USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=23 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 89 HIS : no HE2:sc= -2.09 K(o=-2.1,f=-3.7!) USER MOD Set 1.2: A 187 SER OG : rot 170:sc= 0.00639 USER MOD Single : A 79 MET CE :methyl -128:sc=-0.00772 (180deg=-0.0405) USER MOD Single : A 80 THR OG1 : rot 180:sc= -3.34! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -135:sc= -0.0487 (180deg=-0.502) USER MOD Single : A 88 SER OG : rot -80:sc= 0.704 USER MOD Single : A 92 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0345) USER MOD Single : A 94 LYS NZ :NH3+ 151:sc= -0.115 (180deg=-0.793) USER MOD Single : A 102 HIS : no HE2:sc= -2.35 K(o=-2.3,f=-6.2!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -2.89! C(o=-2.9!,f=-3.9!) USER MOD Single : A 107 GLN :FLIP amide:sc= -2.22! C(o=-5.6!,f=-2.2!) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -1.63! C(o=-1.6!,f=-5.3!) USER MOD Single : A 117 THR OG1 : rot -107:sc= 1.22 USER MOD Single : A 118 GLN : amide:sc= -2.92 K(o=-2.9,f=-7.4!) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -6.59! C(o=-6.6!,f=-20!) USER MOD Single : A 126 ASN :FLIP amide:sc= -2.8 F(o=-5!,f=-2.8) USER MOD Single : A 127 TYR OH : rot 30:sc= 0 USER MOD Single : A 128 THR OG1 : rot 180:sc= 0.00355 USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot -163:sc= 1.37 USER MOD Single : A 142 CYS SG : rot 55:sc= -7.49! USER MOD Single : A 143 TYR OH : rot 180:sc= -0.295 USER MOD Single : A 144 LYS NZ :NH3+ 171:sc= -0.702 (180deg=-0.962) USER MOD Single : A 192 HIS : no HD1:sc= -0.15 K(o=-0.15,f=-0.75) USER MOD Single : A 193 HIS : no HD1:sc= -0.464 K(o=-0.46,f=-1.4) USER MOD Single : A 194 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 18.908 -1.031 -8.936 1.00 1.04 N ATOM 275 CA VAL A 74 20.033 -1.708 -8.223 1.00 0.93 C ATOM 276 C VAL A 74 19.806 -3.221 -8.360 1.00 0.86 C ATOM 277 O VAL A 74 18.686 -3.641 -8.571 1.00 0.89 O ATOM 278 CB VAL A 74 20.004 -1.291 -6.737 1.00 1.09 C ATOM 279 CG1 VAL A 74 19.979 0.244 -6.617 1.00 1.17 C ATOM 280 CG2 VAL A 74 18.756 -1.875 -6.065 1.00 1.38 C ATOM 0 HA VAL A 74 21.001 -1.432 -8.640 1.00 0.93 H new ATOM 0 HB VAL A 74 20.899 -1.672 -6.245 1.00 1.09 H new ATOM 0 HG11 VAL A 74 19.959 0.526 -5.564 1.00 1.17 H new ATOM 0 HG12 VAL A 74 20.870 0.660 -7.087 1.00 1.17 H new ATOM 0 HG13 VAL A 74 19.091 0.633 -7.114 1.00 1.17 H new ATOM 0 HG21 VAL A 74 18.736 -1.580 -5.016 1.00 1.38 H new ATOM 0 HG22 VAL A 74 17.864 -1.498 -6.565 1.00 1.38 H new ATOM 0 HG23 VAL A 74 18.780 -2.962 -6.136 1.00 1.38 H new ATOM 290 N PRO A 75 20.833 -4.042 -8.255 1.00 0.93 N ATOM 291 CA PRO A 75 20.680 -5.521 -8.380 1.00 1.00 C ATOM 292 C PRO A 75 19.339 -6.009 -7.817 1.00 0.88 C ATOM 293 O PRO A 75 19.020 -5.792 -6.664 1.00 0.84 O ATOM 294 CB PRO A 75 21.860 -6.046 -7.572 1.00 1.18 C ATOM 295 CG PRO A 75 22.946 -5.039 -7.809 1.00 1.37 C ATOM 296 CD PRO A 75 22.246 -3.678 -8.015 1.00 1.13 C ATOM 0 HA PRO A 75 20.677 -5.867 -9.414 1.00 1.00 H new ATOM 0 HB2 PRO A 75 21.614 -6.124 -6.513 1.00 1.18 H new ATOM 0 HB3 PRO A 75 22.159 -7.040 -7.904 1.00 1.18 H new ATOM 0 HG2 PRO A 75 23.630 -4.999 -6.961 1.00 1.37 H new ATOM 0 HG3 PRO A 75 23.539 -5.307 -8.684 1.00 1.37 H new ATOM 0 HD2 PRO A 75 22.351 -3.037 -7.139 1.00 1.13 H new ATOM 0 HD3 PRO A 75 22.668 -3.135 -8.860 1.00 1.13 H new ATOM 304 N LEU A 76 18.539 -6.635 -8.639 1.00 0.86 N ATOM 305 CA LEU A 76 17.199 -7.101 -8.174 1.00 0.77 C ATOM 306 C LEU A 76 17.344 -8.111 -7.035 1.00 0.77 C ATOM 307 O LEU A 76 17.547 -9.289 -7.254 1.00 0.85 O ATOM 308 CB LEU A 76 16.454 -7.768 -9.335 1.00 0.84 C ATOM 309 CG LEU A 76 16.140 -6.737 -10.429 1.00 0.87 C ATOM 310 CD1 LEU A 76 15.493 -7.459 -11.618 1.00 1.01 C ATOM 311 CD2 LEU A 76 15.179 -5.654 -9.888 1.00 0.76 C ATOM 0 H LEU A 76 18.756 -6.844 -9.614 1.00 0.86 H new ATOM 0 HA LEU A 76 16.640 -6.236 -7.816 1.00 0.77 H new ATOM 0 HB2 LEU A 76 17.059 -8.575 -9.749 1.00 0.84 H new ATOM 0 HB3 LEU A 76 15.529 -8.217 -8.973 1.00 0.84 H new ATOM 0 HG LEU A 76 17.063 -6.251 -10.745 1.00 0.87 H new ATOM 0 HD11 LEU A 76 15.265 -6.737 -12.402 1.00 1.01 H new ATOM 0 HD12 LEU A 76 16.181 -8.210 -12.006 1.00 1.01 H new ATOM 0 HD13 LEU A 76 14.572 -7.943 -11.292 1.00 1.01 H new ATOM 0 HD21 LEU A 76 14.966 -4.931 -10.675 1.00 0.76 H new ATOM 0 HD22 LEU A 76 14.249 -6.122 -9.564 1.00 0.76 H new ATOM 0 HD23 LEU A 76 15.643 -5.145 -9.043 1.00 0.76 H new ATOM 323 N ARG A 77 17.209 -7.660 -5.820 1.00 0.74 N ATOM 324 CA ARG A 77 17.304 -8.585 -4.656 1.00 0.79 C ATOM 325 C ARG A 77 15.932 -9.249 -4.454 1.00 0.71 C ATOM 326 O ARG A 77 14.921 -8.701 -4.843 1.00 0.73 O ATOM 327 CB ARG A 77 17.677 -7.771 -3.409 1.00 0.85 C ATOM 328 CG ARG A 77 19.190 -7.539 -3.366 1.00 1.19 C ATOM 329 CD ARG A 77 19.538 -6.715 -2.127 1.00 1.52 C ATOM 330 NE ARG A 77 21.017 -6.563 -2.030 1.00 2.13 N ATOM 331 CZ ARG A 77 21.532 -5.671 -1.228 1.00 2.66 C ATOM 332 NH1 ARG A 77 20.749 -4.919 -0.502 1.00 2.73 N ATOM 333 NH2 ARG A 77 22.827 -5.534 -1.148 1.00 3.61 N ATOM 0 H ARG A 77 17.036 -6.684 -5.581 1.00 0.74 H new ATOM 0 HA ARG A 77 18.062 -9.349 -4.829 1.00 0.79 H new ATOM 0 HB2 ARG A 77 17.155 -6.814 -3.420 1.00 0.85 H new ATOM 0 HB3 ARG A 77 17.356 -8.299 -2.511 1.00 0.85 H new ATOM 0 HG2 ARG A 77 19.716 -8.494 -3.342 1.00 1.19 H new ATOM 0 HG3 ARG A 77 19.516 -7.019 -4.267 1.00 1.19 H new ATOM 0 HD2 ARG A 77 19.064 -5.735 -2.184 1.00 1.52 H new ATOM 0 HD3 ARG A 77 19.153 -7.204 -1.232 1.00 1.52 H new ATOM 0 HE ARG A 77 21.628 -7.157 -2.591 1.00 2.13 H new ATOM 0 HH11 ARG A 77 19.737 -5.029 -0.562 1.00 2.73 H new ATOM 0 HH12 ARG A 77 21.150 -4.222 0.125 1.00 2.73 H new ATOM 0 HH21 ARG A 77 23.438 -6.124 -1.712 1.00 3.61 H new ATOM 0 HH22 ARG A 77 23.228 -4.837 -0.521 1.00 3.61 H new ATOM 347 N PRO A 78 15.886 -10.409 -3.844 1.00 0.79 N ATOM 348 CA PRO A 78 14.597 -11.119 -3.589 1.00 0.76 C ATOM 349 C PRO A 78 13.818 -10.480 -2.429 1.00 0.67 C ATOM 350 O PRO A 78 14.366 -10.207 -1.381 1.00 0.69 O ATOM 351 CB PRO A 78 15.043 -12.540 -3.230 1.00 0.86 C ATOM 352 CG PRO A 78 16.390 -12.362 -2.608 1.00 1.18 C ATOM 353 CD PRO A 78 17.039 -11.178 -3.335 1.00 1.06 C ATOM 0 HA PRO A 78 13.921 -11.081 -4.444 1.00 0.76 H new ATOM 0 HB2 PRO A 78 14.345 -13.012 -2.538 1.00 0.86 H new ATOM 0 HB3 PRO A 78 15.095 -13.175 -4.114 1.00 0.86 H new ATOM 0 HG2 PRO A 78 16.303 -12.164 -1.540 1.00 1.18 H new ATOM 0 HG3 PRO A 78 16.992 -13.264 -2.717 1.00 1.18 H new ATOM 0 HD2 PRO A 78 17.653 -10.581 -2.660 1.00 1.06 H new ATOM 0 HD3 PRO A 78 17.688 -11.512 -4.145 1.00 1.06 H new ATOM 361 N MET A 79 12.547 -10.236 -2.614 1.00 0.65 N ATOM 362 CA MET A 79 11.741 -9.611 -1.523 1.00 0.61 C ATOM 363 C MET A 79 11.655 -10.576 -0.334 1.00 0.51 C ATOM 364 O MET A 79 11.075 -11.639 -0.426 1.00 0.56 O ATOM 365 CB MET A 79 10.332 -9.294 -2.053 1.00 0.66 C ATOM 366 CG MET A 79 9.389 -8.931 -0.898 1.00 0.74 C ATOM 367 SD MET A 79 10.162 -7.678 0.156 1.00 1.25 S ATOM 368 CE MET A 79 9.814 -6.242 -0.892 1.00 0.83 C ATOM 0 H MET A 79 12.033 -10.442 -3.471 1.00 0.65 H new ATOM 0 HA MET A 79 12.216 -8.687 -1.194 1.00 0.61 H new ATOM 0 HB2 MET A 79 10.382 -8.468 -2.762 1.00 0.66 H new ATOM 0 HB3 MET A 79 9.939 -10.155 -2.594 1.00 0.66 H new ATOM 0 HG2 MET A 79 8.445 -8.555 -1.292 1.00 0.74 H new ATOM 0 HG3 MET A 79 9.158 -9.820 -0.312 1.00 0.74 H new ATOM 0 HE1 MET A 79 10.736 -5.688 -1.068 1.00 0.83 H new ATOM 0 HE2 MET A 79 9.405 -6.578 -1.845 1.00 0.83 H new ATOM 0 HE3 MET A 79 9.092 -5.595 -0.394 1.00 0.83 H new ATOM 378 N THR A 80 12.239 -10.214 0.781 1.00 0.56 N ATOM 379 CA THR A 80 12.204 -11.112 1.979 1.00 0.60 C ATOM 380 C THR A 80 11.004 -10.799 2.863 1.00 0.56 C ATOM 381 O THR A 80 10.677 -9.656 3.106 1.00 0.50 O ATOM 382 CB THR A 80 13.492 -10.936 2.785 1.00 0.77 C ATOM 383 OG1 THR A 80 13.434 -9.723 3.515 1.00 0.94 O ATOM 384 CG2 THR A 80 14.686 -10.906 1.831 1.00 0.73 C ATOM 0 H THR A 80 12.739 -9.335 0.915 1.00 0.56 H new ATOM 0 HA THR A 80 12.117 -12.143 1.635 1.00 0.60 H new ATOM 0 HB THR A 80 13.603 -11.768 3.480 1.00 0.77 H new ATOM 0 HG1 THR A 80 14.259 -9.613 4.032 1.00 0.94 H new ATOM 0 HG21 THR A 80 15.605 -10.781 2.403 1.00 0.73 H new ATOM 0 HG22 THR A 80 14.730 -11.842 1.274 1.00 0.73 H new ATOM 0 HG23 THR A 80 14.575 -10.074 1.135 1.00 0.73 H new ATOM 392 N TYR A 81 10.360 -11.817 3.386 1.00 0.61 N ATOM 393 CA TYR A 81 9.208 -11.574 4.298 1.00 0.60 C ATOM 394 C TYR A 81 9.703 -10.575 5.343 1.00 0.51 C ATOM 395 O TYR A 81 9.037 -9.616 5.682 1.00 0.45 O ATOM 396 CB TYR A 81 8.783 -12.917 4.942 1.00 0.69 C ATOM 397 CG TYR A 81 8.348 -12.734 6.383 1.00 0.60 C ATOM 398 CD1 TYR A 81 7.085 -12.204 6.677 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.213 -13.096 7.424 1.00 0.71 C ATOM 400 CE1 TYR A 81 6.690 -12.036 8.010 1.00 0.66 C ATOM 401 CE2 TYR A 81 8.818 -12.930 8.755 1.00 0.77 C ATOM 402 CZ TYR A 81 7.556 -12.400 9.049 1.00 0.73 C ATOM 403 OH TYR A 81 7.169 -12.236 10.364 1.00 0.90 O ATOM 0 H TYR A 81 10.584 -12.798 3.219 1.00 0.61 H new ATOM 0 HA TYR A 81 8.335 -11.175 3.781 1.00 0.60 H new ATOM 0 HB2 TYR A 81 7.966 -13.354 4.368 1.00 0.69 H new ATOM 0 HB3 TYR A 81 9.614 -13.621 4.899 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.416 -11.925 5.876 1.00 0.59 H new ATOM 0 HD2 TYR A 81 10.187 -13.504 7.198 1.00 0.71 H new ATOM 0 HE1 TYR A 81 5.717 -11.626 8.237 1.00 0.66 H new ATOM 0 HE2 TYR A 81 9.486 -13.211 9.556 1.00 0.77 H new ATOM 0 HH TYR A 81 7.888 -12.540 10.957 1.00 0.90 H new ATOM 413 N LYS A 82 10.904 -10.779 5.804 1.00 0.52 N ATOM 414 CA LYS A 82 11.499 -9.834 6.772 1.00 0.48 C ATOM 415 C LYS A 82 11.591 -8.462 6.100 1.00 0.40 C ATOM 416 O LYS A 82 11.418 -7.441 6.735 1.00 0.38 O ATOM 417 CB LYS A 82 12.906 -10.311 7.162 1.00 0.55 C ATOM 418 CG LYS A 82 13.473 -9.440 8.305 1.00 0.60 C ATOM 419 CD LYS A 82 13.060 -10.014 9.664 1.00 0.92 C ATOM 420 CE LYS A 82 13.608 -9.125 10.782 1.00 1.49 C ATOM 421 NZ LYS A 82 15.097 -9.109 10.722 1.00 2.32 N ATOM 0 H LYS A 82 11.499 -11.567 5.547 1.00 0.52 H new ATOM 0 HA LYS A 82 10.885 -9.777 7.671 1.00 0.48 H new ATOM 0 HB2 LYS A 82 12.869 -11.354 7.475 1.00 0.55 H new ATOM 0 HB3 LYS A 82 13.567 -10.261 6.296 1.00 0.55 H new ATOM 0 HG2 LYS A 82 14.560 -9.398 8.235 1.00 0.60 H new ATOM 0 HG3 LYS A 82 13.108 -8.418 8.208 1.00 0.60 H new ATOM 0 HD2 LYS A 82 11.974 -10.072 9.731 1.00 0.92 H new ATOM 0 HD3 LYS A 82 13.441 -11.029 9.773 1.00 0.92 H new ATOM 0 HE2 LYS A 82 13.219 -8.112 10.679 1.00 1.49 H new ATOM 0 HE3 LYS A 82 13.277 -9.497 11.752 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 15.484 -9.228 11.680 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 15.428 -9.886 10.115 