854 1.00 4.61 H new ATOM 790 N ARG A 106 -2.537 6.557 -6.849 1.00 0.71 N ATOM 791 CA ARG A 106 -1.597 6.651 -5.696 1.00 0.65 C ATOM 792 C ARG A 106 -0.809 5.341 -5.554 1.00 0.54 C ATOM 793 O ARG A 106 0.359 5.345 -5.219 1.00 0.50 O ATOM 794 CB ARG A 106 -2.404 6.927 -4.411 1.00 0.70 C ATOM 795 CG ARG A 106 -1.552 7.725 -3.403 1.00 1.01 C ATOM 796 CD ARG A 106 -1.627 9.241 -3.703 1.00 1.24 C ATOM 797 NE ARG A 106 -2.082 9.469 -5.107 1.00 1.86 N ATOM 798 CZ ARG A 106 -2.457 10.659 -5.487 1.00 2.48 C ATOM 799 NH1 ARG A 106 -2.399 11.661 -4.652 1.00 2.86 N ATOM 800 NH2 ARG A 106 -2.886 10.851 -6.706 1.00 3.29 N ATOM 0 H ARG A 106 -3.518 6.723 -6.622 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.891 7.464 -5.864 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -3.308 7.485 -4.654 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -2.721 5.985 -3.964 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -1.903 7.532 -2.389 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -0.516 7.391 -3.450 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -2.315 9.723 -3.008 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -0.649 9.698 -3.552 1.00 1.24 H new ATOM 0 HE ARG A 106 -2.100 8.693 -5.769 1.00 1.86 H new ATOM 0 HH11 ARG A 106 -2.060 11.514 -3.701 1.00 2.86 H new ATOM 0 HH12 ARG A 106 -2.693 12.591 -4.950 1.00 2.86 H new ATOM 0 HH21 ARG A 106 -2.928 10.070 -7.361 1.00 3.29 H new ATOM 0 HH22 ARG A 106 -3.179 11.782 -7.003 1.00 3.29 H new ATOM 814 N GLN A 107 -1.435 4.221 -5.799 1.00 0.55 N ATOM 815 CA GLN A 107 -0.712 2.922 -5.669 1.00 0.52 C ATOM 816 C GLN A 107 0.437 2.879 -6.679 1.00 0.49 C ATOM 817 O GLN A 107 1.500 2.360 -6.401 1.00 0.44 O ATOM 818 CB GLN A 107 -1.680 1.763 -5.941 1.00 0.63 C ATOM 819 CG GLN A 107 -0.910 0.431 -5.990 1.00 1.11 C ATOM 820 CD GLN A 107 -0.319 0.215 -7.388 1.00 1.53 C ATOM 821 OE1 GLN A 107 -1.040 -0.033 -8.335 1.00 2.13 O ATOM 822 NE2 GLN A 107 0.972 0.301 -7.557 1.00 2.12 N ATOM 0 H GLN A 107 -2.412 4.149 -6.083 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.314 2.827 -4.659 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -2.441 1.724 -5.161 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -2.199 1.927 -6.885 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -0.113 0.435 -5.246 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -1.577 -0.393 -5.737 1.00 1.11 H new ATOM 0 HE21 GLN A 107 1.578 0.509 -6.763 1.00 2.12 H new ATOM 0 HE22 GLN A 107 1.376 0.160 -8.483 1.00 2.12 H new ATOM 831 N ASP A 108 0.233 3.419 -7.849 1.00 0.56 N ATOM 832 CA ASP A 108 1.315 3.407 -8.874 1.00 0.59 C ATOM 833 C ASP A 108 2.566 4.067 -8.296 1.00 0.54 C ATOM 834 O ASP A 108 3.650 3.520 -8.345 1.00 0.54 O ATOM 835 CB ASP A 108 0.855 4.181 -10.112 1.00 0.72 C ATOM 836 CG ASP A 108 -0.421 3.546 -10.666 1.00 0.81 C ATOM 837 OD1 ASP A 108 -0.952 2.664 -10.013 1.00 1.33 O ATOM 838 OD2 ASP A 108 -0.847 3.954 -11.734 1.00 1.42 O ATOM 0 H ASP A 108 -0.636 3.868 -8.140 1.00 0.56 H new ATOM 0 HA ASP A 108 1.541 2.378 -9.154 1.00 0.59 H new ATOM 0 HB2 ASP A 108 0.672 5.224 -9.855 1.00 0.72 H new ATOM 0 HB3 ASP A 108 1.637 4.172 -10.871 1.00 0.72 H new ATOM 843 N ILE A 109 2.425 5.241 -7.747 1.00 0.55 N ATOM 844 CA ILE A 109 3.605 5.938 -7.163 1.00 0.54 C ATOM 845 C ILE A 109 4.288 5.018 -6.146 1.00 0.47 C ATOM 846 O ILE A 109 5.494 4.868 -6.145 1.00 0.53 O ATOM 847 CB ILE A 109 3.144 7.223 -6.474 1.00 0.59 C ATOM 848 CG1 ILE A 109 2.281 8.032 -7.445 1.00 0.70 C ATOM 849 CG2 ILE A 109 4.362 8.054 -6.062 1.00 0.63 C ATOM 850 CD1 ILE A 109 1.900 9.368 -6.804 1.00 1.47 C ATOM 0 H ILE A 109 1.543 5.749 -7.677 1.00 0.55 H new ATOM 0 HA ILE A 109 4.313 6.187 -7.953 1.00 0.54 H new ATOM 0 HB ILE A 109 2.564 6.972 -5.586 1.00 0.59 H new ATOM 0 HG12 ILE A 109 2.825 8.205 -8.373 1.00 0.70 H new ATOM 0 HG13 ILE A 109 1.382 7.471 -7.702 1.00 0.70 H new ATOM 0 HG21 ILE A 109 4.029 8.969 -5.571 1.00 0.63 H new ATOM 0 HG22 ILE A 109 4.980 7.477 -5.374 1.00 0.63 H new ATOM 0 HG23 ILE A 109 4.945 8.308 -6.947 1.00 0.63 H new ATOM 0 HD11 ILE A 109 1.286 9.942 -7.497 1.00 1.47 H new ATOM 0 HD12 ILE A 109 1.339 9.185 -5.888 1.00 1.47 H new ATOM 0 HD13 ILE A 109 2.804 9.930 -6.569 1.00 1.47 H new ATOM 862 N LEU A 110 3.529 4.400 -5.283 1.00 0.43 N ATOM 863 CA LEU A 110 4.140 3.491 -4.272 1.00 0.39 C ATOM 864 C LEU A 110 5.084 2.512 -4.978 1.00 0.38 C ATOM 865 O LEU A 110 6.284 2.554 -4.800 1.00 0.38 O ATOM 866 CB LEU A 110 3.024 2.717 -3.551 1.00 0.42 C ATOM 867 CG LEU A 110 3.608 1.810 -2.452 1.00 0.44 C ATOM 868 CD1 LEU A 110 4.146 2.654 -1.286 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.503 0.881 -1.939 1.00 0.66 C ATOM 0 H LEU A 110 2.514 4.485 -5.234 1.00 0.43 H new ATOM 0 HA LEU A 110 4.706 4.071 -3.543 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.315 3.418 -3.111 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.471 2.114 -4.271 1.00 0.42 H new ATOM 0 HG LEU A 110 4.430 1.227 -2.868 1.00 0.44 H new ATOM 0 HD11 LEU A 110 4.555 1.996 -0.519 1.00 0.56 H new ATOM 0 HD12 LEU A 110 4.930 3.319 -1.649 1.00 0.56 H new ATOM 0 HD13 LEU A 110 3.336 3.247 -0.862 1.00 0.56 H new ATOM 0 HD21 LEU A 110 2.905 0.233 -1.160 1.00 0.66 H new ATOM 0 HD22 LEU A 110 1.687 1.477 -1.530 1.00 0.66 H new ATOM 0 HD23 LEU A 110 2.130 0.271 -2.761 1.00 0.66 H new ATOM 881 N ASP A 111 4.551 1.627 -5.775 1.00 0.40 N ATOM 882 CA ASP A 111 5.415 0.639 -6.487 1.00 0.42 C ATOM 883 C ASP A 111 6.597 1.358 -7.151 1.00 0.43 C ATOM 884 O ASP A 111 7.725 0.914 -7.071 1.00 0.42 O ATOM 885 CB ASP A 111 4.588 -0.083 -7.558 1.00 0.50 C ATOM 886 CG ASP A 111 3.705 -1.148 -6.903 1.00 0.59 C ATOM 887 OD1 ASP A 111 3.380 -0.984 -5.739 1.00 1.19 O ATOM 888 OD2 ASP A 111 3.373 -2.108 -7.576 1.00 1.30 O ATOM 0 H ASP A 111 3.552 1.544 -5.965 1.00 0.40 H new ATOM 0 HA ASP A 111 5.797 -0.086 -5.768 1.00 0.42 H new ATOM 0 HB2 ASP A 111 3.969 0.634 -8.097 1.00 0.50 H new ATOM 0 HB3 ASP A 111 5.250 -0.546 -8.290 1.00 0.50 H new ATOM 893 N LEU A 112 6.349 2.452 -7.819 1.00 0.48 N ATOM 894 CA LEU A 112 7.464 3.177 -8.496 1.00 0.52 C ATOM 895 C LEU A 112 8.461 3.698 -7.460 1.00 0.48 C ATOM 896 O LEU A 112 9.641 3.418 -7.532 1.00 0.47 O ATOM 897 CB LEU A 112 6.901 4.357 -9.300 1.00 0.60 C ATOM 898 CG LEU A 112 8.003 4.980 -10.185 1.00 0.70 C ATOM 899 CD1 LEU A 112 8.149 4.192 -11.493 1.00 1.45 C ATOM 900 CD2 LEU A 112 7.635 6.429 -10.519 1.00 1.26 C ATOM 0 H LEU A 112 5.427 2.874 -7.925 1.00 0.48 H new ATOM 0 HA LEU A 112 7.975 2.487 -9.168 1.00 0.52 H new ATOM 0 HB2 LEU A 112 6.073 4.019 -9.923 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.502 5.110 -8.621 1.00 0.60 H new ATOM 0 HG LEU A 112 8.946 4.948 -9.639 1.00 0.70 H new ATOM 0 HD11 LEU A 112 8.929 4.644 -12.105 1.00 1.45 H new ATOM 0 HD12 LEU A 112 8.417 3.160 -11.268 