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 15.419 -8.202 10.329 1.00 2.32 H new ATOM 435 N ALA A 83 11.868 -8.420 4.810 1.00 0.42 N ATOM 436 CA ALA A 83 11.966 -7.087 4.140 1.00 0.41 C ATOM 437 C ALA A 83 10.577 -6.441 4.059 1.00 0.35 C ATOM 438 O ALA A 83 10.445 -5.235 4.079 1.00 0.34 O ATOM 439 CB ALA A 83 12.550 -7.239 2.730 1.00 0.52 C ATOM 0 H ALA A 83 12.026 -9.231 4.212 1.00 0.42 H new ATOM 0 HA ALA A 83 12.627 -6.449 4.727 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.615 -6.260 2.256 1.00 0.52 H new ATOM 0 HB2 ALA A 83 13.546 -7.678 2.794 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.905 -7.887 2.137 1.00 0.52 H new ATOM 445 N ALA A 84 9.544 -7.233 3.960 1.00 0.34 N ATOM 446 CA ALA A 84 8.165 -6.665 3.869 1.00 0.31 C ATOM 447 C ALA A 84 7.782 -5.967 5.180 1.00 0.28 C ATOM 448 O ALA A 84 7.496 -4.787 5.205 1.00 0.28 O ATOM 449 CB ALA A 84 7.169 -7.793 3.589 1.00 0.34 C ATOM 0 H ALA A 84 9.594 -8.252 3.938 1.00 0.34 H new ATOM 0 HA ALA A 84 8.140 -5.934 3.060 1.00 0.31 H new ATOM 0 HB1 ALA A 84 6.162 -7.381 3.522 1.00 0.34 H new ATOM 0 HB2 ALA A 84 7.425 -8.279 2.648 1.00 0.34 H new ATOM 0 HB3 ALA A 84 7.209 -8.523 4.397 1.00 0.34 H new ATOM 455 N VAL A 85 7.756 -6.692 6.265 1.00 0.29 N ATOM 456 CA VAL A 85 7.370 -6.072 7.568 1.00 0.29 C ATOM 457 C VAL A 85 8.363 -4.970 7.926 1.00 0.29 C ATOM 458 O VAL A 85 7.989 -3.916 8.401 1.00 0.30 O ATOM 459 CB VAL A 85 7.368 -7.128 8.681 1.00 0.33 C ATOM 460 CG1 VAL A 85 6.704 -6.547 9.934 1.00 0.37 C ATOM 461 CG2 VAL A 85 6.584 -8.365 8.235 1.00 0.38 C ATOM 0 H VAL A 85 7.985 -7.685 6.307 1.00 0.29 H new ATOM 0 HA VAL A 85 6.369 -5.652 7.471 1.00 0.29 H new ATOM 0 HB VAL A 85 8.398 -7.411 8.898 1.00 0.33 H new ATOM 0 HG11 VAL A 85 6.702 -7.296 10.725 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.259 -5.670 10.266 1.00 0.37 H new ATOM 0 HG13 VAL A 85 5.678 -6.261 9.703 1.00 0.37 H new ATOM 0 HG21 VAL A 85 6.590 -9.107 9.033 1.00 0.38 H new ATOM 0 HG22 VAL A 85 5.556 -8.082 8.010 1.00 0.38 H new ATOM 0 HG23 VAL A 85 7.047 -8.788 7.344 1.00 0.38 H new ATOM 471 N ASP A 86 9.624 -5.196 7.697 1.00 0.30 N ATOM 472 CA ASP A 86 10.622 -4.146 8.022 1.00 0.32 C ATOM 473 C ASP A 86 10.273 -2.897 7.219 1.00 0.30 C ATOM 474 O ASP A 86 10.214 -1.803 7.743 1.00 0.31 O ATOM 475 CB ASP A 86 12.020 -4.632 7.640 1.00 0.36 C ATOM 476 CG ASP A 86 12.488 -5.683 8.648 1.00 0.42 C ATOM 477 OD1 ASP A 86 11.710 -6.571 8.954 1.00 1.05 O ATOM 478 OD2 ASP A 86 13.616 -5.578 9.100 1.00 1.23 O ATOM 0 H ASP A 86 10.004 -6.056 7.302 1.00 0.30 H new ATOM 0 HA ASP A 86 10.607 -3.925 9.089 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.007 -5.056 6.636 1.00 0.36 H new ATOM 0 HB3 ASP A 86 12.716 -3.793 7.623 1.00 0.36 H new ATOM 483 N LEU A 87 10.023 -3.059 5.950 1.00 0.29 N ATOM 484 CA LEU A 87 9.659 -1.888 5.109 1.00 0.30 C ATOM 485 C LEU A 87 8.358 -1.276 5.639 1.00 0.29 C ATOM 486 O LEU A 87 8.227 -0.072 5.732 1.00 0.30 O ATOM 487 CB LEU A 87 9.475 -2.341 3.653 1.00 0.33 C ATOM 488 CG LEU A 87 9.439 -1.117 2.710 1.00 0.42 C ATOM 489 CD1 LEU A 87 10.865 -0.690 2.339 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.682 -1.476 1.425 1.00 0.44 C ATOM 0 H LEU A 87 10.055 -3.953 5.460 1.00 0.29 H new ATOM 0 HA LEU A 87 10.451 -1.141 5.149 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.290 -3.006 3.366 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.550 -2.910 3.556 1.00 0.33 H new ATOM 0 HG LEU A 87 8.936 -0.298 3.224 1.00 0.42 H new ATOM 0 HD11 LEU A 87 10.825 0.173 1.674 1.00 0.52 H new ATOM 0 HD12 LEU A 87 11.413 -0.426 3.244 1.00 0.52 H new ATOM 0 HD13 LEU A 87 11.372 -1.513 1.835 1.00 0.52 H new ATOM 0 HD21 LEU A 87 8.659 -0.611 0.763 1.00 0.44 H new ATOM 0 HD22 LEU A 87 9.186 -2.303 0.924 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.662 -1.770 1.674 1.00 0.44 H new ATOM 502 N SER A 88 7.394 -2.090 5.998 1.00 0.30 N ATOM 503 CA SER A 88 6.118 -1.535 6.528 1.00 0.34 C ATOM 504 C SER A 88 6.422 -0.566 7.680 1.00 0.33 C ATOM 505 O SER A 88 5.895 0.527 7.737 1.00 0.36 O ATOM 506 CB SER A 88 5.242 -2.680 7.035 1.00 0.40 C ATOM 507 OG SER A 88 5.657 -3.045 8.344 1.00 0.44 O ATOM 0 H SER A 88 7.439 -3.108 5.946 1.00 0.30 H new ATOM 0 HA SER A 88 5.593 -1.000 5.737 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.195 -2.376 7.045 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.319 -3.536 6.365 1.00 0.40 H new ATOM 0 HG SER A 88 6.448 -3.620 8.288 1.00 0.44 H new ATOM 513 N HIS A 89 7.271 -0.957 8.598 1.00 0.34 N ATOM 514 CA HIS A 89 7.608 -0.055 9.744 1.00 0.36 C ATOM 515 C HIS A 89 8.491 1.096 9.249 1.00 0.36 C ATOM 516 O HIS A 89 8.364 2.219 9.692 1.00 0.41 O ATOM 517 CB HIS A 89 8.370 -0.846 10.820 1.00 0.41 C ATOM 518 CG HIS A 89 7.417 -1.682 11.628 1.00 0.52 C ATOM 519 ND1 HIS A 89 7.544 -3.060 11.722 1.00 1.43 N ATOM 520 CD2 HIS A 89 6.331 -1.353 12.401 1.00 1.01 C ATOM 521 CE1 HIS A 89 6.563 -3.504 12.526 1.00 1.27 C ATOM 522 NE2 HIS A 89 5.793 -2.506 12.968 1.00 0.82 N ATOM 0 H HIS A 89 7.745 -1.860 8.604 1.00 0.34 H new ATOM 0 HA HIS A 89 6.686 0.344 10.167 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.117 -1.486 10.350 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.906 -0.159 11.475 1.00 0.41 H new ATOM 0 HD1 HIS A 89 8.253 -3.632 11.264 1.00 1.43 H new ATOM 0 HD2 HIS A 89 5.952 -0.352 12.547 1.00 1.01 H new ATOM 0 HE1 HIS A 89 6.415 -4.542 12.784 1.00 1.27 H new ATOM 530 N PHE A 90 9.384 0.828 8.340 1.00 0.34 N ATOM 531 CA PHE A 90 10.266 1.912 7.830 1.00 0.37 C ATOM 532 C PHE A 90 9.396 3.079 7.355 1.00 0.40 C ATOM 533 O PHE A 90 9.508 4.190 7.835 1.00 0.47 O ATOM 534 CB PHE A 90 11.088 1.367 6.658 1.00 0.38 C ATOM 535 CG PHE A 90 12.236 2.302 6.355 1.00 0.47 C ATOM 536 CD1 PHE A 90 13.331 2.368 7.222 1.00 0.57 C ATOM 537 CD2 PHE A 90 12.207 3.097 5.202 1.00 0.59 C ATOM 538 CE1 PHE A 90 14.398 3.228 6.939 1.00 0.69 C ATOM 539 CE2 PHE A 90 13.274 3.957 4.919 1.00 0.70 C ATOM 540 CZ PHE A 90 14.369 4.023 5.787 1.00 0.72 C ATOM 0 H PHE A 90 9.541 -0.092 7.929 1.00 0.34 H new ATOM 0 HA PHE A 90 10.937 2.258 8.617 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.470 0.375 6.901 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.454 1.258 5.778 1.00 0.38 H new ATOM 0 HD1 PHE A 90 13.353 1.755 8.111 1.00 0.57 H new ATOM 0 HD2 PHE A 90 11.362 3.046 4.532 1.00 0.59 H new ATOM 0 HE1 PHE A 90 15.244 3.278 7.609 1.00 0.69 H new ATOM 0 HE2 PHE A 90 13.252 4.570 4.030 1.00 0.70 H new ATOM 0 HZ PHE A 90 15.192 4.687 5.568 1.00 0.72 H new ATOM 550 N LEU A 91 8.529 2.826 6.416 1.00 0.37 N ATOM 551 CA LEU A 91 7.637 3.902 5.899 1.00 0.42 C ATOM 552 C LEU A 91 6.753 4.453 7.028 1.00 0.47 C ATOM 553 O LEU A 91 6.274 5.565 6.957 1.00 0.57 O ATOM 554 CB LEU A 91 6.741 3.318 4.802 1.00 0.41 C ATOM 555 CG LEU A 91 7.598 2.882 3.591 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.918 1.719 2.865 1.00 0.42 C ATOM 557 CD2 LEU A 91 7.764 4.053 2.613 1.00 0.54 C ATOM 0 H LEU A 91 8.398 1.913 5.981 1.00 0.37 H new ATOM 0 HA LEU A 91 8.248 4.712 5.501 1.00 0.42 H new ATOM 0 HB2 LEU A 91 6.186 2.464 5.191 1.00 0.41 H new ATOM 0 HB3 LEU A 91 6.006 4.060 4.489 1.00 0.41 H new ATOM 0 HG LEU A 91 8.577 2.568 3.952 1.00 0.41 H new ATOM 0 HD11 LEU A 91 7.527 1.416 2.013 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.808 0.878 3.549 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.935 2.034 2.515 1.00 0.42 H new ATOM 0 HD21 LEU A 91 8.369 3.735 1.764 1.00 0.54 H new ATOM 0 HD22 LEU A 91 6.784 4.374 2.260 1.00 0.54 H new ATOM 0 HD23 LEU A 91 8.257 4.883 3.119 1.00 0.54 H new ATOM 569 N LYS A 92 6.512 3.685 8.061 1.00 0.45 N ATOM 570 CA LYS A 92 5.637 4.189 9.161 1.00 0.53 C ATOM 571 C LYS A 92 6.245 5.446 9.783 1.00 0.63 C ATOM 572 O LYS A 92 5.588 6.458 9.924 1.00 0.85 O ATOM 573 CB LYS A 92 5.497 3.116 10.249 1.00 0.54 C ATOM 574 CG LYS A 92 4.393 3.519 11.255 1.00 0.73 C ATOM 575 CD LYS A 92 4.749 3.009 12.658 1.00 1.20 C ATOM 576 CE LYS A 92 3.553 3.198 13.597 1.00 1.61 C ATOM 577 NZ LYS A 92 3.362 4.650 13.877 1.00 2.27 N ATOM 0 H LYS A 92 6.879 2.742 8.189 1.00 0.45 H new ATOM 0 HA LYS A 92 4.657 4.424 8.745 1.00 0.53 H new ATOM 0 HB2 LYS A 92 5.253 2.156 9.794 1.00 0.54 H new ATOM 0 HB3 LYS A 92 6.446 2.990 10.770 1.00 0.54 H new ATOM 0 HG2 LYS A 92 4.282 4.603 11.271 1.00 0.73 H new ATOM 0 HG3 LYS A 92 3.435 3.105 10.941 1.00 0.73 H new ATOM 0 HD2 LYS A 92 5.025 1.955 12.613 1.00 1.20 H new ATOM 0 HD3 LYS A 92 5.614 3.549 13.043 1.00 1.20 H new ATOM 0 HE2 LYS A 92 2.653 2.783 13.144 1.00 1.61 H new ATOM 0 HE3 LYS A 92 3.720 2.656 14.528 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 2.605 4.771 14.580 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 4.247 5.051 14.248 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 3.101 5.142 12.998 1.00 2.27 H new ATOM 591 N GLU A 93 7.489 5.388 10.169 1.00 0.62 N ATOM 592 CA GLU A 93 8.131 6.577 10.796 1.00 0.76 C ATOM 593 C GLU A 93 8.299 7.692 9.763 1.00 0.77 C ATOM 594 O GLU A 93 7.712 8.750 9.872 1.00 1.05 O ATOM 595 CB GLU A 93 9.512 6.190 11.331 1.00 0.94 C ATOM 596 CG GLU A 93 9.373 5.089 12.385 1.00 1.22 C ATOM 597 CD GLU A 93 8.714 5.663 13.639 1.00 2.00 C ATOM 598 OE1 GLU A 93 8.816 6.862 13.841 1.00 2.73 O ATOM 599 OE2 GLU A 93 8.119 4.895 14.376 1.00 2.54 O ATOM 0 H GLU A 93 8.089 4.568 10.077 1.00 0.62 H new ATOM 0 HA GLU A 93 7.497 6.928 11.610 1.00 0.76 H new ATOM 0 HB2 GLU A 93 10.145 5.845 10.513 1.00 0.94 H new ATOM 0 HB3 GLU A 93 10.001 7.062 11.766 1.00 0.94 H new ATOM 0 HG2 GLU A 93 8.775 4.267 11.991 1.00 1.22 H new ATOM 0 HG3 GLU A 93 10.353 4.681 12.631 1.00 1.22 H new ATOM 606 N LYS A 94 9.123 7.469 8.777 1.00 0.80 N ATOM 607 CA LYS A 94 9.367 8.520 7.748 1.00 1.02 C ATOM 608 C LYS A 94 8.187 8.629 6.775 1.00 0.96 C ATOM 609 O LYS A 94 7.764 9.712 6.426 1.00 1.41 O ATOM 610 CB LYS A 94 10.633 8.168 6.963 1.00 1.39 C ATOM 611 CG LYS A 94 11.794 7.928 7.938 1.00 1.63 C ATOM 612 CD LYS A 94 13.051 7.483 7.164 1.00 2.18 C ATOM 613 CE LYS A 94 13.820 8.707 6.650 1.00 2.61 C ATOM 614 NZ LYS A 94 14.356 9.479 7.806 1.00 2.96 N ATOM 0 H LYS A 94 9.640 6.601 8.639 1.00 0.80 H new ATOM 0 HA LYS A 94 9.485 9.478 8.255 1.00 1.02 H new ATOM 0 HB2 LYS A 94 10.462 7.277 6.359 1.00 1.39 H new ATOM 0 HB3 LYS A 94 10.883 8.976 6.276 1.00 1.39 H new ATOM 0 HG2 LYS A 94 12.005 8.840 8.496 1.00 1.63 H new ATOM 0 HG3 LYS A 94 11.516 7.166 8.666 1.00 1.63 H new ATOM 0 HD2 LYS A 94 13.694 6.887 7.812 1.00 2.18 H new ATOM 0 HD3 LYS A 94 12.765 6.847 6.327 1.00 2.18 H new ATOM 0 HE2 LYS A 94 14.636 8.390 6.001 1.00 2.61 H new ATOM 0 HE3 LYS A 94 13.163 9.338 6.051 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 15.227 9.970 7.521 