1.00 1.45 H new ATOM 0 HD13 LEU A 112 7.205 4.212 -12.037 1.00 1.45 H new ATOM 0 HD21 LEU A 112 8.413 6.867 -11.143 1.00 1.26 H new ATOM 0 HD22 LEU A 112 6.686 6.449 -11.055 1.00 1.26 H new ATOM 0 HD23 LEU A 112 7.543 7.003 -9.597 1.00 1.26 H new ATOM 912 N TRP A 113 8.009 4.462 -6.502 1.00 0.48 N ATOM 913 CA TRP A 113 8.953 5.000 -5.480 1.00 0.48 C ATOM 914 C TRP A 113 9.838 3.862 -4.961 1.00 0.43 C ATOM 915 O TRP A 113 11.045 3.979 -4.915 1.00 0.45 O ATOM 916 CB TRP A 113 8.165 5.616 -4.322 1.00 0.52 C ATOM 917 CG TRP A 113 9.119 6.130 -3.290 1.00 0.56 C ATOM 918 CD1 TRP A 113 9.699 7.352 -3.305 1.00 0.66 C ATOM 919 CD2 TRP A 113 9.613 5.458 -2.096 1.00 0.55 C ATOM 920 NE1 TRP A 113 10.519 7.472 -2.195 1.00 0.70 N ATOM 921 CE2 TRP A 113 10.497 6.330 -1.420 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.379 4.190 -1.543 1.00 0.51 C ATOM 923 CZ2 TRP A 113 11.129 5.952 -0.233 1.00 0.70 C ATOM 924 CZ3 TRP A 113 10.010 3.804 -0.351 1.00 0.58 C ATOM 925 CH2 TRP A 113 10.885 4.684 0.304 1.00 0.67 C ATOM 0 H TRP A 113 7.034 4.736 -6.383 1.00 0.48 H new ATOM 0 HA TRP A 113 9.579 5.770 -5.931 1.00 0.48 H new ATOM 0 HB2 TRP A 113 7.535 6.427 -4.687 1.00 0.52 H new ATOM 0 HB3 TRP A 113 7.502 4.871 -3.882 1.00 0.52 H new ATOM 0 HD1 TRP A 113 9.548 8.110 -4.059 1.00 0.66 H new ATOM 0 HE1 TRP A 113 11.071 8.302 -1.977 1.00 0.70 H new ATOM 0 HE3 TRP A 113 8.707 3.505 -2.039 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 11.801 6.634 0.266 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 9.821 2.825 0.064 1.00 0.58 H new ATOM 0 HH2 TRP A 113 11.369 4.383 1.221 1.00 0.67 H new ATOM 936 N ILE A 114 9.251 2.757 -4.588 1.00 0.39 N ATOM 937 CA ILE A 114 10.072 1.614 -4.097 1.00 0.37 C ATOM 938 C ILE A 114 11.047 1.200 -5.204 1.00 0.39 C ATOM 939 O ILE A 114 12.111 0.674 -4.945 1.00 0.44 O ATOM 940 CB ILE A 114 9.150 0.441 -3.731 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.156 0.901 -2.664 1.00 0.37 C ATOM 942 CG2 ILE A 114 9.966 -0.732 -3.169 1.00 0.42 C ATOM 943 CD1 ILE A 114 7.209 -0.246 -2.313 1.00 1.00 C ATOM 0 H ILE A 114 8.244 2.597 -4.602 1.00 0.39 H new ATOM 0 HA ILE A 114 10.633 1.905 -3.209 1.00 0.37 H new ATOM 0 HB ILE A 114 8.626 0.114 -4.629 1.00 0.37 H new ATOM 0 HG12 ILE A 114 8.691 1.230 -1.773 1.00 0.37 H new ATOM 0 HG13 ILE A 114 7.587 1.757 -3.028 1.00 0.37 H new ATOM 0 HG21 ILE A 114 9.296 -1.553 -2.916 1.00 0.42 H new ATOM 0 HG22 ILE A 114 10.684 -1.067 -3.917 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.499 -0.409 -2.274 1.00 0.42 H new ATOM 0 HD11 ILE A 114 6.502 0.086 -1.552 1.00 1.00 H new ATOM 0 HD12 ILE A 114 6.664 -0.554 -3.205 1.00 1.00 H new ATOM 0 HD13 ILE A 114 7.785 -1.089 -1.931 1.00 1.00 H new ATOM 955 N TYR A 115 10.693 1.429 -6.439 1.00 0.40 N ATOM 956 CA TYR A 115 11.603 1.047 -7.554 1.00 0.46 C ATOM 957 C TYR A 115 12.883 1.897 -7.489 1.00 0.51 C ATOM 958 O TYR A 115 13.979 1.383 -7.405 1.00 0.54 O ATOM 959 CB TYR A 115 10.883 1.278 -8.892 1.00 0.53 C ATOM 960 CG TYR A 115 11.501 0.414 -9.973 1.00 0.59 C ATOM 961 CD1 TYR A 115 11.329 -0.977 -9.944 1.00 0.56 C ATOM 962 CD2 TYR A 115 12.243 1.005 -11.005 1.00 0.74 C ATOM 963 CE1 TYR A 115 11.896 -1.774 -10.944 1.00 0.65 C ATOM 964 CE2 TYR A 115 12.810 0.207 -12.004 1.00 0.82 C ATOM 965 CZ TYR A 115 12.637 -1.182 -11.974 1.00 0.77 C ATOM 966 OH TYR A 115 13.198 -1.968 -12.960 1.00 0.87 O ATOM 0 H TYR A 115 9.815 1.863 -6.723 1.00 0.40 H new ATOM 0 HA TYR A 115 11.874 -0.005 -7.467 1.00 0.46 H new ATOM 0 HB2 TYR A 115 9.824 1.043 -8.789 1.00 0.53 H new ATOM 0 HB3 TYR A 115 10.950 2.329 -9.173 1.00 0.53 H new ATOM 0 HD1 TYR A 115 10.758 -1.434 -9.149 1.00 0.56 H new ATOM 0 HD2 TYR A 115 12.377 2.076 -11.029 1.00 0.74 H new ATOM 0 HE1 TYR A 115 11.762 -2.845 -10.922 1.00 0.65 H new ATOM 0 HE2 TYR A 115 13.382 0.663 -12.799 1.00 0.82 H new ATOM 0 HH TYR A 115 13.678 -1.400 -13.598 1.00 0.87 H new ATOM 976 N HIS A 116 12.747 3.194 -7.535 1.00 0.58 N ATOM 977 CA HIS A 116 13.949 4.081 -7.486 1.00 0.67 C ATOM 978 C HIS A 116 14.712 3.888 -6.169 1.00 0.67 C ATOM 979 O HIS A 116 15.755 4.478 -5.967 1.00 0.81 O ATOM 980 CB HIS A 116 13.502 5.540 -7.595 1.00 0.79 C ATOM 981 CG HIS A 116 12.987 5.809 -8.981 1.00 1.20 C ATOM 982 ND1 HIS A 116 13.339 5.021 -10.067 1.00 1.99 N ATOM 983 CD2 HIS A 116 12.146 6.775 -9.475 1.00 2.05 C ATOM 984 CE1 HIS A 116 12.715 5.522 -11.150 1.00 2.71 C ATOM 985 NE2 HIS A 116 11.975 6.592 -10.844 1.00 2.74 N ATOM 0 H HIS A 116 11.854 3.681 -7.605 1.00 0.58 H new ATOM 0 HA HIS A 116 14.608 3.823 -8.315 1.00 0.67 H new ATOM 0 HB2 HIS A 116 12.724 5.748 -6.861 1.00 0.79 H new ATOM 0 HB3 HIS A 116 14.337 6.204 -7.371 1.00 0.79 H new ATOM 0 HD2 HIS A 116 11.687 7.558 -8.890 1.00 2.05 H new ATOM 0 HE1 HIS A 116 12.802 5.110 -12.144 1.00 2.71 H new ATOM 0 HE2 HIS A 116 11.407 7.154 -11.478 1.00 2.74 H new ATOM 993 N THR A 117 14.208 3.082 -5.264 1.00 0.63 N ATOM 994 CA THR A 117 14.921 2.876 -3.957 1.00 0.68 C ATOM 995 C THR A 117 15.729 1.576 -3.988 1.00 0.66 C ATOM 996 O THR A 117 16.857 1.549 -4.437 1.00 0.73 O ATOM 997 CB THR A 117 13.900 2.809 -2.815 1.00 0.80 C ATOM 998 OG1 THR A 117 12.968 1.770 -3.070 1.00 0.85 O ATOM 999 CG2 THR A 117 13.162 4.145 -2.694 1.00 0.91 C ATOM 0 H THR A 117 13.339 2.559 -5.371 1.00 0.63 H new ATOM 0 HA THR A 117 15.600 3.714 -3.796 1.00 0.68 H new ATOM 0 HB THR A 117 14.423 2.606 -1.880 1.00 0.80 H new ATOM 0 HG1 THR A 117 13.085 1.443 -3.986 1.00 0.85 H new ATOM 0 HG21 THR A 117 12.439 4.089 -1.881 1.00 0.91 H new ATOM 0 HG22 THR A 117 13.879 4.939 -2.488 1.00 0.91 H new ATOM 0 HG23 THR A 117 12.642 4.359 -3.628 1.00 0.91 H new ATOM 1007 N GLN A 118 15.169 0.497 -3.501 1.00 0.73 N ATOM 1008 CA GLN A 118 15.922 -0.794 -3.493 1.00 0.83 C ATOM 1009 C GLN A 118 15.797 -1.482 -4.856 1.00 0.72 C ATOM 1010 O GLN A 118 16.436 -2.482 -5.117 1.00 0.91 O ATOM 1011 CB GLN A 118 15.372 -1.722 -2.402 1.00 1.06 C ATOM 1012 CG GLN A 118 15.042 -0.921 -1.137 1.00 1.48 C ATOM 1013 CD GLN A 118 13.726 -0.151 -1.312 1.00 2.12 C ATOM 1014 OE1 GLN A 118 12.858 -0.525 -2.219 1.00 2.89 O flip ATOM 1015 NE2 GLN A 118 13.481 0.809 -0.609 1.00 2.13 N flip ATOM 0 H GLN A 118 14.228 0.454 -3.110 1.00 0.73 H new ATOM 0 HA GLN A 118 16.972 -0.583 -3.288 1.00 0.83 H new ATOM 0 HB2 GLN A 118 14.477 -2.229 -2.763 1.00 1.06 H new ATOM 0 HB3 GLN A 118 16.104 -2.495 -2.170 1.00 1.06 H new ATOM 0 HG2 GLN A 118 14.965 -1.595 -0.284 1.00 1.48 H new ATOM 0 HG3 GLN A 118 15.851 -0.224 -0.920 1.00 1.48 H new ATOM 0 HE21 GLN A 118 14.152 1.107 0.100 1.00 2.13 H new ATOM 0 HE22 GLN A 118 12.605 1.317 -0.727 1.00 2.13 H new ATOM 1024 N GLY A 119 14.983 -0.956 -5.728 1.00 0.86 N ATOM 1025 CA GLY A 119 14.830 -1.581 -7.073 1.00 0.85 C ATOM 1026 C GLY A 119 14.033 -2.886 -6.971 1.00 0.65 C ATOM 1027 O GLY A 119 14.284 -3.828 -7.696 1.00 0.67 O ATOM 0 H GLY A 119 14.418 -0.122 -5.569 1.00 0.86 H new ATOM 0 HA2 GLY A 119 14.323 -0.890 -7.746 1.00 0.85 H new ATOM 0 HA3 GLY A 119 15.812 -1.780 -7.502 1.00 0.85 H new ATOM 1031 N TYR A 120 13.068 -2.955 -6.092 1.00 0.54 N ATOM 1032 CA TYR A 120 12.267 -4.207 -5.985 1.00 0.44 C ATOM 1033 C TYR A 120 11.317 -4.286 -7.184 1.00 0.49 C ATOM 1034 O TYR A 120 10.722 -3.303 -7.577 1.00 0.70 O ATOM 1035 CB TYR A 120 11.441 -4.198 -4.685 1.00 0.48 C ATOM 1036 CG TYR A 120 12.291 -4.640 -3.508 1.00 0.52 C ATOM 1037 CD1 TYR A 120 12.870 -5.918 -3.490 1.00 0.58 C ATOM 1038 CD2 TYR A 120 12.493 -3.770 -2.428 1.00 0.60 C ATOM 1039 CE1 TYR A 120 13.649 -6.318 -2.397 1.00 0.71 C ATOM 1040 CE2 TYR A 120 13.271 -4.173 -1.337 1.00 0.71 C ATOM 1041 CZ TYR A 120 13.850 -5.446 -1.322 1.00 0.75 C ATOM 1042 OH TYR A 120 14.618 -5.843 -0.246 1.00 0.91 O ATOM 0 H TYR A 120 12.803 -2.207 -5.451 1.00 0.54 H new ATOM 0 HA TYR A 120 12.937 -5.067 -5.974 1.00 0.44 H new ATOM 0 HB2 TYR A 120 11.051 -3.197 -4.503 1.00 0.48 H new ATOM 0 HB3 TYR A 120 10.582 -4.861 -4.789 1.00 0.48 H new ATOM 0 HD1 TYR A 120 12.715 -6.593 -4.319 1.00 0.58 H new ATOM 0 HD2 TYR A 120 12.047 -2.786 -2.438 1.00 0.60 H new ATOM 0 HE1 TYR A 120 14.095 -7.301 -2.384 1.00 0.71 H new ATOM 0 HE2 TYR A 120 13.424 -3.501 -0.506 1.00 0.71 H new ATOM 0 HH TYR A 120 14.658 -5.118 0.413 1.00 0.91 H new ATOM 1052 N PHE A 121 11.165 -5.446 -7.763 1.00 0.48 N ATOM 1053 CA PHE A 121 10.246 -5.590 -8.932 1.00 0.57 C ATOM 1054 C PHE A 121 8.844 -5.965 -8.409 1.00 0.55 C ATOM 1055 O PHE A 121 8.663 -7.040 -7.874 1.00 0.59 O ATOM 1056 CB PHE A 121 10.757 -6.711 -9.840 1.00 0.68 C ATOM 1057 CG PHE A 121 9.963 -6.719 -11.124 1.00 1.42 C ATOM 1058 CD1 PHE A 121 8.750 -7.415 -11.192 1.00 2.33 C ATOM 1059 CD2 PHE A 121 10.439 -6.032 -12.247 1.00 2.32 C ATOM 1060 CE1 PHE A 121 8.012 -7.423 -12.382 1.00 3.43 C ATOM 1061 CE2 PHE A 121 9.702 -6.039 -13.438 1.00 3.44 C ATOM 1062 CZ PHE A 121 8.488 -6.735 -13.504 1.00 3.85 C ATOM 0 H PHE A 121 11.638 -6.303 -7.477 1.00 0.48 H new ATOM 0 HA PHE A 121 10.203 -4.656 -9.493 1.00 0.57 H new ATOM 0 HB2 PHE A 121 11.816 -6.565 -10.055 1.00 0.68 H new ATOM 0 HB3 PHE A 121 10.664 -7.673 -9.336 1.00 0.68 H new ATOM 0 HD1 PHE A 121 8.383 -7.946 -10.326 1.00 2.33 H new ATOM 0 HD2 PHE A 121 11.375 -5.496 -12.195 1.00 2.32 H new ATOM 0 HE1 PHE A 121 7.076 -7.960 -12.434 1.00 3.43 H new ATOM 0 HE2 PHE A 121 10.069 -5.509 -14.304 1.00 3.44 H new ATOM 0 HZ PHE A 121 7.919 -6.741 -14.422 1.00 3.85 H new ATOM 1072 N PRO A 122 7.857 -5.101 -8.536 1.00 0.64 N ATOM 1073 CA PRO A 122 6.481 -5.394 -8.035 1.00 0.67 C ATOM 1074 C PRO A 122 6.012 -6.820 -8.347 1.00 0.73 C ATOM 1075 O PRO A 122 5.482 -7.101 -9.404 1.00 1.19 O ATOM 1076 CB PRO A 122 5.609 -4.362 -8.755 1.00 0.80 C ATOM 1077 CG PRO A 122 6.510 -3.188 -8.965 1.00 1.05 C ATOM 1078 CD PRO A 122 7.921 -3.761 -9.162 1.00 0.87 C ATOM 0 HA PRO A 122 6.432 -5.330 -6.948 1.00 0.67 H new ATOM 0 HB2 PRO A 122 5.236 -4.750 -9.703 1.00 0.80 H new ATOM 0 HB3 PRO A 122 4.739 -4.092 -8.157 1.00 0.80 H new ATOM 0 HG2 PRO A 122 6.200 -2.610 -9.835 1.00 1.05 H new ATOM 0 HG3 PRO A 122 6.479 -2.515 -8.108 1.00 1.05 H new ATOM 0 HD2 PRO A 122 8.181 -3.827 -10.219 1.00 0.87 H new ATOM 0 HD3 PRO A 122 8.676 -3.134 -8.687 1.00 0.87 H new ATOM 1086 N ASP A 123 6.189 -7.708 -7.415 1.00 0.56 N ATOM 1087 CA ASP A 123 5.748 -9.119 -7.604 1.00 0.64 C ATOM 1088 C ASP A 123 5.502 -9.715 -6.224 1.00 0.58 C ATOM 1089 O ASP A 123 5.467 -10.916 -6.040 1.00 0.65 O ATOM 1090 CB ASP A 123 6.840 -9.914 -8.323 1.00 0.74 C ATOM 1091 CG ASP A 123 8.164 -9.747 -7.575 1.00 0.77 C ATOM 1092 OD1 ASP A 123 8.141 -9.203 -6.483 1.00 1.27 O ATOM 1093 OD2 ASP A 123 9.178 -10.166 -8.108 1.00 1.38 O ATOM 0 H ASP A 123 6.628 -7.516 -6.514 1.00 0.56 H new ATOM 0 HA ASP A 123 4.840 -9.157 -8.206 1.00 0.64 H new ATOM 0 HB2 ASP A 123 6.567 -10.968 -8.371 1.00 0.74 H new ATOM 0 HB3 ASP A 123 6.943 -9.565 -9.350 1.00 0.74 H new ATOM 1098 N TRP A 124 5.334 -8.859 -5.252 1.00 0.53 N ATOM 1099 CA TRP A 124 5.089 -9.306 -3.852 1.00 0.52 C ATOM 1100 C TRP A 124 3.784 -8.697 -3.369 1.00 0.51 C ATOM 1101 O TRP A 124 3.063 -9.263 -2.576 1.00 0.55 O ATOM 1102 CB TRP A 124 6.233 -8.806 -2.974 1.00 0.49 C ATOM 1103 CG TRP A 124 6.341 -7.322 -3.133 1.00 0.43 C ATOM 1104 CD1 TRP A 124 7.056 -6.687 -4.094 1.00 0.44 C ATOM 1105 CD2 TRP A 124 5.716 -6.278 -2.333 1.00 0.42 C ATOM 1106 NE1 TRP A 124 6.912 -5.321 -3.928 1.00 0.42 N ATOM 1107 CE2 TRP A 124 6.095 -5.019 -2.857 1.00 0.41 C ATOM 1108 CE3 TRP A 124 4.867 -6.301 -1.214 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 5.647 -3.826 -2.290 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 4.413 -5.102 -0.641 1.00 0.58 C ATOM 1111 CH2 TRP A 124 4.801 -3.867 -1.178 1.00 0.55 C ATOM 0 H TRP A 124 5.357 -7.847 -5.374 1.00 0.53 H new ATOM 0 HA TRP A 124 5.031 -10.393 -3.803 1.00 0.52 H new ATOM 0 HB2 TRP A 124 6.050 -9.063 -1.931 1.00 0.49 H new ATOM 0 HB3 TRP A 124 7.168 -9.287 -3.261 1.00 0.49 H new ATOM 0 HD1 TRP A 124 7.642 -7.168 -4.863 1.00 0.44 H new ATOM 0 HE1 TRP A 124 7.355 -4.622 -4.524 1.00 0.42 H new ATOM 0 HE3 TRP A 124 4.561 -7.247 -0.792 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 5.952 -2.877 -2.707 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 3.761 -5.132 0.219 1.00 0.58 H new ATOM 0 HH2 TRP A 124 4.447 -2.949 -0.733 1.00 0.55 H new ATOM 1122 N GLN A 125 3.488 -7.541 -3.858 1.00 0.53 N ATOM 1123 CA GLN A 125 2.234 -6.849 -3.455 1.00 0.60 C ATOM 1124 C GLN A 125 1.040 -7.536 -4.114 1.00 0.66 C ATOM 1125 O GLN A 125 1.018 -7.761 -5.308 1.00 0.84 O ATOM 1126 CB GLN A 125 2.294 -5.376 -3.889 1.00 0.69 C ATOM 1127 CG GLN A 125 2.512 -5.271 -5.415 1.00 1.56 C ATOM 1128 CD GLN A 125 1.163 -5.218 -6.143 1.00 2.18 C ATOM 1129 OE1 GLN A 125 0.143 -5.576 -5.589 1.00 2.78 O ATOM 1130 NE2 GLN A 125 1.116 -4.776 -7.371 1.00 2.82 N ATOM 0 H GLN A 125 4.064 -7.032 -4.529 1.00 0.53 H new ATOM 0 HA GLN A 125 2.124 -6.897 -2.372 1.00 0.60 H new ATOM 0 HB2 GLN A 125 1.369 -4.871 -3.612 1.00 0.69 H new ATOM 0 HB3 GLN A 125 3.103 -4.869 -3.364 1.00 0.69 H new ATOM 0 HG2 GLN A 125 3.093 -4.378 -5.646 1.00 1.56 H new ATOM 0 HG3 GLN A 125 3.089 -6.126 -5.766 1.00 1.56 H new ATOM 0 HE21 GLN A 125 1.972 -4.475 -7.838 1.00 2.82 H new ATOM 0 HE22 GLN A 125 0.224 -4.732 -7.863 1.00 2.82 H new ATOM 1139 N ASN A 126 0.047 -7.872 -3.341 1.00 0.64 N ATOM 1140 CA ASN A 126 -1.153 -8.547 -3.907 1.00 0.72 C ATOM 1141 C ASN A 126 -2.329 -8.344 -2.945 1.00 0.69 C ATOM 1142 O ASN A 126 -2.155 -7.873 -1.838 1.00 1.22 O ATOM 1143 CB ASN A 126 -0.858 -10.043 -4.082 1.00 0.84 C ATOM 1144 CG ASN A 126 -0.041 -10.259 -5.363 1.00 0.89 C ATOM 1145 OD1 ASN A 126 1.263 -10.191 -5.315 1.00 