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 13.650 10.177 8.115 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 14.566 8.829 8.590 1.00 2.96 H new ATOM 628 N GLY A 95 7.669 7.525 6.312 1.00 1.12 N ATOM 629 CA GLY A 95 6.540 7.590 5.338 1.00 1.51 C ATOM 630 C GLY A 95 5.222 7.913 6.054 1.00 1.10 C ATOM 631 O GLY A 95 5.046 7.610 7.217 1.00 1.71 O ATOM 0 H GLY A 95 7.975 6.585 6.563 1.00 1.12 H new ATOM 0 HA2 GLY A 95 6.746 8.351 4.585 1.00 1.51 H new ATOM 0 HA3 GLY A 95 6.451 6.639 4.814 1.00 1.51 H new ATOM 635 N GLY A 96 4.290 8.516 5.351 1.00 1.17 N ATOM 636 CA GLY A 96 2.959 8.859 5.949 1.00 0.99 C ATOM 637 C GLY A 96 1.868 8.285 5.043 1.00 0.81 C ATOM 638 O GLY A 96 0.917 8.954 4.691 1.00 0.83 O ATOM 0 H GLY A 96 4.398 8.789 4.374 1.00 1.17 H new ATOM 0 HA2 GLY A 96 2.875 8.445 6.954 1.00 0.99 H new ATOM 0 HA3 GLY A 96 2.849 9.940 6.039 1.00 0.99 H new ATOM 642 N LEU A 97 2.020 7.052 4.649 1.00 0.67 N ATOM 643 CA LEU A 97 1.025 6.408 3.746 1.00 0.55 C ATOM 644 C LEU A 97 -0.185 5.934 4.560 1.00 0.46 C ATOM 645 O LEU A 97 -1.303 5.948 4.086 1.00 0.49 O ATOM 646 CB LEU A 97 1.708 5.209 3.070 1.00 0.54 C ATOM 647 CG LEU A 97 0.766 4.512 2.066 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.780 5.261 0.728 1.00 0.65 C ATOM 649 CD2 LEU A 97 1.237 3.063 1.844 1.00 0.66 C ATOM 0 H LEU A 97 2.802 6.455 4.918 1.00 0.67 H new ATOM 0 HA LEU A 97 0.677 7.117 2.995 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.607 5.545 2.554 1.00 0.54 H new ATOM 0 HB3 LEU A 97 2.025 4.494 3.829 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.248 4.513 2.467 1.00 0.54 H new ATOM 0 HD11 LEU A 97 0.113 4.763 0.025 1.00 0.65 H new ATOM 0 HD12 LEU A 97 0.445 6.287 0.882 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.793 5.267 0.325 1.00 0.65 H new ATOM 0 HD21 LEU A 97 0.573 2.569 1.135 1.00 0.66 H new ATOM 0 HD22 LEU A 97 2.252 3.067 1.448 1.00 0.66 H new ATOM 0 HD23 LEU A 97 1.220 2.526 2.792 1.00 0.66 H new ATOM 661 N GLU A 98 0.029 5.506 5.770 1.00 0.44 N ATOM 662 CA GLU A 98 -1.109 5.019 6.600 1.00 0.40 C ATOM 663 C GLU A 98 -2.257 6.027 6.580 1.00 0.40 C ATOM 664 O GLU A 98 -2.064 7.225 6.651 1.00 0.58 O ATOM 665 CB GLU A 98 -0.641 4.812 8.042 1.00 0.49 C ATOM 666 CG GLU A 98 -1.846 4.522 8.950 1.00 0.48 C ATOM 667 CD GLU A 98 -1.372 3.852 10.241 1.00 1.26 C ATOM 668 OE1 GLU A 98 -0.508 4.415 10.894 1.00 2.03 O ATOM 669 OE2 GLU A 98 -1.879 2.788 10.553 1.00 1.94 O ATOM 0 H GLU A 98 0.943 5.471 6.222 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.462 4.074 6.187 1.00 0.40 H new ATOM 0 HB2 GLU A 98 0.067 3.984 8.088 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.116 5.700 8.394 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -2.370 5.449 9.182 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -2.555 3.876 8.433 1.00 0.48 H new ATOM 676 N GLY A 99 -3.453 5.526 6.515 1.00 0.39 N ATOM 677 CA GLY A 99 -4.654 6.404 6.523 1.00 0.42 C ATOM 678 C GLY A 99 -4.711 7.286 5.267 1.00 0.42 C ATOM 679 O GLY A 99 -5.616 8.080 5.110 1.00 0.46 O ATOM 0 H GLY A 99 -3.655 4.528 6.456 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -5.554 5.792 6.581 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -4.640 7.035 7.412 1.00 0.42 H new ATOM 683 N LEU A 100 -3.769 7.166 4.371 1.00 0.41 N ATOM 684 CA LEU A 100 -3.815 8.021 3.145 1.00 0.43 C ATOM 685 C LEU A 100 -4.899 7.487 2.206 1.00 0.42 C ATOM 686 O LEU A 100 -4.834 6.364 1.753 1.00 0.44 O ATOM 687 CB LEU A 100 -2.455 7.993 2.435 1.00 0.45 C ATOM 688 CG LEU A 100 -2.396 9.092 1.355 1.00 0.55 C ATOM 689 CD1 LEU A 100 -2.093 10.458 1.988 1.00 1.15 C ATOM 690 CD2 LEU A 100 -1.293 8.759 0.347 1.00 1.17 C ATOM 0 H LEU A 100 -2.979 6.523 4.430 1.00 0.41 H new ATOM 0 HA LEU A 100 -4.044 9.049 3.426 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -1.655 8.142 3.160 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -2.294 7.016 1.979 1.00 0.45 H new ATOM 0 HG LEU A 100 -3.364 9.137 0.855 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -2.056 11.220 1.209 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -2.876 10.709 2.704 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -1.132 10.416 2.501 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -1.251 9.536 -0.416 1.00 1.17 H new ATOM 0 HD22 LEU A 100 -0.334 8.704 0.862 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -1.507 7.799 -0.123 1.00 1.17 H new ATOM 702 N ILE A 101 -5.906 8.273 1.927 1.00 0.44 N ATOM 703 CA ILE A 101 -7.003 7.789 1.041 1.00 0.45 C ATOM 704 C ILE A 101 -6.463 7.431 -0.353 1.00 0.46 C ATOM 705 O ILE A 101 -6.159 8.287 -1.159 1.00 0.49 O ATOM 706 CB ILE A 101 -8.114 8.855 0.957 1.00 0.50 C ATOM 707 CG1 ILE A 101 -8.974 8.808 2.242 1.00 0.51 C ATOM 708 CG2 ILE A 101 -9.004 8.617 -0.271 1.00 0.54 C ATOM 709 CD1 ILE A 101 -10.022 7.674 2.184 1.00 0.52 C ATOM 0 H ILE A 101 -6.015 9.226 2.274 1.00 0.44 H new ATOM 0 HA ILE A 101 -7.428 6.880 1.467 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.649 9.836 0.862 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.328 8.663 3.108 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.479 9.764 2.378 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -9.781 9.380 -0.311 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -8.398 8.669 -1.175 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -9.466 7.632 -0.200 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.607 7.672 3.104 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.684 7.834 1.333 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.515 6.715 2.074 1.00 0.52 H new ATOM 721 N HIS A 102 -6.377 6.155 -0.633 1.00 0.47 N ATOM 722 CA HIS A 102 -5.898 5.686 -1.963 1.00 0.51 C ATOM 723 C HIS A 102 -6.944 6.061 -3.016 1.00 0.58 C ATOM 724 O HIS A 102 -8.000 5.457 -3.094 1.00 0.64 O ATOM 725 CB HIS A 102 -5.712 4.155 -1.915 1.00 0.57 C ATOM 726 CG HIS A 102 -5.682 3.572 -3.305 1.00 0.64 C ATOM 727 ND1 HIS A 102 -6.839 3.343 -4.031 1.00 1.41 N ATOM 728 CD2 HIS A 102 -4.649 3.157 -4.107 1.00 0.64 C ATOM 729 CE1 HIS A 102 -6.478 2.810 -5.212 1.00 1.36 C ATOM 730 NE2 HIS A 102 -5.154 2.676 -5.311 1.00 0.70 N ATOM 0 H HIS A 102 -6.623 5.408 0.017 1.00 0.47 H new ATOM 0 HA HIS A 102 -4.946 6.152 -2.217 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -4.785 3.914 -1.395 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.524 3.704 -1.345 1.00 0.57 H new ATOM 0 HD1 HIS A 102 -7.792 3.542 -3.726 1.00 1.41 H new ATOM 0 HD2 HIS A 102 -3.602 3.198 -3.844 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -7.175 2.525 -5.986 1.00 1.36 H new ATOM 738 N SER A 103 -6.653 7.053 -3.814 1.00 0.60 N ATOM 739 CA SER A 103 -7.612 7.481 -4.870 1.00 0.69 C ATOM 740 C SER A 103 -7.655 6.433 -5.983 1.00 0.76 C ATOM 741 O SER A 103 -8.648 5.760 -6.181 1.00 0.85 O ATOM 742 CB SER A 103 -7.159 8.821 -5.451 1.00 0.74 C ATOM 743 OG SER A 103 -7.312 9.834 -4.465 1.00 1.49 O ATOM 0 H SER A 103 -5.785 7.588 -3.778 1.00 0.60 H new ATOM 0 HA SER A 103 -8.606 7.586 -4.435 1.00 0.69 H new ATOM 0 HB2 SER A 103 -6.118 8.760 -5.768 1.00 0.74 H new ATOM 0 HB3 SER A 103 -7.748 9.065 -6.335 1.00 0.74 H new ATOM 0 HG SER A 103 -7.021 10.695 -4.832 1.00 1.49 H new ATOM 749 N GLN A 104 -6.585 6.299 -6.720 1.00 0.81 N ATOM 750 CA GLN A 104 -6.564 5.303 -7.829 1.00 0.92 C ATOM 751 C GLN A 104 -5.127 5.121 -8.333 1.00 0.93 C ATOM 752 O GLN A 104 -4.607 4.024 -8.374 1.00 1.37 O ATOM 753 CB GLN A 104 -7.453 5.813 -8.974 1.00 1.06 C ATOM 754 CG GLN A 104 -7.824 4.656 -9.907 1.00 1.76 C ATOM 755 CD GLN A 104 -6.569 4.157 -10.623 1.00 2.14 C ATOM 756 OE1 GLN A 104 -6.018 3.133 -10.267 1.00 2.64 O ATOM 757 NE2 GLN A 104 -6.088 4.843 -11.624 1.00 2.70 N ATOM 0 H GLN A 104 -5.726 6.836 -6.602 1.00 0.81 H new ATOM 0 HA GLN A 104 -6.939 4.344 -7.470 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -8.357 6.268 -8.568 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -6.930 6.588 -9.534 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -8.277 3.845 -9.336 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -8.565 4.985 -10.636 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -6.550 5.702 -11.923 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -5.250 4.520 -12.108 1.00 2.70 H new ATOM 766 N ARG A 105 -4.487 6.190 -8.729 1.00 0.83 N ATOM 767 CA ARG A 105 -3.088 6.085 -9.244 1.00 0.87 C ATOM 768 C ARG A 105 -2.091 6.135 -8.081 1.00 0.74 C ATOM 769 O ARG A 105 -0.937 5.789 -8.230 1.00 0.70 O ATOM 770 CB ARG A 105 -2.811 7.252 -10.198 1.00 1.06 C ATOM 771 CG ARG A 105 -2.795 8.571 -9.414 1.00 1.71 C ATOM 772 CD ARG A 105 -2.939 9.746 -10.383 1.00 1.99 C ATOM 773 NE ARG A 105 -4.312 9.735 -10.963 1.00 2.86 N ATOM 774 CZ ARG A 105 -4.749 10.770 -11.629 1.00 3.60 C ATOM 775 NH1 ARG A 105 -3.975 11.802 -11.817 1.00 3.73 N ATOM 776 NH2 ARG A 105 -5.960 10.771 -12.115 1.00 4.61 N ATOM 0 H ARG A 105 -4.873 7.134 -8.718 1.00 0.83 H new ATOM 0 HA ARG A 105 -2.973 5.138 -9.771 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -1.854 7.105 -10.699 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -3.575 7.289 -10.974 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -3.608 8.584 -8.688 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -1.865 8.661 -8.853 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -2.758 10.687 -9.863 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -2.195 9.672 -11.176 1.00 1.99 H new ATOM 0 HE ARG A 105 -4.911 8.919 -10.840 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -3.026 11.802 -11.444 1.00 3.73 H new ATOM 0 HH12 ARG A 105 -4.319 12.609 -12.337 1.00 3.73 H new ATOM 0 HH21 ARG A 105 -6.566 9.963 -11.975 1.00 4.61 H new ATOM 0 HH22 ARG A 105 -6.300 11.580 -12.635 1.00 4.61 H new ATOM 790 N ARG A 106 -2.522 6.573 -6.930 1.00 0.71 N ATOM 791 CA ARG A 106 -1.592 6.656 -5.769 1.00 0.65 C ATOM 792 C ARG A 106 -0.887 5.313 -5.571 1.00 0.54 C ATOM 793 O ARG A 106 0.231 5.252 -5.098 1.00 0.50 O ATOM 794 CB ARG A 106 -2.385 7.003 -4.506 1.00 0.70 C ATOM 795 CG ARG A 106 -3.110 8.344 -4.698 1.00 1.01 C ATOM 796 CD ARG A 106 -2.101 9.502 -4.717 1.00 1.24 C ATOM 797 NE ARG A 106 -2.797 10.772 -4.371 1.00 1.86 N ATOM 798 CZ ARG A 106 -2.105 11.820 -4.015 1.00 2.48 C ATOM 799 NH1 ARG A 106 -0.801 11.749 -3.947 1.00 2.86 N ATOM 800 NH2 ARG A 106 -2.715 12.935 -3.720 1.00 3.29 N ATOM 0 H ARG A 106 -3.478 6.877 -6.744 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.847 7.429 -5.960 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -3.108 6.216 -4.292 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -1.714 7.061 -3.649 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -3.674 8.329 -5.631 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -3.830 8.494 -3.893 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -1.297 9.310 -4.006 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -1.642 9.583 -5.703 1.00 1.24 H new ATOM 0 HE ARG A 106 -3.815 10.823 -4.412 1.00 1.86 H new ATOM 0 HH11 ARG A 106 -0.325 10.875 -4.172 1.00 2.86 H new ATOM 0 HH12 ARG A 106 -0.259 12.567 -3.669 1.00 2.86 H new ATOM 0 HH21 ARG A 106 -3.733 12.988 -3.768 1.00 3.29 H new ATOM 0 HH22 ARG A 106 -2.174 13.754 -3.442 1.00 3.29 H new ATOM 814 N GLN A 107 -1.527 4.234 -5.927 1.00 0.55 N ATOM 815 CA GLN A 107 -0.885 2.902 -5.750 1.00 0.52 C ATOM 816 C GLN A 107 0.361 2.807 -6.641 1.00 0.49 C ATOM 817 O GLN A 107 1.405 2.356 -6.213 1.00 0.44 O ATOM 818 CB GLN A 107 -1.883 1.798 -6.128 1.00 0.63 C ATOM 819 CG GLN A 107 -1.450 0.460 -5.516 1.00 1.11 C ATOM 820 CD GLN A 107 -0.200 -0.054 -6.232 1.00 1.53 C ATOM 821 OE1 GLN A 107 0.928 -0.125 -5.580 1.00 2.13 O flip ATOM 822 NE2 GLN A 107 -0.251 -0.397 -7.396 1.00 2.12 N flip ATOM 0 H GLN A 107 -2.463 4.217 -6.331 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.589 2.777 -4.709 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -2.880 2.062 -5.775 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -1.943 1.708 -7.213 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -1.246 0.585 -4.452 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -2.256 -0.269 -5.603 1.00 1.11 H new ATOM 0 HE21 GLN A 107 -1.133 -0.342 -7.906 1.00 2.12 H new ATOM 0 HE22 GLN A 107 0.588 -0.741 -7.864 1.00 2.12 H new ATOM 831 N ASP A 108 0.262 3.226 -7.873 1.00 0.56 N ATOM 832 CA ASP A 108 1.445 3.154 -8.778 1.00 0.59 C ATOM 833 C ASP A 108 2.610 3.937 -8.167 1.00 0.54 C ATOM 834 O ASP A 108 3.752 3.528 -8.243 1.00 0.54 O ATOM 835 CB ASP A 108 1.088 3.752 -10.143 1.00 0.72 C ATOM 836 CG ASP A 108 -0.264 3.205 -10.604 1.00 0.81 C ATOM 837 OD1 ASP A 108 -0.401 1.995 -10.664 1.00 1.33 O ATOM 838 OD2 ASP A 108 -1.137 4.007 -10.890 1.00 1.42 O ATOM 0 H ASP A 108 -0.584 3.614 -8.291 1.00 0.56 H new ATOM 0 HA ASP A 108 1.736 2.111 -8.905 1.00 0.59 H new ATOM 0 HB2 ASP A 108 1.048 4.839 -10.076 1.00 0.72 H new ATOM 0 HB3 ASP A 108 1.859 3.506 -10.873 1.00 0.72 H new ATOM 843 N ILE A 109 2.334 5.060 -7.561 1.00 0.55 N ATOM 844 CA ILE A 109 3.431 5.863 -6.949 1.00 0.54 C ATOM 845 C ILE A 109 4.241 4.977 -5.996 1.00 0.47 C ATOM 846 O ILE A 109 5.447 4.875 -6.106 1.00 0.53 O ATOM 847 CB ILE A 109 2.831 7.041 -6.172 1.00 0.59 C ATOM 848 CG1 ILE A 109 1.937 7.863 -7.109 1.00 0.70 C ATOM 849 CG2 ILE A 109 3.956 7.930 -5.630 1.00 0.63 C ATOM 850 CD1 ILE A 109 1.315 9.034 -6.340 1.00 1.47 C ATOM 0 H ILE A 109 1.399 5.455 -7.463 1.00 0.55 H new ATOM 0 HA ILE A 109 4.085 6.244 -7.733 1.00 0.54 H new ATOM 0 HB ILE A 109 2.239 6.662 -5.339 1.00 0.59 H new ATOM 0 HG12 ILE A 109 2.522 8.238 -7.949 1.00 0.70 H new ATOM 0 HG13 ILE A 109 1.152 7.231 -7.524 1.00 0.70 H new ATOM 0 HG21 ILE A 109 3.526 8.766 -5.079 1.00 0.63 H new ATOM 0 HG22 ILE A 109 4.593 7.346 -4.965 1.00 0.63 H new ATOM 0 HG23 ILE A 109 4.551 8.311 -6.460 1.00 0.63 H new ATOM 0 HD11 ILE A 109 0.681 9.614 -7.011 1.00 1.47 H new ATOM 0 HD12 ILE A 109 0.715 8.650 -5.515 1.00 1.47 H new ATOM 0 HD13 ILE A 109 2.106 9.672 -5.946 1.00 1.47 H new ATOM 862 N LEU A 110 3.590 4.341 -5.061 1.00 0.43 N ATOM 863 CA LEU A 110 4.325 3.467 -4.098 1.00 0.39 C ATOM 864 C LEU A 110 5.245 2.513 -4.868 1.00 0.38 C ATOM 865 O LEU A 110 6.452 2.597 -4.781 1.00 0.38 O ATOM 866 CB LEU A 110 3.306 2.659 -3.273 1.00 0.42 C ATOM 867 CG LEU A 110 4.017 1.819 -2.187 1.00 0.44 C ATOM 868 CD1 LEU A 110 4.332 2.686 -0.964 1.00 0.56 C ATOM 869 CD2 LEU A 110 3.101 0.669 -1.750 1.00 0.66 C ATOM 0 H LEU A 110 2.581 4.388 -4.921 1.00 0.43 H new ATOM 0 HA LEU A 110 4.930 4.081 -3.430 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.592 3.337 -2.805 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.737 2.003 -3.932 1.00 0.42 H new ATOM 0 HG LEU A 110 4.945 1.427 -2.602 1.00 0.44 H new ATOM 0 HD11 LEU A 110 4.832 2.081 -0.208 1.00 0.56 H new ATOM 0 HD12 LEU A 110 4.983 3.509 -1.259 1.00 0.56 H new ATOM 0 HD13 LEU A 110 3.405 3.086 -0.553 1.00 0.56 H new ATOM 0 HD21 LEU A 110 3.601 0.076 -0.984 1.00 0.66 H new ATOM 0 HD22 LEU A 110 2.174 1.076 -1.346 1.00 0.66 H new ATOM 0 HD23 LEU A 110 2.876 0.037 -2.609 1.00 0.66 H new ATOM 881 N ASP A 111 4.685 1.599 -5.607 1.00 0.40 N ATOM 882 CA ASP A 111 5.527 0.625 -6.362 1.00 0.42 C ATOM 883 C ASP A 111 6.625 1.353 -7.147 1.00 0.43 C ATOM 884 O ASP A 111 7.766 0.933 -7.165 1.00 0.42 O ATOM 885 CB ASP A 111 4.649 -0.158 -7.339 1.00 0.50 C ATOM 886 CG ASP A 111 3.690 -1.061 -6.560 1.00 0.59 C ATOM 887 OD1 ASP A 111 3.874 -1.195 -5.362 1.00 1.30 O ATOM 888 OD2 ASP A 111 2.788 -1.604 -7.177 1.00 1.19 O ATOM 0 H ASP A 111 3.678 1.482 -5.723 1.00 0.40 H new ATOM 0 HA ASP A 111 5.994 -0.055 -5.649 1.00 0.42 H new ATOM 0 HB2 ASP A 111 4.085 0.530 -7.968 1.00 0.50 H new ATOM 0 HB3 ASP A 111 5.272 -0.759 -8.002 1.00 0.50 H new ATOM 893 N LEU A 112 6.291 2.423 -7.811 1.00 0.48 N ATOM 894 CA LEU A 112 7.316 3.157 -8.613 1.00 0.52 C ATOM 895 C LEU A 112 8.414 3.701 -7.695 1.00 0.48 C ATOM 896 O LEU A 112 9.581 3.411 -7.870 1.00 0.47 O ATOM 897 CB LEU A 112 6.631 4.318 -9.361 1.00 0.60 C ATOM 898 CG LEU A 112 7.415 4.676 -10.629 1.00 0.70 C ATOM 899 CD1 LEU A 112 6.654 5.754 -11.404 1.00 1.45 C ATOM 900 CD2 LEU A 112 8.803 5.202 -10.248 1.00 1.26 C ATOM 0 H LEU A 112 5.353 2.824 -7.835 1.00 0.48 H new ATOM 0 HA LEU A 112 7.772 2.476 -9.332 1.00 0.52 H new ATOM 0 HB2 LEU A 112 5.611 4.038 -9.624 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.564 5.189 -8.709 1.00 0.60 H new ATOM 0 HG LEU A 112 7.527 3.787 -11.250 1.00 0.70 H new ATOM 0 HD11 LEU A 112 7.208 6.012 -12.307 1.00 1.45 H new ATOM 0 HD12 LEU A 112 5.668 5.378 -11.678 1.00 1.45 H new ATOM 0 HD13 LEU A 112 6.543 6.641 -10.780 1.00 1.45 H new ATOM 0 HD21 LEU A 112 9.357 5.455 -11.152 1.00 1.26 H new ATOM 0 HD22 LEU A 112 8.697 6.091 -9.626 1.00 1.26 H new ATOM 0 HD23 LEU A 112 9.344 4.434 -9.694 1.00 1.26 H new ATOM 912 N TRP A 113 8.059 4.490 -6.722 1.00 0.48 N ATOM 913 CA TRP A 113 9.094 5.049 -5.807 1.00 0.48 C ATOM 914 C TRP A 113 10.000 3.920 -5.314 1.00 0.43 C ATOM 915 O TRP A 113 11.211 4.029 -5.338 1.00 0.45 O ATOM 916 CB TRP A 113 8.403 5.716 -4.617 1.00 0.52 C ATOM 917 CG TRP A 113 9.426 6.192 -3.637 1.00 0.56 C ATOM 918 CD1 TRP A 113 10.146 7.331 -3.756 1.00 0.66 C ATOM 919 CD2 TRP A 113 9.851 5.567 -2.391 1.00 0.55 C ATOM 920 NE1 TRP A 113 10.985 7.446 -2.662 1.00 0.70 N ATOM 921 CE2 TRP A 113 10.840 6.383 -1.793 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.478 4.384 -1.726 1.00 0.51 C ATOM 923 CZ2 TRP A 113 11.438 6.038 -0.580 1.00 0.70 C ATOM 924 CZ3 TRP A 113 10.077 4.035 -0.506 1.00 0.58 C ATOM 925 CH2 TRP A 113 11.054 4.861 0.066 1.00 0.67 C ATOM 0 H TRP A 113 7.100 4.772 -6.520 1.00 0.48 H new ATOM 0 HA TRP A 113 9.697 5.786 -6.337 1.00 0.48 H new ATOM 0 HB2 TRP A 113 7.797 6.555 -4.960 1.00 0.52 H new ATOM 0 HB3 TRP A 113 7.726 5.010 -4.136 1.00 0.52 H new ATOM 0 HD1 TRP A 113 10.077 8.035 -4.572 1.00 0.66 H new ATOM 0 HE1 TRP A 113 11.632 8.221 -2.515 1.00 0.70 H new ATOM 0 HE3 TRP A 113 8.726 3.740 -2.158 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 12.192 6.677 -0.144 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 9.783 3.124 -0.005 1.00 0.58 H new ATOM 0 HH2 TRP A 113 11.510 4.587 1.006 1.00 0.67 H new ATOM 936 N ILE A 114 9.429 2.834 -4.877 1.00 0.39 N ATOM 937 CA ILE A 114 10.265 1.703 -4.394 1.00 0.37 C ATOM 938 C ILE A 114 11.222 1.280 -5.517 1.00 0.39 C ATOM 939 O ILE A 114 12.311 0.801 -5.268 1.00 0.44 O ATOM 940 CB ILE A 114 9.349 0.527 -4.000 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.472 0.957 -2.815 1.00 0.37 C ATOM 942 CG2 ILE A 114 10.184 -0.698 -3.594 1.00 0.42 C ATOM 943 CD1 ILE A 114 7.560 -0.197 -2.392 1.00 1.00 C ATOM 0 H ILE A 114 8.421 2.681 -4.834 1.00 0.39 H new ATOM 0 HA ILE A 114 10.845 2.005 -3.522 1.00 0.37 H new ATOM 0 HB ILE A 114 8.729 0.258 -4.855 1.00 0.37 H new ATOM 0 HG12 ILE A 114 9.101 1.260 -1.978 1.00 0.37 H new ATOM 0 HG13 ILE A 114 7.871 1.823 -3.092 1.00 0.37 H new ATOM 0 HG21 ILE A 114 9.519 -1.517 -3.320 1.00 0.42 H new ATOM 0 HG22 ILE A 114 10.811 -1.005 -4.431 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.815 -0.442 -2.743 1.00 0.42 H new ATOM 0 HD11 ILE A 114 6.942 0.117 -1.551 1.00 1.00 H new ATOM 0 HD12 ILE A 114 6.920 -0.480 -3.227 1.00 1.00 H new ATOM 0 HD13 ILE A 114 8.168 -1.052 -2.096 1.00 1.00 H new ATOM 955 N TYR A 115 10.820 1.441 -6.751 1.00 0.40 N ATOM 956 CA TYR A 115 11.701 1.035 -7.887 1.00 0.46 C ATOM 957 C TYR A 115 12.959 1.921 -7.955 1.00 0.51 C ATOM 958 O TYR A 115 14.063 1.460 -7.741 1.00 0.54 O ATOM 959 CB TYR A 115 10.911 1.149 -9.198 1.00 0.53 C ATOM 960 CG TYR A 115 11.540 0.267 -10.257 1.00 0.59 C ATOM 961 CD1 TYR A 115 11.403 -1.128 -10.178 1.00 0.56 C ATOM 962 CD2 TYR A 115 12.257 0.840 -11.313 1.00 0.74 C ATOM 963 CE1 TYR A 115 11.985 -1.943 -11.156 1.00 0.65 C ATOM 964 CE2 TYR A 115 12.838 0.024 -12.290 1.00 0.82 C ATOM 965 CZ TYR A 115 12.701 -1.367 -12.211 1.00 0.77 C ATOM 966 OH TYR A 115 13.276 -2.172 -13.172 1.00 0.87 O ATOM 0 H TYR A 115 9.919 1.836 -7.022 1.00 0.40 H new ATOM 0 HA TYR A 115 12.023 0.005 -7.733 1.00 0.46 H new ATOM 0 HB2 TYR A 115 9.874 0.854 -9.035 1.00 0.53 H new ATOM 0 HB3 TYR A 115 10.898 2.185 -9.536 1.00 0.53 H new ATOM 0 HD1 TYR A 115 10.849 -1.572 -9.364 1.00 0.56 H new ATOM 0 HD2 TYR A 115 12.362 1.913 -11.374 1.00 0.74 H new ATOM 0 HE1 TYR A 115 11.881 -3.016 -11.096 1.00 0.65 H new ATOM 0 HE2 TYR A 115 13.392 0.467 -13.105 1.00 0.82 H new ATOM 0 HH TYR A 115 13.735 -1.614 -13.834 1.00 0.87 H new ATOM 976 N HIS A 116 12.802 3.180 -8.276 1.00 0.58 N ATOM 977 CA HIS A 116 13.989 4.090 -8.389 1.00 0.67 C ATOM 978 C HIS A 116 14.735 4.191 -7.054 1.00 0.67 C ATOM 979 O HIS A 116 15.628 5.002 -6.906 1.00 0.81 O ATOM 980 CB HIS A 116 13.515 5.485 -8.799 1.00 0.79 C ATOM 981 CG HIS A 116 12.815 5.410 -10.127 1.00 1.20 C ATOM 982 ND1 HIS A 116 12.295 4.226 -10.623 1.00 1.99 N ATOM 983 CD2 HIS A 116 12.536 6.368 -11.072 1.00 2.05 C ATOM 984 CE1 HIS A 116 11.732 4.497 -11.815 1.00 2.71 C ATOM 985 NE2 HIS A 116 11.851 5.789 -12.137 1.00 2.74 N ATOM 0 H HIS A 116 11.902 3.621 -8.466 1.00 0.58 H new ATOM 0 HA HIS A 116 14.667 3.680 -9.137 1.00 0.67 H new ATOM 0 HB2 HIS A 116 12.840 5.888 -8.043 1.00 0.79 H new ATOM 0 HB3 HIS A 116 14.365 6.165 -8.862 1.00 0.79 H new ATOM 0 HD2 HIS A 116 12.807 7.411 -11.000 1.00 2.05 H new ATOM 0 HE1 HIS A 116 11.244 3.760 -12.436 1.00 2.71 H new ATOM 0 HE2 HIS A 116 11.513 6.251 -12.981 1.00 2.74 H new ATOM 993 N THR A 117 14.381 3.385 -6.083 1.00 0.63 N ATOM 994 CA THR A 117 15.075 3.438 -4.752 1.00 0.68 C ATOM 995 C THR A 117 15.597 2.046 -4.385 1.00 0.66 C ATOM 996 O THR A 117 16.779 1.777 -4.462 1.00 0.73 O ATOM 997 CB THR A 117 14.087 3.916 -3.688 1.00 0.80 C ATOM 998 OG1 THR A 117 12.948 3.067 -3.681 1.00 0.85 O ATOM 999 CG2 THR A 117 13.660 5.349 -4.007 1.00 0.91 C ATOM 0 H THR A 117 13.639 2.689 -6.152 1.00 0.63 H new ATOM 0 HA THR A 117 15.916 4.130 -4.806 1.00 0.68 H new ATOM 0 HB THR A 117 14.561 3.887 -2.707 1.00 0.80 H new ATOM 0 HG1 THR A 117 12.186 3.539 -4.077 1.00 0.85 H new ATOM 0 HG21 THR A 117 12.955 5.695 -3.251 1.00 0.91 H new ATOM 0 HG22 THR A 117 14.536 5.997 -4.010 1.00 0.91 H new ATOM 0 HG23 THR A 117 13.184 5.377 -4.987 1.00 0.91 H new ATOM 1007 N GLN A 118 14.726 1.162 -3.979 1.00 0.73 N ATOM 1008 CA GLN A 118 15.175 -0.210 -3.599 1.00 0.83 C ATOM 1009 C GLN A 118 15.352 -1.059 -4.860 1.00 0.72 C ATOM 1010 O GLN A 118 16.260 -1.861 -4.955 1.00 0.91 O ATOM 1011 CB GLN A 118 14.122 -0.845 -2.690 1.00 1.06 C ATOM 1012 CG GLN A 118 13.691 0.167 -1.626 1.00 1.48 C ATOM 1013 CD GLN A 118 12.884 -0.544 -0.538 1.00 2.12 C ATOM 1014 OE1 GLN A 118 13.047 -0.266 0.634 1.00 2.89 O ATOM 1015 NE2 GLN A 118 12.015 -1.456 -0.878 1.00 2.13 N ATOM 0 H GLN A 118 13.723 1.330 -3.894 1.00 0.73 H new ATOM 0 HA GLN A 118 16.127 -0.155 -3.071 1.00 0.83 H new ATOM 0 HB2 GLN A 118 13.260 -1.160 -3.278 1.00 1.06 H new ATOM 0 HB3 GLN A 118 14.527 -1.738 -2.215 1.00 1.06 H new ATOM 0 HG2 GLN A 118 14.567 0.645 -1.189 1.00 1.48 H new ATOM 0 HG3 GLN A 118 13.091 0.955 -2.081 1.00 1.48 H new ATOM 0 HE21 GLN A 118 11.879 -1.689 -1.862 1.00 2.13 H new ATOM 0 HE22 GLN A 118 11.472 -1.936 -0.160 1.00 2.13 H new ATOM 1024 N GLY A 119 14.503 -0.880 -5.833 1.00 0.86 N ATOM 1025 CA GLY A 119 14.631 -1.664 -7.098 1.00 0.85 C ATOM 1026 C GLY A 119 13.914 -3.011 -6.973 1.00 0.65 C ATOM 1027 O GLY A 119 14.115 -3.899 -7.777 1.00 0.67 O ATOM 0 H GLY A 119 13.723 -0.223 -5.809 1.00 0.86 H new ATOM 0 HA2 GLY A 119 14.209 -1.097 -7.928 1.00 0.85 H new ATOM 0 HA3 GLY A 119 15.684 -1.827 -7.326 1.00 0.85 H new ATOM 1031 N TYR A 120 13.073 -3.176 -5.991 1.00 0.54 N ATOM 1032 CA TYR A 120 12.353 -4.473 -5.861 1.00 0.44 C ATOM 1033 C TYR A 120 11.262 -4.523 -6.931 1.00 0.49 C ATOM 1034 O TYR A 120 10.507 -3.588 -7.105 1.00 0.70 O ATOM 1035 CB TYR A 120 11.724 -4.586 -4.464 1.00 0.48 C ATOM 1036 CG TYR A 120 12.770 -5.034 -3.463 1.00 0.52 C ATOM 1037 CD1 TYR A 120 13.335 -6.311 -3.568 1.00 0.58 C ATOM 1038 CD2 TYR A 120 13.175 -4.175 -2.434 1.00 0.60 C ATOM 1039 CE1 TYR A 120 14.303 -6.727 -2.646 1.00 0.71 C ATOM 1040 CE2 TYR A 120 14.143 -4.592 -1.513 1.00 0.71 C ATOM 1041 CZ TYR A 120 14.706 -5.868 -1.618 1.00 0.75 C ATOM 1042 OH TYR A 120 15.663 -6.278 -0.714 1.00 0.91 O ATOM 0 H TYR A 120 12.854 -2.478 -5.280 1.00 0.54 H new ATOM 0 HA TYR A 120 13.047 -5.303 -5.994 1.00 0.44 H new ATOM 0 HB2 TYR A 120 11.309 -3.624 -4.164 1.00 0.48 H new ATOM 0 HB3 TYR A 120 10.898 -5.297 -4.484 1.00 0.48 H new ATOM 0 HD1 TYR A 120 13.024 -6.975 -4.361 1.00 0.58 H new ATOM 0 HD2 TYR A 120 12.740 -3.190 -2.351 1.00 0.60 H new ATOM 0 HE1 TYR A 120 14.739 -7.712 -2.728 1.00 0.71 H new ATOM 0 HE2 TYR A 120 14.455 -3.928 -0.721 1.00 0.71 H new ATOM 0 HH TYR A 120 15.829 -5.562 -0.066 1.00 0.91 H new ATOM 1052 N PHE A 121 11.180 -5.600 -7.659 1.00 0.48 N ATOM 1053 CA PHE A 121 10.146 -5.694 -8.726 1.00 0.57 C ATOM 1054 C PHE A 121 8.762 -5.869 -8.074 1.00 0.55 C ATOM 1055 O PHE A 121 8.624 -6.609 -7.120 1.00 0.59 O ATOM 1056 CB PHE A 121 10.448 -6.899 -9.622 1.00 0.68 C ATOM 1057 CG PHE A 121 10.842 -8.084 -8.771 1.00 1.42 C ATOM 1058 CD1 PHE A 121 9.855 -8.869 -8.169 1.00 2.32 C ATOM 1059 CD2 PHE A 121 12.195 -8.397 -8.587 1.00 2.33 C ATOM 1060 CE1 PHE A 121 10.216 -9.969 -7.380 1.00 3.44 C ATOM 1061 CE2 PHE A 121 12.557 -9.497 -7.798 1.00 3.43 C ATOM 1062 CZ PHE A 121 11.568 -10.283 -7.196 1.00 3.85 C ATOM 0 H PHE A 121 11.782 -6.417 -7.562 1.00 0.48 H new ATOM 0 HA PHE A 121 10.154 -4.786 -9.328 1.00 0.57 H new ATOM 0 HB2 PHE A 121 9.572 -7.146 -10.222 1.00 0.68 H new ATOM 0 HB3 PHE A 121 11.252 -6.655 -10.316 1.00 0.68 H new ATOM 0 HD1 PHE A 121 8.812 -8.627 -8.312 1.00 2.32 H new ATOM 0 HD2 PHE A 121 12.958 -7.791 -9.053 1.00 2.33 H new ATOM 0 HE1 PHE A 121 9.452 -10.574 -6.914 1.00 3.44 H new ATOM 0 HE2 PHE A 121 13.600 -9.738 -7.654 1.00 3.43 H new ATOM 0 HZ PHE A 121 11.848 -11.132 -6.590 1.00 3.85 H new ATOM 1072 N PRO A 122 7.737 -5.200 -8.564 1.00 0.64 N ATOM 1073 CA PRO A 122 6.368 -5.315 -7.981 1.00 0.67 C ATOM 1074 C PRO A 122 5.638 -6.592 -8.414 1.00 0.73 C ATOM 1075 O PRO A 122 5.069 -6.667 -9.484 1.00 1.19 O ATOM 1076 CB PRO A 122 5.653 -4.076 -8.525 1.00 0.80 C ATOM 1077 CG PRO A 122 6.280 -3.847 -9.860 1.00 1.05 C ATOM 1078 CD PRO A 122 7.749 -4.264 -9.711 1.00 0.87 C ATOM 0 HA PRO A 122 6.395 -5.372 -6.893 1.00 0.67 H new ATOM 0 HB2 PRO A 122 4.579 -4.242 -8.613 1.00 0.80 H new ATOM 0 HB3 PRO A 122 5.790 -3.217 -7.868 1.00 0.80 H new ATOM 0 HG2 PRO A 122 5.783 -4.436 -10.631 1.00 1.05 H new ATOM 0 HG3 PRO A 122 6.199 -2.801 -10.156 1.00 1.05 H new ATOM 0 HD2 PRO A 122 8.122 -4.745 -10.615 1.00 0.87 H new ATOM 0 HD3 PRO A 122 8.391 -3.404 -9.519 1.00 0.87 H new ATOM 1086 N ASP A 123 5.630 -7.579 -7.568 1.00 0.56 N ATOM 1087 CA ASP A 123 4.917 -8.849 -7.880 1.00 0.64 C ATOM 1088 C ASP A 123 4.525 -9.483 -6.549 1.00 0.58 C ATOM 1089 O ASP A 123 4.281 -10.669 -6.447 1.00 0.65 O ATOM 1090 CB ASP A 123 5.833 -9.797 -8.670 1.00 0.74 C ATOM 1091 CG ASP A 123 6.943 -10.339 -7.765 1.00 0.77 C ATOM 1092 OD1 ASP A 123 7.219 -9.711 -6.757 1.00 1.38 O ATOM 1093 OD2 ASP A 123 7.497 -11.374 -8.097 1.00 1.27 O ATOM 0 H ASP A 123 6.093 -7.562 -6.660 1.00 0.56 H new ATOM 0 HA ASP A 123 4.036 -8.655 -8.492 1.00 0.64 H new ATOM 0 HB2 ASP A 123 5.249 -10.623 -9.076 1.00 0.74 H new ATOM 0 HB3 ASP A 123 6.270 -9.269 -9.517 1.00 0.74 H new ATOM 1098 N TRP A 124 4.485 -8.674 -5.521 1.00 0.53 N ATOM 1099 CA TRP A 124 4.138 -9.162 -4.156 1.00 0.52 C ATOM 1100 C TRP A 124 2.921 -8.403 -3.651 1.00 0.51 C ATOM 1101 O TRP A 124 2.216 -8.834 -2.760 1.00 0.55 O ATOM 1102 CB TRP A 124 5.323 -8.880 -3.234 1.00 0.49 C ATOM 1103 CG TRP A 124 5.761 -7.462 -3.445 1.00 0.43 C ATOM 1104 CD1 TRP A 124 6.595 -7.037 -4.427 1.00 0.44 C ATOM 1105 CD2 TRP A 124 5.387 -6.276 -2.690 1.00 0.42 C ATOM 1106 NE1 TRP A 124 6.760 -5.669 -4.312 1.00 0.42 N ATOM 1107 CE2 TRP A 124 6.034 -5.154 -3.261 1.00 0.41 C ATOM 1108 CE3 TRP A 124 4.557 -6.064 -1.573 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 5.865 -3.871 -2.745 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 4.384 -4.772 -1.053 1.00 0.58 C ATOM 1111 CH2 TRP A 124 5.036 -3.679 -1.638 1.00 0.55 C ATOM 0 H TRP A 124 4.683 -7.675 -5.574 1.00 0.53 H new ATOM 0 HA TRP A 124 3.918 -10.229 -4.177 1.00 0.52 H new ATOM 0 HB2 TRP A 124 5.040 -9.038 -2.193 1.00 0.49 H new ATOM 0 HB3 TRP A 124 6.142 -9.566 -3.449 1.00 0.49 H new ATOM 0 HD1 TRP A 124 7.055 -7.665 -5.176 1.00 0.44 H new ATOM 0 HE1 TRP A 124 7.348 -5.110 -4.930 1.00 0.42 H new ATOM 0 HE3 TRP A 124 4.051 -6.900 -1.114 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 6.371 -3.031 -3.198 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 3.744 -4.620 -0.196 1.00 0.58 H new ATOM 0 HH2 TRP A 124 4.897 -2.688 -1.233 1.00 0.55 H new ATOM 1122 N GLN A 125 2.683 -7.269 -4.223 1.00 0.53 N ATOM 1123 CA GLN A 125 1.521 -6.439 -3.804 1.00 0.60 C ATOM 1124 C GLN A 125 0.233 -7.029 -4.384 1.00 0.66 C ATOM 1125 O GLN A 125 0.009 -7.010 -5.578 1.00 0.84 O ATOM 1126 CB GLN A 125 1.711 -5.001 -4.310 1.00 0.69 C ATOM 1127 CG GLN A 125 2.309 -5.015 -5.730 1.00 1.56 C ATOM 1128 CD GLN A 125 3.835 -5.107 -5.653 1.00 2.18 C ATOM 1129 OE1 GLN A 125 4.403 -6.165 -5.843 1.00 2.78 O ATOM 1130 NE2 GLN A 125 4.526 -4.036 -5.379 1.00 2.82 N ATOM 0 H GLN A 125 3.247 -6.871 -4.973 1.00 0.53 H new ATOM 0 HA GLN A 125 1.452 -6.431 -2.716 1.00 0.60 H new ATOM 0 HB2 GLN A 125 0.754 -4.479 -4.315 1.00 0.69 H new ATOM 0 HB3 GLN A 125 2.369 -4.453 -3.635 1.00 0.69 H new ATOM 0 HG2 GLN A 125 1.913 -5.861 -6.292 1.00 1.56 H new ATOM 0 HG3 GLN A 125 2.017 -4.112 -6.266 1.00 1.56 H new ATOM 0 HE21 GLN A 125 4.049 -3.148 -5.220 1.00 2.82 H new ATOM 0 HE22 GLN A 125 5.543 -4.086 -5.324 1.00 2.82 H new ATOM 1139 N ASN A 126 -0.621 -7.548 -3.547 1.00 0.64 N ATOM 1140 CA ASN A 126 -1.898 -8.135 -4.046 1.00 0.72 C ATOM 1141 C ASN A 126 -2.944 -8.083 -2.932 1.00 0.69 C ATOM 1142 O ASN A 126 -2.645 -7.754 -1.801 1.00 1.22 O ATOM 1143 CB ASN A 126 -1.663 -9.588 -4.460 1.00 0.84 C ATOM 1144 CG ASN A 126 -0.891 -9.626 -5.780 1.00 0.89 C ATOM 1145 OD1 ASN A 126 0.399 -9.420 -5.773 1.00 1.53 O flip ATOM 1146 ND2 ASN A 126 -1.464 -9.844 -6.830 1.00 0.88 N flip ATOM 0 H ASN A 126 -0.490 -7.592 -2.536 1.00 0.64 H new ATOM 0 HA ASN A 126 -2.252 -7.567 -4.907 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -1.104 -10.112 -3.685 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -2.617 -10.104 -4.570 1.00 0.84 H new ATOM 0 HD21 ASN A 126 -2.471 -10.005 -6.837 1.00 0.88 H new ATOM 0 HD22 ASN A 126 -0.938 -9.866 -7.703 1.00 0.88 H new ATOM 1153 N TYR A 127 -4.171 -8.403 -3.242 1.00 0.69 N ATOM 1154 CA TYR A 127 -5.249 -8.371 -2.205 1.00 0.61 C ATOM 1155 C TYR A 127 -6.441 -9.192 -2.712 1.00 0.63 C ATOM 1156 O TYR A 127 -6.473 -9.617 -3.850 1.00 0.75 O ATOM 1157 CB TYR A 127 -5.710 -6.916 -1.942 1.00 0.65 C ATOM 1158 CG TYR A 127 -4.558 -5.951 -2.103 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -4.193 -5.507 -3.380 1.00 0.93 C ATOM 1160 CD2 TYR A 127 -3.856 -5.501 -0.979 1.00 0.98 C ATOM 1161 CE1 TYR A 127 -3.124 -4.614 -3.532 1.00 1.14 C ATOM 1162 CE2 TYR A 127 -2.788 -4.609 -1.130 1.00 1.19 C ATOM 1163 CZ TYR A 127 -2.423 -4.166 -2.406 1.00 1.23 C ATOM 1164 OH TYR A 127 -1.370 -3.284 -2.554 1.00 1.48 O ATOM 0 H TYR A 127 -4.477 -8.687 -4.173 1.00 0.69 H new ATOM 0 HA TYR A 127 -4.863 -8.788 -1.275 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -6.510 -6.653 -2.634 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -6.120 -6.836 -0.935 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -4.735 -5.853 -4.248 1.00 0.93 H new ATOM 0 HD2 TYR A 127 -4.139 -5.842 0.006 1.00 0.98 H new ATOM 0 HE1 TYR A 127 -2.841 -4.272 -4.517 1.00 1.14 H new ATOM 0 HE2 TYR A 127 -2.246 -4.263 -0.262 1.00 1.19 H new ATOM 0 HH TYR A 127 -1.523 -2.721 -3.342 1.00 1.48 H new ATOM 1174 N THR A 128 -7.420 -9.421 -1.879 1.00 0.62 N ATOM 1175 CA THR A 128 -8.600 -10.214 -2.324 1.00 0.68 C ATOM 1176 C THR A 128 -9.318 -9.456 -3.454 1.00 0.75 C ATOM 1177 O THR A 128 -9.336 -8.242 -3.463 1.00 0.97 O ATOM 1178 CB THR A 128 -9.562 -10.401 -1.148 1.00 0.86 C ATOM 1179 OG1 THR A 128 -9.779 -9.149 -0.513 1.00 1.22 O ATOM 1180 CG2 THR A 128 -8.961 -11.387 -0.146 1.00 0.90 C ATOM 0 H THR A 128 -7.453 -9.094 -0.913 1.00 0.62 H new ATOM 0 HA THR A 128 -8.273 -11.190 -2.683 1.00 0.68 H new ATOM 0 HB THR A 128 -10.511 -10.793 -1.513 1.00 0.86 H new ATOM 0 HG1 THR A 128 -10.396 -9.266 0.239 1.00 1.22 H new ATOM 0 HG21 THR A 128 -9.647 -11.519 0.691 1.00 0.90 H new ATOM 0 HG22 THR A 128 -8.796 -12.347 -0.635 1.00 0.90 H new ATOM 0 HG23 THR A 128 -8.011 -10.999 0.222 1.00 0.90 H new ATOM 1249 N ARG A 134 -10.077 -4.855 2.098 1.00 0.51 N ATOM 1250 CA ARG A 134 -9.235 -5.680 1.186 1.00 0.49 C ATOM 1251 C ARG A 134 -7.953 -6.090 1.924 1.00 0.40 C ATOM 1252 O ARG A 134 -7.071 -5.286 2.154 1.00 0.38 O ATOM 1253 CB ARG A 134 -8.899 -4.860 -0.082 1.00 0.58 C ATOM 1254 CG ARG A 134 -9.043 -5.736 -1.334 1.00 1.06 C ATOM 1255 CD ARG A 134 -8.656 -4.933 -2.576 1.00 1.37 C ATOM 1256 NE ARG A 134 -9.546 -3.743 -2.694 1.00 1.86 N ATOM 1257 CZ ARG A 134 -9.245 -2.785 -3.526 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -8.182 -2.887 -4.275 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -10.011 -1.732 -3.616 1.00 3.36 N ATOM 0 HA ARG A 134 -9.772 -6.580 0.885 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -9.563 -3.999 -0.154 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -7.882 -4.473 -0.015 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -8.408 -6.617 -1.247 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -10.070 -6.091 -1.425 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -7.615 -4.617 -2.508 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -8.743 -5.555 -3.467 1.00 1.37 H new ATOM 0 HE ARG A 134 -10.390 -3.678 -2.124 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -7.589 -3.714 -4.209 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -7.944 -2.139 -4.927 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -10.846 -1.658 -3.035 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -9.774 -0.983 -4.267 1.00 3.36 H new ATOM 1273 N TYR A 135 -7.851 -7.336 2.303 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.637 -7.804 3.033 1.00 0.39 C ATOM 1275 C TYR A 135 -5.544 -8.188 2.023 1.00 0.36 C ATOM 1276 O TYR A 135 -5.843 -8.634 0.933 1.00 0.39 O ATOM 1277 CB TYR A 135 -7.008 -9.033 3.865 1.00 0.46 C ATOM 1278 CG TYR A 135 -8.064 -8.656 4.877 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -9.407 -8.568 4.490 1.00 0.72 C ATOM 1280 CD2 TYR A 135 -7.699 -8.395 6.203 1.00 0.66 C ATOM 1281 CE1 TYR A 135 -10.385 -8.221 5.430 1.00 0.91 C ATOM 1282 CE2 TYR A 135 -8.677 -8.047 7.143 1.00 0.85 C ATOM 1283 CZ TYR A 135 -10.020 -7.960 6.757 1.00 0.92 C ATOM 1284 OH TYR A 135 -10.982 -7.618 7.686 1.00 1.17 O ATOM 0 H TYR A 135 -8.558 -8.052 2.138 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.266 -7.009 3.680 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -7.378 -9.827 3.216 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -6.125 -9.422 4.372 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -9.688 -8.768 3.467 1.00 0.72 H new ATOM 0 HD2 TYR A 135 -6.663 -8.462 6.501 1.00 0.66 H new ATOM 0 HE1 TYR A 135 -11.421 -8.155 5.132 1.00 0.91 H new ATOM 0 HE2 TYR A 135 -8.395 -7.846 8.166 1.00 0.85 H new ATOM 0 HH TYR A 135 -10.558 -7.472 8.557 1.00 1.17 H new ATOM 1294 N PRO A 136 -4.287 -8.033 2.374 1.00 0.37 N ATOM 1295 CA PRO A 136 -3.156 -8.393 1.466 1.00 0.38 C ATOM 1296 C PRO A 136 -2.977 -9.911 1.370 1.00 0.37 C ATOM 1297 O PRO A 136 -2.774 -10.585 2.360 1.00 0.38 O ATOM 1298 CB PRO A 136 -1.940 -7.735 2.132 1.00 0.42 C ATOM 1299 CG PRO A 136 -2.278 -7.704 3.587 1.00 0.51 C ATOM 1300 CD PRO A 136 -3.796 -7.505 3.663 1.00 0.44 C ATOM 0 HA PRO A 136 -3.315 -8.057 0.442 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -1.030 -8.306 1.949 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -1.770 -6.731 1.743 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -1.981 -8.631 4.077 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -1.752 -6.894 4.093 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.228 -8.044 4.506 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -4.056 -6.454 3.789 1.00 0.44 H new ATOM 1308 N LEU A 137 -3.054 -10.453 0.188 1.00 0.40 N ATOM 1309 CA LEU A 137 -2.893 -11.925 0.033 1.00 0.43 C ATOM 1310 C LEU A 137 -1.501 -12.337 0.522 1.00 0.41 C ATOM 1311 O LEU A 137 -1.353 -13.260 1.298 1.00 0.38 O ATOM 1312 CB LEU A 137 -3.058 -12.298 -1.449 1.00 0.51 C ATOM 1313 CG LEU A 137 -4.553 -12.383 -1.817 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -4.718 -12.219 -3.330 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -5.138 -13.741 -1.402 1.00 0.92 C ATOM 0 H LEU A 137 -3.221 -9.941 -0.678 1.00 0.40 H new ATOM 0 HA LEU A 137 -3.648 -12.445 0.622 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -2.564 -11.555 -2.075 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -2.573 -13.254 -1.646 1.00 0.51 H new ATOM 0 HG LEU A 137 -5.082 -11.589 -1.290 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -5.775 -12.279 -3.589 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -4.324 -11.250 -3.636 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -4.173 -13.011 -3.843 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -6.194 -13.780 -1.671 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -4.603 -14.540 -1.916 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -5.033 -13.868 -0.325 1.00 0.92 H new ATOM 1327 N THR A 138 -0.480 -11.664 0.072 1.00 0.50 N ATOM 1328 CA THR A 138 0.900 -12.022 0.506 1.00 0.55 C ATOM 1329 C THR A 138 1.061 -11.744 2.004 1.00 0.47 C ATOM 1330 O THR A 138 0.376 -10.917 2.573 1.00 0.50 O ATOM 1331 CB THR A 138 1.917 -11.197 -0.299 1.00 0.73 C ATOM 1332 OG1 THR A 138 1.380 -9.906 -0.548 1.00 0.98 O ATOM 1333 CG2 THR A 138 2.210 -11.893 -1.631 1.00 1.04 C ATOM 0 H THR A 138 -0.541 -10.881 -0.578 1.00 0.50 H new ATOM 0 HA THR A 138 1.076 -13.082 0.326 1.00 0.55 H new ATOM 0 HB THR A 138 2.842 -11.107 0.270 1.00 0.73 H new ATOM 0 HG1 THR A 138 1.883 -9.476 -1.271 1.00 0.98 H new ATOM 0 HG21 THR A 138 2.931 -11.305 -2.198 1.00 1.04 H new ATOM 0 HG22 THR A 138 2.620 -12.885 -1.441 1.00 1.04 H new ATOM 0 HG23 THR A 138 1.287 -11.986 -2.204 1.00 1.04 H new ATOM 1341 N PHE A 139 1.962 -12.443 2.644 1.00 0.51 N ATOM 1342 CA PHE A 139 2.184 -12.248 4.111 1.00 0.49 C ATOM 1343 C PHE A 139 3.352 -11.278 4.343 1.00 0.65 C ATOM 1344 O PHE A 139 4.199 -11.091 3.492 1.00 1.43 O ATOM 1345 CB PHE A 139 2.514 -13.606 4.749 1.00 0.52 C ATOM 1346 CG PHE A 139 2.271 -13.557 6.242 1.00 0.50 C ATOM 1347 CD1 PHE A 139 1.010 -13.883 6.756 1.00 0.67 C ATOM 1348 CD2 PHE A 139 3.308 -13.195 7.110 1.00 0.59 C ATOM 1349 CE1 PHE A 139 0.786 -13.846 8.137 1.00 0.77 C ATOM 1350 CE2 PHE A 139 3.082 -13.158 8.492 1.00 0.62 C ATOM 1351 CZ PHE A 139 1.821 -13.485 9.007 1.00 0.66 C ATOM 0 H PHE A 139 2.559 -13.147 2.211 1.00 0.51 H new ATOM 0 HA PHE A 139 1.283 -11.831 4.562 1.00 0.49 H new ATOM 0 HB2 PHE A 139 1.900 -14.386 4.299 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.554 -13.865 4.551 1.00 0.52 H new ATOM 0 HD1 PHE A 139 0.210 -14.163 6.087 1.00 0.67 H new ATOM 0 HD2 PHE A 139 4.281 -12.945 6.715 1.00 0.59 H new ATOM 0 HE1 PHE A 139 -0.187 -14.097 8.532 1.00 0.77 H new ATOM 0 HE2 PHE A 139 3.881 -12.877 9.162 1.00 0.62 H new ATOM 0 HZ PHE A 139 1.648 -13.459 10.073 1.00 0.66 H new ATOM 1361 N GLY A 140 3.397 -10.662 5.495 1.00 0.46 N ATOM 1362 CA GLY A 140 4.499 -9.704 5.811 1.00 0.43 C ATOM 1363 C GLY A 140 3.992 -8.280 5.606 1.00 0.35 C ATOM 1364 O GLY A 140 4.166 -7.413 6.438 1.00 0.32 O ATOM 0 H GLY A 140 2.710 -10.783 6.239 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.833 -9.840 6.839 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.359 -9.894 5.169 1.00 0.43 H new ATOM 1368 N TRP A 141 3.343 -8.046 4.506 1.00 0.34 N ATOM 1369 CA TRP A 141 2.786 -6.690 4.231 1.00 0.29 C ATOM 1370 C TRP A 141 1.528 -6.537 5.081 1.00 0.32 C ATOM 1371 O TRP A 141 0.469 -7.028 4.746 1.00 0.40 O ATOM 1372 CB TRP A 141 2.487 -6.595 2.729 1.00 0.33 C ATOM 1373 CG TRP A 141 2.536 -5.181 2.218 1.00 0.31 C ATOM 1374 CD1 TRP A 141 1.625 -4.681 1.355 1.00 0.35 C ATOM 1375 CD2 TRP A 141 3.501 -4.088 2.466 1.00 0.28 C ATOM 1376 NE1 TRP A 141 1.950 -3.377 1.056 1.00 0.33 N ATOM 1377 CE2 TRP A 141 3.080 -2.959 1.713 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.676 -3.943 3.252 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 3.777 -1.754 1.730 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 5.374 -2.721 3.266 1.00 0.31 C ATOM 1381 CH2 TRP A 141 4.923 -1.632 2.508 1.00 0.33 C ATOM 0 H TRP A 141 3.171 -8.738 3.777 1.00 0.34 H new ATOM 0 HA TRP A 141 3.479 -5.888 4.486 1.00 0.29 H new ATOM 0 HB2 TRP A 141 3.207 -7.201 2.180 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.501 -7.015 2.531 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.775 -5.219 0.962 1.00 0.35 H new ATOM 0 HE1 TRP A 141 1.412 -2.789 0.419 1.00 0.33 H new ATOM 0 HE3 TRP A 141 5.035 -4.774 3.841 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 3.429 -0.918 1.142 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 6.266 -2.622 3.867 1.00 0.31 H new ATOM 0 HH2 TRP A 141 5.465 -0.698 2.528 1.00 0.33 H new ATOM 1392 N CYS A 142 1.666 -5.915 6.221 1.00 0.31 N ATOM 1393 CA CYS A 142 0.511 -5.784 7.156 1.00 0.40 C ATOM 1394 C CYS A 142 -0.376 -4.580 6.842 1.00 0.39 C ATOM 1395 O CYS A 142 -0.771 -3.868 7.744 1.00 0.48 O ATOM 1396 CB CYS A 142 1.047 -5.636 8.572 1.00 0.47 C ATOM 1397 SG CYS A 142 1.903 -7.152 9.060 1.00 1.45 S ATOM 0 H CYS A 142 2.534 -5.490 6.547 1.00 0.31 H new ATOM 0 HA CYS A 142 -0.102 -6.679 7.045 1.00 0.40 H new ATOM 0 HB2 CYS A 142 1.729 -4.788 8.626 1.00 0.47 H new ATOM 0 HB3 CYS A 142 0.228 -5.431 9.262 1.00 0.47 H new ATOM 0 HG CYS A 142 2.818 -7.436 8.181 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.719 -4.347 5.599 1.00 0.38 N ATOM 1404 CA TYR A 143 -1.616 -3.181 5.279 1.00 0.40 C ATOM 1405 C TYR A 143 -2.852 -3.703 4.530 1.00 0.43 C ATOM 1406 O TYR A 143 -2.747 -4.474 3.596 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.852 -2.139 4.413 1.00 0.55 C ATOM 1408 CG TYR A 143 -1.586 -1.840 3.114 1.00 1.43 C ATOM 1409 CD1 TYR A 143 -2.839 -1.213 3.152 1.00 2.17 C ATOM 1410 CD2 TYR A 143 -1.015 -2.175 1.887 1.00 2.16 C ATOM 1411 CE1 TYR A 143 -3.513 -0.925 1.963 1.00 3.14 C ATOM 1412 CE2 TYR A 143 -1.689 -1.890 0.694 1.00 3.14 C ATOM 1413 CZ TYR A 143 -2.939 -1.263 0.731 1.00 3.52 C ATOM 1414 OH TYR A 143 -3.602 -0.977 -0.444 1.00 4.57 O