1.53 O flip ATOM 1146 ND2 ASN A 126 -0.597 -10.492 -6.418 1.00 0.88 N flip ATOM 0 H ASN A 126 0.015 -7.707 -2.335 1.00 0.64 H new ATOM 0 HA ASN A 126 -1.404 -8.124 -4.880 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -0.308 -10.419 -3.220 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -1.791 -10.604 -4.134 1.00 0.84 H new ATOM 0 HD21 ASN A 126 -1.615 -10.545 -6.457 1.00 0.88 H new ATOM 0 HD22 ASN A 126 -0.046 -10.634 -7.264 1.00 0.88 H new ATOM 1153 N TYR A 127 -3.522 -8.680 -3.356 1.00 0.69 N ATOM 1154 CA TYR A 127 -4.706 -8.479 -2.463 1.00 0.61 C ATOM 1155 C TYR A 127 -5.869 -9.341 -2.958 1.00 0.63 C ATOM 1156 O TYR A 127 -5.938 -9.704 -4.115 1.00 0.75 O ATOM 1157 CB TYR A 127 -5.149 -7.007 -2.511 1.00 0.65 C ATOM 1158 CG TYR A 127 -4.026 -6.091 -2.079 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -3.108 -5.609 -3.022 1.00 0.93 C ATOM 1160 CD2 TYR A 127 -3.907 -5.718 -0.735 1.00 0.98 C ATOM 1161 CE1 TYR A 127 -2.072 -4.758 -2.620 1.00 1.14 C ATOM 1162 CE2 TYR A 127 -2.870 -4.867 -0.333 1.00 1.19 C ATOM 1163 CZ TYR A 127 -1.952 -4.388 -1.275 1.00 1.23 C ATOM 1164 OH TYR A 127 -0.930 -3.549 -0.878 1.00 1.48 O ATOM 0 H TYR A 127 -3.731 -9.084 -4.269 1.00 0.69 H new ATOM 0 HA TYR A 127 -4.431 -8.756 -1.445 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -5.464 -6.751 -3.523 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -6.012 -6.862 -1.862 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -3.200 -5.894 -4.060 1.00 0.93 H new ATOM 0 HD2 TYR A 127 -4.615 -6.087 -0.008 1.00 0.98 H new ATOM 0 HE1 TYR A 127 -1.365 -4.387 -3.347 1.00 1.14 H new ATOM 0 HE2 TYR A 127 -2.778 -4.580 0.704 1.00 1.19 H new ATOM 0 HH TYR A 127 -1.222 -3.020 -0.106 1.00 1.48 H new ATOM 1174 N THR A 128 -6.786 -9.674 -2.086 1.00 0.62 N ATOM 1175 CA THR A 128 -7.943 -10.515 -2.504 1.00 0.68 C ATOM 1176 C THR A 128 -8.825 -9.722 -3.484 1.00 0.75 C ATOM 1177 O THR A 128 -8.921 -8.515 -3.387 1.00 0.97 O ATOM 1178 CB THR A 128 -8.770 -10.889 -1.271 1.00 0.86 C ATOM 1179 OG1 THR A 128 -9.319 -9.710 -0.696 1.00 1.22 O ATOM 1180 CG2 THR A 128 -7.877 -11.590 -0.250 1.00 0.90 C ATOM 0 H THR A 128 -6.782 -9.399 -1.104 1.00 0.62 H new ATOM 0 HA THR A 128 -7.578 -11.420 -2.990 1.00 0.68 H new ATOM 0 HB THR A 128 -9.577 -11.560 -1.564 1.00 0.86 H new ATOM 0 HG1 THR A 128 -9.850 -9.947 0.093 1.00 1.22 H new ATOM 0 HG21 THR A 128 -8.467 -11.856 0.627 1.00 0.90 H new ATOM 0 HG22 THR A 128 -7.458 -12.493 -0.693 1.00 0.90 H new ATOM 0 HG23 THR A 128 -7.068 -10.922 0.045 1.00 0.90 H new ATOM 1249 N ARG A 134 -10.370 -5.090 1.608 1.00 0.51 N ATOM 1250 CA ARG A 134 -9.424 -5.899 0.786 1.00 0.49 C ATOM 1251 C ARG A 134 -8.202 -6.252 1.642 1.00 0.40 C ATOM 1252 O ARG A 134 -7.428 -5.393 2.023 1.00 0.38 O ATOM 1253 CB ARG A 134 -9.008 -5.084 -0.460 1.00 0.58 C ATOM 1254 CG ARG A 134 -8.936 -5.992 -1.696 1.00 1.06 C ATOM 1255 CD ARG A 134 -8.366 -5.200 -2.875 1.00 1.37 C ATOM 1256 NE ARG A 134 -8.991 -3.846 -2.913 1.00 1.86 N ATOM 1257 CZ ARG A 134 -8.451 -2.899 -3.630 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -7.365 -3.137 -4.313 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -8.999 -1.714 -3.662 1.00 3.36 N ATOM 0 HA ARG A 134 -9.899 -6.822 0.452 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -9.724 -4.281 -0.633 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -8.039 -4.615 -0.289 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -8.308 -6.859 -1.488 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -9.929 -6.369 -1.943 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -7.284 -5.110 -2.778 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -8.559 -5.728 -3.809 1.00 1.37 H new ATOM 0 HE ARG A 134 -9.840 -3.661 -2.379 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -6.938 -4.063 -4.286 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -6.943 -2.397 -4.874 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -9.848 -1.530 -3.127 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -8.578 -0.972 -4.222 1.00 3.36 H new ATOM 1273 N TYR A 135 -8.029 -7.510 1.957 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.868 -7.923 2.799 1.00 0.39 C ATOM 1275 C TYR A 135 -5.651 -8.193 1.903 1.00 0.36 C ATOM 1276 O TYR A 135 -5.798 -8.594 0.765 1.00 0.39 O ATOM 1277 CB TYR A 135 -7.221 -9.209 3.555 1.00 0.46 C ATOM 1278 CG TYR A 135 -8.172 -8.897 4.689 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -9.489 -8.512 4.410 1.00 0.72 C ATOM 1280 CD2 TYR A 135 -7.740 -8.999 6.018 1.00 0.66 C ATOM 1281 CE1 TYR A 135 -10.373 -8.227 5.457 1.00 0.91 C ATOM 1282 CE2 TYR A 135 -8.624 -8.714 7.066 1.00 0.85 C ATOM 1283 CZ TYR A 135 -9.940 -8.328 6.785 1.00 0.92 C ATOM 1284 OH TYR A 135 -10.812 -8.049 7.817 1.00 1.17 O ATOM 0 H TYR A 135 -8.644 -8.270 1.666 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.635 -7.126 3.506 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -7.677 -9.928 2.874 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -6.315 -9.671 3.946 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -9.823 -8.435 3.386 1.00 0.72 H new ATOM 0 HD2 TYR A 135 -6.725 -9.298 6.234 1.00 0.66 H new ATOM 0 HE1 TYR A 135 -11.388 -7.929 5.241 1.00 0.91 H new ATOM 0 HE2 TYR A 135 -8.291 -8.792 8.090 1.00 0.85 H new ATOM 0 HH TYR A 135 -10.353 -8.169 8.675 1.00 1.17 H new ATOM 1294 N PRO A 136 -4.453 -8.010 2.411 1.00 0.37 N ATOM 1295 CA PRO A 136 -3.211 -8.277 1.634 1.00 0.38 C ATOM 1296 C PRO A 136 -2.911 -9.776 1.587 1.00 0.37 C ATOM 1297 O PRO A 136 -2.758 -10.416 2.608 1.00 0.38 O ATOM 1298 CB PRO A 136 -2.134 -7.533 2.426 1.00 0.42 C ATOM 1299 CG PRO A 136 -2.610 -7.595 3.840 1.00 0.51 C ATOM 1300 CD PRO A 136 -4.140 -7.527 3.773 1.00 0.44 C ATOM 0 HA PRO A 136 -3.279 -7.953 0.595 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -1.159 -8.006 2.313 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -2.030 -6.503 2.086 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -2.281 -8.515 4.323 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -2.208 -6.767 4.424 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.602 -8.153 4.536 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -4.503 -6.511 3.931 1.00 0.44 H new ATOM 1308 N LEU A 137 -2.830 -10.346 0.420 1.00 0.40 N ATOM 1309 CA LEU A 137 -2.547 -11.804 0.340 1.00 0.43 C ATOM 1310 C LEU A 137 -1.187 -12.084 0.984 1.00 0.41 C ATOM 1311 O LEU A 137 -0.949 -13.153 1.513 1.00 0.38 O ATOM 1312 CB LEU A 137 -2.550 -12.248 -1.130 1.00 0.51 C ATOM 1313 CG LEU A 137 -4.004 -12.369 -1.638 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -4.034 -12.241 -3.166 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -4.602 -13.729 -1.239 1.00 0.92 C ATOM 0 H LEU A 137 -2.946 -9.871 -0.475 1.00 0.40 H new ATOM 0 HA LEU A 137 -3.315 -12.365 0.873 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -2.002 -11.528 -1.738 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -2.039 -13.205 -1.231 1.00 0.51 H new ATOM 0 HG LEU A 137 -4.593 -11.571 -1.187 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -5.062 -12.327 -3.518 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -3.630 -11.271 -3.458 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -3.431 -13.033 -3.609 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -5.627 -13.797 -1.605 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -4.006 -14.531 -1.676 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -4.597 -13.824 -0.153 1.00 0.92 H new ATOM 1327 N THR A 138 -0.297 -11.127 0.964 1.00 0.50 N ATOM 1328 CA THR A 138 1.037 -11.336 1.596 1.00 0.55 C ATOM 1329 C THR A 138 0.863 -11.431 3.116 1.00 0.47 C ATOM 1330 O THR A 138 -0.197 -11.164 3.648 1.00 0.50 O ATOM 1331 CB THR A 138 1.967 -10.160 1.250 1.00 0.73 C ATOM 1332 OG1 THR A 138 1.203 -8.965 1.181 1.00 0.98 O ATOM 1333 CG2 THR A 138 2.646 -10.404 -0.101 1.00 1.04 C ATOM 0 H THR A 138 -0.437 -10.211 0.538 1.00 0.50 H new ATOM 0 HA THR A 138 1.479 -12.259 1.221 1.00 0.55 H new ATOM 0 HB THR A 138 2.731 -10.070 2.022 1.00 0.73 H new ATOM 0 HG1 THR A 138 1.792 -8.213 0.962 1.00 0.98 H new ATOM 0 HG21 THR A 138 3.302 -9.565 -0.335 1.00 1.04 H new ATOM 0 HG22 THR A 138 3.233 -11.321 -0.053 1.00 1.04 H new ATOM 0 HG23 THR A 138 1.887 -10.499 -0.878 1.00 1.04 H new ATOM 1341 N PHE A 139 1.899 -11.814 3.815 1.00 0.51 N ATOM 1342 CA PHE A 139 1.815 -11.938 5.303 1.00 0.49 C ATOM 1343 C PHE A 139 2.451 -10.724 5.975 1.00 0.65 C ATOM 1344 O PHE A 139 1.793 -9.767 6.332 1.00 1.43 O ATOM 1345 CB PHE A 139 2.555 -13.212 5.734 1.00 0.52 C ATOM 1346 CG PHE A 139 2.657 -13.269 7.246 1.00 0.50 C ATOM 1347 CD1 PHE A 139 1.495 -13.278 8.029 1.00 0.67 C ATOM 1348 CD2 PHE A 139 3.915 -13.315 7.864 1.00 0.59 C ATOM 1349 CE1 PHE A 139 1.591 -13.330 9.426 1.00 0.77 C ATOM 1350 CE2 PHE A 139 4.009 -13.368 9.260 1.00 0.62 C ATOM 1351 CZ PHE A 139 2.848 -13.376 10.040 1.00 0.66 C ATOM 0 H PHE A 139 2.808 -12.049 3.416 1.00 0.51 H new ATOM 0 HA PHE A 139 0.769 -11.991 5.603 1.00 0.49 H new ATOM 0 HB2 PHE A 139 2.027 -14.091 5.364 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.552 -13.230 5.294 1.00 0.52 H new ATOM 0 HD1 PHE A 139 0.525 -13.245 7.556 1.00 0.67 H new ATOM 0 HD2 PHE A 139 4.812 -13.310 7.263 1.00 0.59 H new ATOM 0 HE1 PHE A 139 0.695 -13.335 10.029 1.00 0.77 H new ATOM 0 HE2 PHE A 139 4.978 -13.403 9.735 1.00 0.62 H new ATOM 0 HZ PHE A 139 2.921 -13.418 11.117 1.00 0.66 H new ATOM 1361 N GLY A 140 3.727 -10.792 6.161 1.00 0.46 N ATOM 1362 CA GLY A 140 4.482 -9.688 6.831 1.00 0.43 C ATOM 1363 C GLY A 140 3.972 -8.314 6.385 1.00 0.35 C ATOM 1364 O GLY A 140 4.179 -7.323 7.057 1.00 0.32 O ATOM 0 H GLY A 140 4.303 -11.583 5.873 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.383 -9.781 7.913 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.543 -9.777 6.599 1.00 0.43 H new ATOM 1368 N TRP A 141 3.315 -8.237 5.263 1.00 0.34 N ATOM 1369 CA TRP A 141 2.807 -6.913 4.791 1.00 0.29 C ATOM 1370 C TRP A 141 1.602 -6.507 5.638 1.00 0.32 C ATOM 1371 O TRP A 141 0.487 -6.929 5.405 1.00 0.40 O ATOM 1372 CB TRP A 141 2.420 -7.031 3.316 1.00 0.33 C ATOM 1373 CG TRP A 141 2.203 -5.685 2.684 1.00 0.31 C ATOM 1374 CD1 TRP A 141 1.095 -5.354 1.982 1.00 0.35 C ATOM 1375 CD2 TRP A 141 3.076 -4.504 2.647 1.00 0.28 C ATOM 1376 NE1 TRP A 141 1.225 -4.062 1.513 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.421 -3.493 1.894 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.351 -4.200 3.178 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 3.003 -2.244 1.675 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 4.934 -2.940 2.956 1.00 0.31 C ATOM 1381 CH2 TRP A 141 4.262 -1.966 2.206 1.00 0.33 C ATOM 0 H TRP A 141 3.107 -9.027 4.653 1.00 0.34 H new ATOM 0 HA TRP A 141 3.577 -6.148 4.894 1.00 0.29 H new ATOM 0 HB2 TRP A 141 3.204 -7.563 2.777 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.511 -7.625 3.226 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.244 -5.998 1.815 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.520 -3.585 0.951 1.00 0.33 H new ATOM 0 HE3 TRP A 141 4.881 -4.941 3.758 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.481 -1.496 1.097 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.908 -2.721 3.367 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.718 -1.001 2.039 1.00 0.33 H new ATOM 1392 N CYS A 142 1.838 -5.702 6.640 1.00 0.31 N ATOM 1393 CA CYS A 142 0.737 -5.268 7.543 1.00 0.40 C ATOM 1394 C CYS A 142 -0.011 -4.065 6.953 1.00 0.39 C ATOM 1395 O CYS A 142 -0.225 -3.070 7.618 1.00 0.48 O ATOM 1396 CB CYS A 142 1.346 -4.901 8.900 1.00 0.47 C ATOM 1397 SG CYS A 142 2.987 -4.186 8.641 1.00 1.45 S ATOM 0 H CYS A 142 2.757 -5.324 6.872 1.00 0.31 H new ATOM 0 HA CYS A 142 0.018 -6.079 7.660 1.00 0.40 H new ATOM 0 HB2 CYS A 142 0.704 -4.190 9.420 1.00 0.47 H new ATOM 0 HB3 CYS A 142 1.417 -5.787 9.532 1.00 0.47 H new ATOM 0 HG CYS A 142 2.935 -2.901 8.831 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.419 -4.156 5.720 1.00 0.38 N ATOM 1404 CA TYR A 143 -1.171 -3.027 5.075 1.00 0.40 C ATOM 1405 C TYR A 143 -2.515 -3.568 4.560 1.00 0.43 C ATOM 1406 O TYR A 143 -2.559 -4.507 3.790 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.329 -2.471 3.908 1.00 0.55 C ATOM 1408 CG TYR A 143 0.449 -1.246 4.354 1.00 1.43 C ATOM 1409 CD1 TYR A 143 -0.238 -0.072 4.680 1.00 2.16 C ATOM 1410 CD2 TYR A 143 1.847 -1.280 4.427 1.00 2.17 C ATOM 1411 CE1 TYR A 143 0.472 1.067 5.081 1.00 3.14 C ATOM 1412 CE2 TYR A 143 2.557 -0.140 4.826 1.00 3.14 C ATOM 1413 CZ TYR A 143 1.868 1.034 5.152 1.00 3.52 C ATOM 1414 OH TYR A 143 2.568 2.158 5.543 1.00 4.57 O ATOM 0 H TYR A 143 -0.266 -4.967 5.121 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.357 -2.225 5.789 1.00 0.40 H new ATOM 0 HB2 TYR A 143 0.359 -3.237 3.551 1.00 0.55 H new ATOM 0 HB3 TYR A 143 -0.980 -2.212 3.073 1.00 0.55 H new ATOM 0 HD1 TYR A 143 -1.316 -0.044 4.623 1.00 2.16 H new ATOM 0 HD2 TYR A 143 2.378 -2.186 4.175 1.00 2.17 H new ATOM 0 HE1 TYR A 143 -0.060 1.972 5.336 1.00 3.14 H new ATOM 0 HE2 TYR A 143 3.635 -0.167 4.882 1.00 3.14 H new ATOM 0 HH TYR A 143 3.528 1.963 5.539 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.610 -2.982 4.990 1.00 0.39 N ATOM 1425 CA LYS A 144 -4.962 -3.456 4.543 1.00 0.51 C ATOM 1426 C LYS A 144 -5.798 -2.266 4.055 1.00 0.43 C ATOM 1427 O LYS A 144 -5.944 -1.276 4.744 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.678 -4.129 5.726 1.00 0.70 C ATOM 1429 CG LYS A 144 -4.654 -4.876 6.586 1.00 1.21 C ATOM 1430 CD LYS A 144 -5.379 -5.755 7.616 1.00 1.24 C ATOM 1431 CE LYS A 144 -5.991 -4.882 8.718 1.00 