ATOM 0 H TYR A 143 -0.423 -4.904 4.797 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.929 -2.689 6.200 1.00 0.40 H new ATOM 0 HB2 TYR A 143 -0.726 -1.217 4.980 1.00 0.55 H new ATOM 0 HB3 TYR A 143 0.146 -2.514 4.189 1.00 0.55 H new ATOM 0 HD1 TYR A 143 -3.284 -0.952 4.101 1.00 2.17 H new ATOM 0 HD2 TYR A 143 -0.049 -2.656 1.857 1.00 2.16 H new ATOM 0 HE1 TYR A 143 -4.478 -0.441 1.994 1.00 3.14 H new ATOM 0 HE2 TYR A 143 -1.245 -2.154 -0.254 1.00 3.14 H new ATOM 0 HH TYR A 143 -3.063 -1.277 -1.205 1.00 4.57 H new ATOM 1424 N LYS A 144 -4.014 -3.260 4.928 1.00 0.39 N ATOM 1425 CA LYS A 144 -5.275 -3.679 4.247 1.00 0.51 C ATOM 1426 C LYS A 144 -6.099 -2.425 3.940 1.00 0.43 C ATOM 1427 O LYS A 144 -6.179 -1.519 4.747 1.00 0.45 O ATOM 1428 CB LYS A 144 -6.059 -4.601 5.177 1.00 0.70 C ATOM 1429 CG LYS A 144 -6.248 -3.921 6.534 1.00 1.21 C ATOM 1430 CD LYS A 144 -6.942 -4.888 7.493 1.00 1.24 C ATOM 1431 CE LYS A 144 -6.986 -4.275 8.894 1.00 1.57 C ATOM 1432 NZ LYS A 144 -7.691 -2.964 8.841 1.00 2.32 N ATOM 0 H LYS A 144 -4.146 -2.616 5.708 1.00 0.39 H new ATOM 0 HA LYS A 144 -5.053 -4.209 3.321 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -7.029 -4.837 4.739 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -5.528 -5.545 5.303 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -5.282 -3.619 6.940 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -6.843 -3.015 6.420 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -7.953 -5.099 7.145 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -6.409 -5.838 7.517 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -7.499 -4.948 9.581 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -5.974 -4.140 9.276 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -7.856 -2.619 9.808 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -7.107 -2.277 8.323 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -8.603 -3.080 8.354 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.710 -2.351 2.788 1.00 0.40 N ATOM 1447 CA LEU A 145 -7.514 -1.137 2.467 1.00 0.37 C ATOM 1448 C LEU A 145 -8.789 -1.154 3.316 1.00 0.38 C ATOM 1449 O LEU A 145 -9.332 -2.199 3.607 1.00 0.41 O ATOM 1450 CB LEU A 145 -7.886 -1.126 0.973 1.00 0.42 C ATOM 1451 CG LEU A 145 -6.633 -0.923 0.095 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -6.928 -1.414 -1.325 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -6.244 0.572 0.029 1.00 0.52 C ATOM 0 H LEU A 145 -6.688 -3.069 2.064 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.930 -0.243 2.686 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -8.372 -2.065 0.708 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -8.604 -0.329 0.779 1.00 0.42 H new ATOM 0 HG LEU A 145 -5.809 -1.486 0.534 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -6.046 -1.273 -1.949 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -7.187 -2.472 -1.297 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -7.761 -0.847 -1.740 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -5.358 0.690 -0.595 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -7.068 1.144 -0.398 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -6.031 0.937 1.034 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.265 -0.001 3.719 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.498 0.064 4.564 1.00 0.50 C ATOM 1467 C VAL A 146 -11.135 1.454 4.377 1.00 0.59 C ATOM 1468 O VAL A 146 -10.439 2.449 4.396 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.118 -0.089 6.052 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -11.381 -0.112 6.920 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -9.346 -1.390 6.284 1.00 0.56 C ATOM 0 H VAL A 146 -8.849 0.904 3.497 1.00 0.43 H new ATOM 0 HA VAL A 146 -11.185 -0.731 4.273 1.00 0.50 H new ATOM 0 HB VAL A 146 -9.491 0.760 6.325 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -11.101 -0.220 7.968 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -11.931 0.819 6.786 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.010 -0.951 6.624 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -9.088 -1.477 7.340 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -9.965 -2.238 5.991 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -8.434 -1.383 5.687 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.438 1.542 4.203 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.119 2.858 4.021 1.00 0.81 C ATOM 1483 C PRO A 147 -13.208 3.647 5.332 1.00 0.91 C ATOM 1484 O PRO A 147 -13.045 3.110 6.409 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.515 2.474 3.515 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.769 1.125 4.103 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.407 0.425 4.154 1.00 0.75 C ATOM 0 HA PRO A 147 -12.577 3.511 3.336 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.266 3.195 3.837 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -14.548 2.445 2.426 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.202 1.209 5.100 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -15.476 0.561 3.494 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.320 -0.218 5.030 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -13.248 -0.205 3.279 1.00 0.75 H new ATOM 1780 N LEU A 181 -10.579 4.028 -1.129 1.00 0.58 N ATOM 1781 CA LEU A 181 -10.183 3.493 0.231 1.00 0.52 C ATOM 1782 C LEU A 181 -8.833 4.067 0.682 1.00 0.47 C ATOM 1783 O LEU A 181 -8.151 4.712 -0.077 1.00 0.51 O ATOM 1784 CB LEU A 181 -10.062 1.968 0.144 1.00 0.60 C ATOM 1785 CG LEU A 181 -11.403 1.344 -0.312 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -11.141 0.050 -1.094 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -12.267 1.013 0.911 1.00 0.87 C ATOM 0 HA LEU A 181 -10.945 3.786 0.954 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -9.272 1.699 -0.557 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -9.777 1.564 1.115 1.00 0.60 H new ATOM 0 HG LEU A 181 -11.921 2.061 -0.949 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -12.090 -0.382 -1.411 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -10.532 0.272 -1.971 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -10.614 -0.660 -0.457 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -13.209 0.574 0.583 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -11.739 0.304 1.548 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -12.468 1.926 1.472 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.452 3.838 1.929 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.140 4.364 2.457 1.00 0.45 C ATOM 1801 C GLU A 182 -6.217 3.229 2.946 1.00 0.42 C ATOM 1802 O GLU A 182 -6.649 2.130 3.233 1.00 0.43 O ATOM 1803 CB GLU A 182 -7.422 5.340 3.616 1.00 0.49 C ATOM 1804 CG GLU A 182 -7.698 4.571 4.917 1.00 0.56 C ATOM 1805 CD GLU A 182 -8.312 5.519 5.950 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -7.753 6.584 6.153 1.00 1.49 O ATOM 1807 OE2 GLU A 182 -9.330 5.162 6.521 1.00 1.62 O ATOM 0 H GLU A 182 -8.999 3.306 2.606 1.00 0.45 H new ATOM 0 HA GLU A 182 -6.626 4.875 1.643 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -6.569 6.005 3.754 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -8.279 5.968 3.370 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -8.375 3.739 4.724 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -6.772 4.145 5.304 1.00 0.56 H new ATOM 1814 N TRP A 183 -4.937 3.524 3.058 1.00 0.40 N ATOM 1815 CA TRP A 183 -3.944 2.516 3.548 1.00 0.38 C ATOM 1816 C TRP A 183 -4.097 2.358 5.066 1.00 0.37 C ATOM 1817 O TRP A 183 -3.797 3.265 5.813 1.00 0.43 O ATOM 1818 CB TRP A 183 -2.506 3.014 3.253 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.008 2.539 1.921 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -1.378 1.363 1.709 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.037 3.222 0.635 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -1.040 1.268 0.371 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -1.422 2.392 -0.333 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.540 4.462 0.220 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -1.306 2.786 -1.667 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -2.421 4.866 -1.121 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -1.805 4.029 -2.062 1.00 0.41 C ATOM 0 H TRP A 183 -4.538 4.434 2.826 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.120 1.565 3.045 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -2.487 4.104 3.279 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -1.834 2.665 4.037 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -1.172 0.617 2.463 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -0.567 0.466 -0.044 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -3.022 5.112 0.935 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -0.834 2.135 -2.388 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -2.806 5.827 -1.428 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -1.717 4.345 -3.091 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.529 1.214 5.534 1.00 0.35 N ATOM 1839 CA ARG A 184 -4.665 1.008 7.012 1.00 0.35 C ATOM 1840 C ARG A 184 -3.498 0.143 7.499 1.00 0.31 C ATOM 1841 O ARG A 184 -3.602 -1.066 7.590 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.003 0.307 7.308 1.00 0.40 C ATOM 1843 CG ARG A 184 -6.439 0.573 8.764 1.00 0.98 C ATOM 1844 CD ARG A 184 -7.212 1.897 8.844 1.00 1.51 C ATOM 1845 NE ARG A 184 -7.429 2.272 10.281 1.00 1.57 N ATOM 1846 CZ ARG A 184 -8.071 1.486 11.104 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -8.692 0.428 10.661 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -8.137 1.791 12.372 1.00 2.61 N ATOM 0 H ARG A 184 -4.793 0.414 4.959 1.00 0.35 H new ATOM 0 HA ARG A 184 -4.647 1.967 7.530 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -6.769 0.666 6.621 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -5.904 -0.766 7.142 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -7.064 -0.245 9.121 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -5.564 0.613 9.413 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -6.658 2.684 8.333 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -8.171 1.800 8.335 1.00 1.51 H new ATOM 0 HE ARG A 184 -7.067 3.162 10.623 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -8.679 0.209 9.665 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -9.191 -0.180 11.311 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -7.688 2.640 12.716 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -8.637 1.180 13.018 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.382 0.749 7.798 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.208 -0.048 8.262 1.00 0.31 C ATOM 1864 C PHE A 185 -1.449 -0.573 9.681 1.00 0.31 C ATOM 1865 O PHE A 185 -1.896 0.143 10.555 1.00 0.37 O ATOM 1866 CB PHE A 185 0.057 0.825 8.239 1.00 0.40 C ATOM 1867 CG PHE A 185 1.202 0.121 8.951 1.00 0.44 C ATOM 1868 CD1 PHE A 185 1.578 -1.178 8.575 1.00 0.62 C ATOM 1869 CD2 PHE A 185 1.888 0.769 9.990 1.00 0.65 C ATOM 1870 CE1 PHE A 185 2.633 -1.820 9.233 1.00 0.74 C ATOM 1871 CE2 PHE A 185 2.943 0.123 10.645 1.00 0.75 C ATOM 1872 CZ PHE A 185 3.315 -1.171 10.267 1.00 0.71 C ATOM 0 H PHE A 185 -2.231 1.756 7.742 1.00 0.31 H new ATOM 0 HA PHE A 185 -1.073 -0.896 7.591 1.00 0.31 H new ATOM 0 HB2 PHE A 185 0.339 1.040 7.208 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -0.145 1.782 8.720 1.00 0.40 H new ATOM 0 HD1 PHE A 185 1.053 -1.682 7.777 1.00 0.62 H new ATOM 0 HD2 PHE A 185 1.601 1.768 10.285 1.00 0.65 H new ATOM 0 HE1 PHE A 185 2.921 -2.819 8.942 1.00 0.74 H new ATOM 0 HE2 PHE A 185 3.470 0.624 11.443 1.00 0.75 H new ATOM 0 HZ PHE A 185 4.129 -1.669 10.773 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.141 -1.820 9.909 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.328 -2.420 11.254 1.00 0.32 C ATOM 1884 C ASP A 186 -0.344 -3.587 11.402 1.00 0.30 C ATOM 1885 O ASP A 186 -0.699 -4.736 11.231 1.00 0.32 O ATOM 1886 CB ASP A 186 -2.765 -2.925 11.359 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.154 -3.108 12.830 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -2.659 -2.357 13.653 1.00 1.16 O ATOM 1889 OD2 ASP A 186 -3.944 -3.996 13.108 1.00 1.23 O ATOM 0 H ASP A 186 -0.762 -2.456 9.207 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.143 -1.689 12.041 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.443 -2.218 10.881 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.866 -3.872 10.828 1.00 0.37 H new ATOM 1894 N SER A 187 0.893 -3.284 11.697 1.00 0.33 N ATOM 1895 CA SER A 187 1.939 -4.342 11.839 1.00 0.34 C ATOM 1896 C SER A 187 1.412 -5.522 12.669 1.00 0.35 C ATOM 1897 O SER A 187 2.035 -6.561 12.737 1.00 0.37 O ATOM 1898 CB SER A 187 3.174 -3.727 12.524 1.00 0.40 C ATOM 1899 OG SER A 187 3.326 -4.269 13.831 1.00 1.32 O ATOM 0 H SER A 187 1.229 -2.333 11.848 1.00 0.33 H new ATOM 0 HA SER A 187 2.207 -4.718 10.852 1.00 0.34 H new ATOM 0 HB2 SER A 187 4.067 -3.928 11.932 1.00 0.40 H new ATOM 0 HB3 SER A 187 3.067 -2.644 12.581 1.00 0.40 H new ATOM 0 HG SER A 187 4.191 -3.994 14.200 1.00 1.32 H new ATOM 1905 N ARG A 188 0.278 -5.382 13.297 1.00 0.40 N ATOM 1906 CA ARG A 188 -0.256 -6.516 14.104 1.00 0.46 C ATOM 1907 C ARG A 188 -0.442 -7.718 13.177 1.00 0.42 C ATOM 1908 O ARG A 188 -0.213 -8.851 13.551 1.00 0.43 O ATOM 1909 CB ARG A 188 -1.604 -6.119 14.711 1.00 0.58 C ATOM 1910 CG ARG A 188 -2.070 -7.191 15.700 1.00 1.40 C ATOM 1911 CD ARG A 188 -3.395 -6.754 16.329 1.00 1.75 C ATOM 1912 NE ARG A 188 -3.797 -7.717 17.393 1.00 2.37 N ATOM 1913 CZ ARG A 188 -4.687 -7.365 18.283 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -5.181 -6.158 18.266 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -5.074 -8.213 19.195 1.00 3.87 N ATOM 0 H ARG A 188 -0.298 -4.540 13.288 1.00 0.40 H new ATOM 0 HA ARG A 188 0.435 -6.767 14.909 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -1.515 -5.159 15.219 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -2.345 -5.994 13.921 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -2.194 -8.145 15.188 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -1.318 -7.340 16.475 1.00 1.40 H new ATOM 0 HD2 ARG A 188 -3.294 -5.754 16.751 1.00 1.75 H new ATOM 0 HD3 ARG A 188 -4.170 -6.700 15.564 1.00 1.75 H new ATOM 0 HE ARG A 188 -3.379 -8.647 17.426 1.00 2.37 H new ATOM 0 HH11 ARG A 188 -4.873 -5.491 17.559 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -5.876 -5.881 18.960 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -4.682 -9.154 19.215 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -5.769 -7.935 19.888 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.839 -7.469 11.960 1.00 0.43 N ATOM 1930 CA LEU A 189 -1.024 -8.575 10.981 1.00 0.46 C ATOM 1931 C LEU A 189 0.349 -9.216 10.712 1.00 0.41 C ATOM 1932 O LEU A 189 0.473 -10.170 9.973 1.00 0.46 O ATOM 1933 CB LEU A 189 -1.625 -7.980 9.686 1.00 0.57 C ATOM 1934 CG LEU A 189 -2.616 -8.949 9.008 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -1.893 -10.240 8.620 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -3.810 -9.259 9.939 1.00 1.78 C ATOM 0 H LEU A 189 -1.045 -6.537 11.599 1.00 0.43 H new ATOM 0 HA LEU A 189 -1.700 -9.340 11.362 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -2.135 -7.045 9.920 1.00 0.57 H new ATOM 0 HB3 LEU A 189 -0.821 -7.739 8.991 1.00 0.57 H new ATOM 0 HG LEU A 189 -3.007 -8.474 8.108 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -2.597 -10.921 8.142 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -1.083 -10.010 7.928 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -1.483 -10.710 9.514 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -4.494 -9.944 9.438 1.00 1.78 H new ATOM 0 HD22 LEU A 189 -3.445 -9.718 10.858 1.00 1.78 H new ATOM 0 HD23 LEU A 189 -4.334 -8.334 10.179 1.00 1.78 H new ATOM 1948 N ALA A 190 1.383 -8.695 11.320 1.00 0.37 N ATOM 1949 CA ALA A 190 2.743 -9.272 11.111 1.00 0.42 C ATOM 1950 C ALA A 190 2.828 -10.607 11.846 1.00 0.44 C ATOM 1951 O ALA A 190 3.840 -11.279 11.822 1.00 0.53 O ATOM 1952 CB ALA A 190 3.796 -8.316 11.676 1.00 0.47 C ATOM 0 H ALA A 190 1.344 -7.895 11.952 1.00 0.37 H new ATOM 0 HA ALA A 190 2.923 -9.419 10.046 1.00 0.42 H new ATOM 0 HB1 ALA A 190 4.789 -8.738 11.523 1.00 0.47 H new ATOM 0 HB2 ALA A 190 3.727 -7.356 11.165 1.00 0.47 H new ATOM 0 HB3 ALA A 190 3.623 -8.173 12.743 1.00 0.47 H new ATOM 1958 N PHE A 191 1.761 -10.992 12.499 1.00 0.42 N ATOM 1959 CA PHE A 191 1.747 -12.288 13.248 1.00 0.51 C ATOM 1960 C PHE A 191 0.449 -13.033 12.932 1.00 0.56 C ATOM 1961 O PHE A 191 0.452 -14.216 12.659 1.00 0.96 O ATOM 1962 CB PHE A 191 1.828 -12.007 14.751 1.00 0.58 C ATOM 1963 CG PHE A 191 3.096 -11.241 15.050 1.00 1.14 C ATOM 1964 CD1 PHE A 191 3.104 -9.844 14.972 1.00 1.98 C ATOM 1965 CD2 PHE A 191 4.263 -11.930 15.404 1.00 1.81 C ATOM 1966 CE1 PHE A 191 4.278 -9.133 15.246 1.00 2.87 C ATOM 1967 CE2 PHE A 191 5.438 -11.219 15.679 1.00 2.75 C ATOM 1968 CZ PHE A 191 5.446 -9.821 15.599 1.00 3.15 C ATOM 0 H PHE A 191 0.892 -10.461 12.546 1.00 0.42 H new ATOM 0 HA PHE A 191 2.600 -12.898 12.950 1.00 0.51 H new ATOM 0 HB2 PHE A 191 0.959 -11.433 15.072 1.00 0.58 H new ATOM 0 HB3 PHE A 191 1.816 -12.943 15.309 1.00 0.58 H new ATOM 0 HD1 PHE A 191 2.203 -9.314 14.700 1.00 1.98 H new ATOM 0 HD2 PHE A 191 4.257 -13.008 15.465 1.00 1.81 H new ATOM 0 HE1 PHE A 191 4.283 -8.055 15.185 1.00 2.87 H new ATOM 0 HE2 PHE A 191 6.338 -11.749 15.953 1.00 2.75 H new ATOM 0 HZ PHE A 191 6.353 -9.273 15.809 1.00 3.15 H new ATOM 1978 N HIS A 192 -0.664 -12.348 12.957 1.00 0.64 N ATOM 1979 CA HIS A 192 -1.958 -13.021 12.646 1.00 0.72 C ATOM 1980 C HIS A 192 -2.030 -13.287 11.139 1.00 0.67 C ATOM 1981 O HIS A 192 -1.138 -12.933 10.395 1.00 1.26 O ATOM 1982 CB HIS A 192 -3.123 -12.116 13.066 1.00 1.01 C ATOM 1983 CG HIS A 192 -3.321 -12.198 14.556 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -2.259 -12.212 15.447 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -4.455 -12.274 15.325 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -2.772 -12.293 16.688 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -4.106 -12.334 16.671 1.00 3.35 N ATOM 0 H HIS A 192 -0.732 -11.355 13.179 1.00 0.64 H new ATOM 0 HA HIS A 192 -2.024 -13.963 13.190 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -2.919 -11.086 12.773 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -4.035 -12.419 12.552 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -5.465 -12.286 14.944 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -2.177 -12.321 17.589 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -4.734 -12.396 17.472 1.00 3.35 H new ATOM 1995 N HIS A 193 -3.085 -13.909 10.682 1.00 0.77 N ATOM 1996 CA HIS A 193 -3.212 -14.198 9.222 1.00 0.85 C ATOM 1997 C HIS A 193 -4.694 -14.222 8.840 1.00 0.74 C ATOM 1998 O HIS A 193 -5.184 -15.170 8.260 1.00 0.78 O ATOM 1999 CB HIS A 193 -2.573 -15.563 8.917 1.00 1.28 C ATOM 2000 CG HIS A 193 -2.197 -15.648 7.460 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -2.880 -14.951 6.474 1.00 2.84 N ATOM 2002 CD2 HIS A 193 -1.209 -16.344 6.810 1.00 2.99 C ATOM 2003 CE1 HIS A 193 -2.296 -15.241 5.295 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -1.272 -16.086 5.444 1.00 3.87 N ATOM 0 H HIS A 193 -3.865 -14.230 11.256 1.00 0.77 H new ATOM 0 HA HIS A 193 -2.703 -13.425 8.646 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -1.688 -15.705 9.537 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -3.270 -16.363 9.168 1.00 1.28 H new ATOM 0 HD2 HIS A 193 -0.491 -16.994 7.287 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -2.617 -14.839 4.345 1.00 3.75 H new ATOM 0 HE2 HIS A 193 -0.667 -16.461 4.714 1.00 3.87 H new ATOM 2012 N MET A 194 -5.411 -13.184 9.167 1.00 0.73 N ATOM 2013 CA MET A 194 -6.861 -13.142 8.831 1.00 0.79 C ATOM 2014 C MET A 194 -7.059 -13.506 7.356 1.00 0.75 C ATOM 2015 O MET A 194 -7.922 -14.290 7.013 1.00 0.90 O ATOM 2016 CB MET A 194 -7.403 -11.732 9.088 1.00 0.91 C ATOM 2017 CG MET A 194 -8.933 -11.769 9.170 1.00 1.47 C ATOM 2018 SD MET A 194 -9.432 -12.400 10.791 1.00 2.35 S ATOM 2019 CE MET A 194 -11.165 -12.727 10.386 1.00 2.94 C ATOM 0 H MET A 194 -5.055 -12.361 9.653 1.00 0.73 H new ATOM 0 HA MET A 194 -7.398 -13.858 9.454 1.00 0.79 H new ATOM 0 HB2 MET A 194 -6.990 -11.338 10.016 1.00 0.91 H new ATOM 0 HB3 MET A 194 -7.089 -11.061 8.289 1.00 0.91 H new ATOM 0 HG2 MET A 194 -9.341 -10.770 9.015 1.00 1.47 H new ATOM 0 HG3 MET A 194 -9.335 -12.404 8.381 1.00 1.47 H new ATOM 0 HE1 MET A 194 -11.673 -13.130 11.262 1.00 2.94 H new ATOM 0 HE2 MET A 194 -11.649 -11.799 10.081 1.00 2.94 H new ATOM 0 HE3 MET A 194 -11.218 -13.449 9.571 1.00 2.94 H new ATOM 2029 N ALA A 195 -6.271 -12.938 6.482 1.00 0.66 N ATOM 2030 CA ALA A 195 -6.421 -13.239 5.028 1.00 0.76 C ATOM 2031 C ALA A 195 -6.574 -14.749 4.815 1.00 0.90 C ATOM 2032 O ALA A 195 -7.168 -15.189 3.848 1.00 1.11 O ATOM 2033 CB ALA A 195 -5.184 -12.743 4.274 1.00 0.82 C ATOM 0 H ALA A 195 -5.529 -12.278 6.713 1.00 0.66 H new ATOM 0 HA ALA A 195 -7.310 -12.734 4.651 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -5.293 -12.963 3.212 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -5.080 -11.667 4.413 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -4.297 -13.246 4.659 1.00 0.82 H new