1.57 C ATOM 1432 NZ LYS A 144 -6.420 -5.747 9.852 1.00 2.32 N ATOM 0 H LYS A 144 -3.625 -2.192 5.635 1.00 0.39 H new ATOM 0 HA LYS A 144 -4.842 -4.169 3.727 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -6.195 -3.380 6.326 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -6.435 -4.822 5.360 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -4.016 -5.493 5.953 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -4.005 -4.164 7.095 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -6.161 -6.335 7.125 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -4.680 -6.468 8.053 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -5.263 -4.147 9.062 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -6.844 -4.327 8.326 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -6.836 -5.157 10.601 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -7.128 -6.432 9.518 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -5.596 -6.257 10.230 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.362 -2.362 2.882 1.00 0.40 N ATOM 1447 CA LEU A 145 -7.204 -1.245 2.370 1.00 0.37 C ATOM 1448 C LEU A 145 -8.563 -1.286 3.078 1.00 0.38 C ATOM 1449 O LEU A 145 -9.121 -2.346 3.300 1.00 0.41 O ATOM 1450 CB LEU A 145 -7.399 -1.398 0.857 1.00 0.42 C ATOM 1451 CG LEU A 145 -6.051 -1.283 0.127 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -6.282 -1.468 -1.377 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -5.412 0.098 0.384 1.00 0.52 C ATOM 0 H LEU A 145 -6.276 -3.164 2.258 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.716 -0.291 2.567 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -7.856 -2.363 0.639 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -8.083 -0.631 0.493 1.00 0.42 H new ATOM 0 HG LEU A 145 -5.376 -2.053 0.501 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -5.331 -1.388 -1.904 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -6.717 -2.451 -1.560 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -6.963 -0.697 -1.738 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -4.459 0.161 -0.141 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -6.078 0.880 0.021 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -5.247 0.229 1.453 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.095 -0.143 3.443 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.410 -0.113 4.159 1.00 0.50 C ATOM 1467 C VAL A 146 -11.028 1.298 4.015 1.00 0.59 C ATOM 1468 O VAL A 146 -10.371 2.280 4.301 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.160 -0.385 5.660 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -11.438 -0.132 6.469 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -9.716 -1.839 5.870 1.00 0.56 C ATOM 0 H VAL A 146 -8.674 0.771 3.276 1.00 0.43 H new ATOM 0 HA VAL A 146 -11.081 -0.863 3.740 1.00 0.50 H new ATOM 0 HB VAL A 146 -9.375 0.290 6.001 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -11.246 -0.328 7.524 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -11.749 0.905 6.343 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.229 -0.793 6.116 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -9.543 -2.017 6.931 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -10.494 -2.513 5.511 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -8.795 -2.022 5.317 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.279 1.421 3.596 1.00 0.68 N ATOM 1482 CA PRO A 147 -12.943 2.752 3.453 1.00 0.81 C ATOM 1483 C PRO A 147 -13.507 3.254 4.789 1.00 0.91 C ATOM 1484 O PRO A 147 -14.186 2.533 5.495 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.079 2.467 2.471 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.482 1.061 2.774 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.199 0.331 3.201 1.00 0.75 C ATOM 0 HA PRO A 147 -12.254 3.527 3.118 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -14.910 3.158 2.612 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -13.748 2.572 1.438 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.229 1.032 3.567 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -14.927 0.586 1.900 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.386 -0.353 4.029 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -12.787 -0.262 2.385 1.00 0.75 H new ATOM 1780 N LEU A 181 -9.929 4.151 -1.175 1.00 0.58 N ATOM 1781 CA LEU A 181 -9.648 3.380 0.079 1.00 0.52 C ATOM 1782 C LEU A 181 -8.364 3.892 0.726 1.00 0.47 C ATOM 1783 O LEU A 181 -7.441 4.294 0.052 1.00 0.51 O ATOM 1784 CB LEU A 181 -9.461 1.902 -0.271 1.00 0.60 C ATOM 1785 CG LEU A 181 -10.755 1.332 -0.896 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -10.412 0.184 -1.853 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -11.678 0.804 0.211 1.00 0.87 C ATOM 0 HA LEU A 181 -10.483 3.505 0.769 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -8.631 1.788 -0.969 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -9.203 1.339 0.626 1.00 0.60 H new ATOM 0 HG LEU A 181 -11.259 2.126 -1.446 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -11.329 -0.212 -2.289 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -9.763 0.554 -2.647 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -9.900 -0.607 -1.304 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -12.588 0.403 -0.235 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -11.168 0.016 0.765 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -11.934 1.617 0.890 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.294 3.868 2.034 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.061 4.342 2.737 1.00 0.45 C ATOM 1801 C GLU A 182 -6.254 3.152 3.246 1.00 0.42 C ATOM 1802 O GLU A 182 -6.791 2.142 3.657 1.00 0.43 O ATOM 1803 CB GLU A 182 -7.455 5.241 3.914 1.00 0.49 C ATOM 1804 CG GLU A 182 -8.469 4.521 4.805 1.00 0.56 C ATOM 1805 CD GLU A 182 -8.636 5.297 6.114 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -8.551 6.513 6.072 1.00 1.62 O ATOM 1807 OE2 GLU A 182 -8.844 4.661 7.134 1.00 1.49 O ATOM 0 H GLU A 182 -9.040 3.540 2.647 1.00 0.45 H new ATOM 0 HA GLU A 182 -6.448 4.908 2.036 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -6.570 5.503 4.494 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -7.881 6.173 3.544 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -9.428 4.440 4.292 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -8.132 3.505 5.012 1.00 0.56 H new ATOM 1814 N TRP A 183 -4.957 3.279 3.219 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.074 2.181 3.693 1.00 0.38 C ATOM 1816 C TRP A 183 -4.152 2.115 5.224 1.00 0.37 C ATOM 1817 O TRP A 183 -3.734 3.024 5.913 1.00 0.43 O ATOM 1818 CB TRP A 183 -2.630 2.493 3.259 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.349 1.942 1.893 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -2.037 0.654 1.621 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.330 2.643 0.616 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -1.826 0.521 0.259 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -1.995 1.722 -0.404 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.568 3.978 0.250 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -1.898 2.116 -1.743 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -2.473 4.378 -1.093 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -2.137 3.449 -2.086 1.00 0.41 C ATOM 0 H TRP A 183 -4.466 4.108 2.884 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.386 1.226 3.271 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -2.471 3.571 3.260 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -1.930 2.067 3.978 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -1.964 -0.141 2.348 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -1.576 -0.356 -0.199 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -2.826 4.703 1.008 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -1.640 1.395 -2.505 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -2.660 5.407 -1.361 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -2.063 3.763 -3.117 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.684 1.047 5.763 1.00 0.35 N ATOM 1839 CA ARG A 184 -4.787 0.930 7.252 1.00 0.35 C ATOM 1840 C ARG A 184 -3.567 0.168 7.783 1.00 0.31 C ATOM 1841 O ARG A 184 -3.521 -1.045 7.767 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.085 0.173 7.607 1.00 0.40 C ATOM 1843 CG ARG A 184 -6.615 0.629 8.973 1.00 0.98 C ATOM 1844 CD ARG A 184 -5.622 0.243 10.070 1.00 1.51 C ATOM 1845 NE ARG A 184 -6.259 0.443 11.402 1.00 1.57 N ATOM 1846 CZ ARG A 184 -5.736 -0.101 12.467 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -4.662 -0.834 12.365 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -6.288 0.089 13.633 1.00 2.61 N ATOM 0 H ARG A 184 -5.051 0.252 5.239 1.00 0.35 H new ATOM 0 HA ARG A 184 -4.813 1.920 7.708 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -6.839 0.351 6.840 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -5.894 -0.900 7.624 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -6.768 1.708 8.972 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -7.584 0.170 9.169 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -5.318 -0.797 9.952 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -4.720 0.850 9.990 1.00 1.51 H new ATOM 0 HE ARG A 184 -7.106 1.006 11.482 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -4.230 -0.982 11.453 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -4.254 -1.259 13.197 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -7.128 0.662 13.712 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -5.880 -0.336 14.466 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.577 0.881 8.244 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.346 0.216 8.771 1.00 0.31 C ATOM 1864 C PHE A 185 -1.656 -0.514 10.085 1.00 0.31 C ATOM 1865 O PHE A 185 -2.311 0.014 10.961 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.278 1.282 9.019 1.00 0.40 C ATOM 1867 CG PHE A 185 0.984 0.644 9.548 1.00 0.44 C ATOM 1868 CD1 PHE A 185 1.937 0.142 8.657 1.00 0.62 C ATOM 1869 CD2 PHE A 185 1.211 0.569 10.929 1.00 0.65 C ATOM 1870 CE1 PHE A 185 3.116 -0.433 9.141 1.00 0.74 C ATOM 1871 CE2 PHE A 185 2.389 -0.012 11.414 1.00 0.75 C ATOM 1872 CZ PHE A 185 3.343 -0.512 10.518 1.00 0.71 C ATOM 0 H PHE A 185 -2.565 1.900 8.280 1.00 0.31 H new ATOM 0 HA PHE A 185 -0.989 -0.512 8.043 1.00 0.31 H new ATOM 0 HB2 PHE A 185 -0.064 1.815 8.093 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -0.648 2.019 9.732 1.00 0.40 H new ATOM 0 HD1 PHE A 185 1.762 0.198 7.593 1.00 0.62 H new ATOM 0 HD2 PHE A 185 0.477 0.959 11.619 1.00 0.65 H new ATOM 0 HE1 PHE A 185 3.852 -0.817 8.450 1.00 0.74 H new ATOM 0 HE2 PHE A 185 2.562 -0.075 12.478 1.00 0.75 H new ATOM 0 HZ PHE A 185 4.253 -0.958 10.891 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.188 -1.728 10.223 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.446 -2.504 11.466 1.00 0.32 C ATOM 1884 C ASP A 186 -0.337 -3.552 11.647 1.00 0.30 C ATOM 1885 O ASP A 186 -0.541 -4.729 11.423 1.00 0.32 O ATOM 1886 CB ASP A 186 -2.794 -3.202 11.317 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.319 -3.622 12.692 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -3.249 -2.814 13.603 1.00 1.16 O ATOM 1889 OD2 ASP A 186 -3.780 -4.745 12.810 1.00 1.23 O ATOM 0 H ASP A 186 -0.634 -2.216 9.520 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.458 -1.846 12.335 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.508 -2.534 10.834 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.691 -4.077 10.675 1.00 0.37 H new ATOM 1894 N SER A 187 0.838 -3.128 12.032 1.00 0.33 N ATOM 1895 CA SER A 187 1.971 -4.089 12.210 1.00 0.34 C ATOM 1896 C SER A 187 1.515 -5.314 13.012 1.00 0.35 C ATOM 1897 O SER A 187 2.223 -6.297 13.105 1.00 0.37 O ATOM 1898 CB SER A 187 3.109 -3.398 12.959 1.00 0.40 C ATOM 1899 OG SER A 187 2.621 -2.899 14.196 1.00 1.32 O ATOM 0 H SER A 187 1.064 -2.154 12.232 1.00 0.33 H new ATOM 0 HA SER A 187 2.311 -4.414 11.227 1.00 0.34 H new ATOM 0 HB2 SER A 187 3.924 -4.100 13.133 1.00 0.40 H new ATOM 0 HB3 SER A 187 3.513 -2.583 12.359 1.00 0.40 H new ATOM 0 HG SER A 187 3.349 -2.456 14.680 1.00 1.32 H new ATOM 1905 N ARG A 188 0.342 -5.276 13.588 1.00 0.40 N ATOM 1906 CA ARG A 188 -0.131 -6.456 14.367 1.00 0.46 C ATOM 1907 C ARG A 188 -0.199 -7.650 13.414 1.00 0.42 C ATOM 1908 O ARG A 188 -0.073 -8.793 13.809 1.00 0.43 O ATOM 1909 CB ARG A 188 -1.533 -6.170 14.934 1.00 0.58 C ATOM 1910 CG ARG A 188 -1.425 -5.426 16.268 1.00 1.40 C ATOM 1911 CD ARG A 188 -2.834 -5.161 16.810 1.00 1.75 C ATOM 1912 NE ARG A 188 -2.789 -4.091 17.862 1.00 2.37 N ATOM 1913 CZ ARG A 188 -2.026 -4.201 18.916 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -1.409 -5.320 19.173 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -1.926 -3.201 19.750 1.00 3.87 N ATOM 0 H ARG A 188 -0.303 -4.487 13.553 1.00 0.40 H new ATOM 0 HA ARG A 188 0.548 -6.665 15.194 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -2.106 -5.575 14.223 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -2.074 -7.106 15.074 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -0.852 -6.017 16.983 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -0.891 -4.485 16.132 1.00 1.40 H new ATOM 0 HD2 ARG A 188 -3.493 -4.856 15.997 1.00 1.75 H new ATOM 0 HD3 ARG A 188 -3.249 -6.077 17.230 1.00 1.75 H new ATOM 0 HE ARG A 188 -3.368 -3.259 17.751 1.00 2.37 H new ATOM 0 HH11 ARG A 188 -1.520 -6.119 18.548 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -0.815 -5.397 19.999 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -2.443 -2.339 19.577 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -1.331 -3.282 20.575 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.382 -7.376 12.155 1.00 0.43 N ATOM 1930 CA LEU A 189 -0.447 -8.462 11.140 1.00 0.46 C ATOM 1931 C LEU A 189 0.910 -9.185 11.121 1.00 0.41 C ATOM 1932 O LEU A 189 1.105 -10.153 10.414 1.00 0.46 O ATOM 1933 CB LEU A 189 -0.742 -7.818 9.766 1.00 0.57 C ATOM 1934 CG LEU A 189 -1.719 -8.656 8.918 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -1.076 -10.001 8.594 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -3.068 -8.863 9.645 1.00 1.78 C ATOM 0 H LEU A 189 -0.491 -6.433 11.781 1.00 0.43 H new ATOM 0 HA LEU A 189 -1.231 -9.183 11.373 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -1.159 -6.822 9.917 1.00 0.57 H new ATOM 0 HB3 LEU A 189 0.193 -7.692 9.219 1.00 0.57 H new ATOM 0 HG LEU A 189 -1.928 -8.117 7.994 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -1.763 -10.598 7.994 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -0.154 -9.838 8.036 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -0.851 -10.529 9.520 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -3.732 -9.458 9.018 1.00 1.78 H new ATOM 0 HD22 LEU A 189 -2.897 -9.383 10.588 1.00 1.78 H new ATOM 0 HD23 LEU A 189 -3.527 -7.894 9.843 1.00 1.78 H new ATOM 1948 N ALA A 190 1.847 -8.710 11.898 1.00 0.37 N ATOM 1949 CA ALA A 190 3.189 -9.355 11.929 1.00 0.42 C ATOM 1950 C ALA A 190 3.092 -10.666 12.708 1.00 0.44 C ATOM 1951 O ALA A 190 4.033 -11.432 12.775 1.00 0.53 O ATOM 1952 CB ALA A 190 4.182 -8.424 12.627 1.00 0.47 C ATOM 0 H ALA A 190 1.739 -7.903 12.512 1.00 0.37 H new ATOM 0 HA ALA A 190 3.528 -9.553 10.912 1.00 0.42 H new ATOM 0 HB1 ALA A 190 5.165 -8.893 12.651 1.00 0.47 H new ATOM 0 HB2 ALA A 190 4.243 -7.482 12.082 1.00 0.47 H new ATOM 0 HB3 ALA A 190 3.846 -8.232 13.646 1.00 0.47 H new ATOM 1958 N PHE A 191 1.952 -10.928 13.294 1.00 0.42 N ATOM 1959 CA PHE A 191 1.770 -12.193 14.074 1.00 0.51 C ATOM 1960 C PHE A 191 0.387 -12.775 13.776 1.00 0.56 C ATOM 1961 O PHE A 191 0.246 -13.940 13.462 1.00 0.96 O ATOM 1962 CB PHE A 191 1.887 -11.891 15.570 1.00 0.58 C ATOM 1963 CG PHE A 191 3.079 -10.988 15.808 1.00 1.14 C ATOM 1964 CD1 PHE A 191 4.371 -11.454 15.532 1.00 1.81 C ATOM 1965 CD2 PHE A 191 2.894 -9.689 16.300 1.00 1.98 C ATOM 1966 CE1 PHE A 191 5.475 -10.623 15.749 1.00 2.75 C ATOM 1967 CE2 PHE A 191 4.000 -8.858 16.517 1.00 2.87 C ATOM 1968 CZ PHE A 191 5.291 -9.325 16.241 1.00 3.15 C ATOM 0 H PHE A 191 1.135 -10.318 13.267 1.00 0.42 H new ATOM 0 HA PHE A 191 2.538 -12.913 13.790 1.00 0.51 H new ATOM 0 HB2 PHE A 191 0.976 -11.411 15.928 1.00 0.58 H new ATOM 0 HB3 PHE A 191 2.001 -12.818 16.132 1.00 0.58 H new ATOM 0 HD1 PHE A 191 4.515 -12.455 15.152 1.00 1.81 H new ATOM 0 HD2 PHE A 191 1.898 -9.329 16.512 1.00 1.98 H new ATOM 0 HE1 PHE A 191 6.471 -10.983 15.537 1.00 2.75 H new ATOM 0 HE2 PHE A 191 3.857 -7.857 16.897 1.00 2.87 H new ATOM 0 HZ PHE A 191 6.144 -8.684 16.408 1.00 3.15 H new ATOM 1978 N HIS A 192 -0.636 -11.972 13.872 1.00 0.64 N ATOM 1979 CA HIS A 192 -2.012 -12.473 13.598 1.00 0.72 C ATOM 1980 C HIS A 192 -2.196 -12.668 12.089 1.00 0.67 C ATOM 1981 O HIS A 192 -2.503 -11.740 11.370 1.00 1.26 O ATOM 1982 CB HIS A 192 -3.026 -11.447 14.108 1.00 1.01 C ATOM 1983 CG HIS A 192 -4.418 -12.008 14.012 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -4.889 -13.250 13.663 1.00 2.46 N flip ATOM 1985 CD2 HIS A 192 -5.538 -11.245 14.297 1.00 2.48 C flip ATOM 1986 CE1 HIS A 192 -6.279 -13.259 13.732 1.00 3.29 C flip ATOM 1987 NE2 HIS A 192 -6.618 -12.027 14.118 1.00 3.35 N flip ATOM 0 H HIS A 192 -0.578 -10.987 14.129 1.00 0.64 H new ATOM 0 HA HIS A 192 -2.165 -13.426 14.104 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -2.801 -11.184 15.142 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -2.953 -10.530 13.523 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -5.543 -10.210 14.607 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -6.941 -14.085 13.519 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -7.579 -11.716 14.260 1.00 3.35 H new ATOM 1995 N HIS A 193 -2.013 -13.866 11.601 1.00 0.77 N ATOM 1996 CA HIS A 193 -2.182 -14.107 10.139 1.00 0.85 C ATOM 1997 C HIS A 193 -3.671 -14.046 9.780 1.00 0.74 C ATOM 1998 O HIS A 193 -4.275 -15.037 9.422 1.00 0.78 O ATOM 1999 CB HIS A 193 -1.625 -15.487 9.779 1.00 1.28 C ATOM 2000 CG HIS A 193 -2.368 -16.548 10.543 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -2.069 -16.855 11.861 1.00 2.84 N ATOM 2002 CD2 HIS A 193 -3.398 -17.384 10.188 1.00 2.99 C ATOM 2003 CE1 HIS A 193 -2.901 -17.840 12.247 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -3.732 -18.200 11.265 1.00 3.87 N ATOM 0 H HIS A 193 -1.755 -14.686 12.150 1.00 0.77 H new ATOM 0 HA HIS A 193 -1.642 -13.342 9.581 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -1.723 -15.661 8.707 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -0.562 -15.533 10.014 1.00 1.28 H new ATOM 0 HD2 HIS A 193 -3.876 -17.405 9.220 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -2.897 -18.285 13.231 1.00 3.75 H new ATOM 0 HE2 HIS A 193 -4.456 -18.918 11.297 1.00 3.87 H new ATOM 2012 N MET A 194 -4.265 -12.887 9.877 1.00 0.73 N ATOM 2013 CA MET A 194 -5.715 -12.756 9.549 1.00 0.79 C ATOM 2014 C MET A 194 -5.929 -12.958 8.046 1.00 0.75 C ATOM 2015 O MET A 194 -6.805 -13.688 7.626 1.00 0.90 O ATOM 2016 CB MET A 194 -6.196 -11.357 9.948 1.00 0.91 C ATOM 2017 CG MET A 194 -7.725 -11.332 10.005 1.00 1.47 C ATOM 2018 SD MET A 194 -8.289 -12.199 11.491 1.00 2.35 S ATOM 2019 CE MET A 194 -10.011 -11.645 11.437 1.00 2.94 C ATOM 0 H MET A 194 -3.808 -12.023 10.170 1.00 0.73 H new ATOM 0 HA MET A 194 -6.279 -13.512 10.095 1.00 0.79 H new ATOM 0 HB2 MET A 194 -5.782 -11.083 10.918 1.00 0.91 H new ATOM 0 HB3 MET A 194 -5.838 -10.620 9.229 1.00 0.91 H new ATOM 0 HG2 MET A 194 -8.082 -10.302 10.014 1.00 1.47 H new ATOM 0 HG3 MET A 194 -8.140 -11.805 9.115 1.00 1.47 H new ATOM 0 HE1 MET A 194 -10.556 -12.069 12.280 1.00 2.94 H new ATOM 0 HE2 MET A 194 -10.045 -10.557 11.493 1.00 2.94 H new ATOM 0 HE3 MET A 194 -10.470 -11.975 10.505 1.00 2.94 H new ATOM 2029 N ALA A 195 -5.142 -12.308 7.234 1.00 0.66 N ATOM 2030 CA ALA A 195 -5.304 -12.451 5.759 1.00 0.76 C ATOM 2031 C ALA A 195 -5.310 -13.933 5.376 1.00 0.90 C ATOM 2032 O ALA A 195 -6.151 -14.384 4.624 1.00 1.11 O ATOM 2033 CB ALA A 195 -4.147 -11.748 5.051 1.00 0.82 C ATOM 0 H ALA A 195 -4.392 -11.683 7.529 1.00 0.66 H new ATOM 0 HA ALA A 195 -6.249 -11.999 5.457 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -4.264 -11.852 3.972 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -4.147 -10.691 5.316 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -3.204 -12.199 5.359 1.00 0.82 H new