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 107 GLN : amide:sc= 0.646 K(o=1.8,f=-2.3!) USER MOD Set 1.2: A 127 TYR OH : rot 154:sc= 1.11 USER MOD Set 2.1: A 88 SER OG : rot 97:sc= -1.72! USER MOD Set 2.2: A 89 HIS : no HE2:sc= -1.42! C(o=-3.3!,f=-20!) USER MOD Set 2.3: A 142 CYS SG : rot 8:sc= -0.21 USER MOD Single : A 79 MET CE :methyl -132:sc= 0 (180deg=-0.547) USER MOD Single : A 80 THR OG1 : rot -160:sc= -0.747! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -152:sc= -0.125 (180deg=-1.3!) USER MOD Single : A 92 LYS NZ :NH3+ -169:sc= 0.959 (180deg=0.802) USER MOD Single : A 94 LYS NZ :NH3+ -145:sc= 0.266 (180deg=-0.0051) USER MOD Single : A 102 HIS : no HE2:sc= -1.97 K(o=-2,f=-5!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -0.174 K(o=-0.17,f=-1.1) USER MOD Single : A 117 THR OG1 : rot -101:sc= 0.48 USER MOD Single : A 118 GLN :FLIP amide:sc= -0.0944 F(o=-3.7!,f=-0.094) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -5.04! C(o=-5!,f=-6.7!) USER MOD Single : A 126 ASN : amide:sc= -3.57! C(o=-3.6!,f=-4.5!) 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 -139:sc= 1.24 USER MOD Single : A 143 TYR OH : rot -79:sc= -2.68! USER MOD Single : A 144 LYS NZ :NH3+ 172:sc= -2.79 (180deg=-2.99) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 192 HIS : no HD1:sc= -1.99! C(o=-2!,f=-5!) USER MOD Single : A 193 HIS : no HD1:sc= -3.35! C(o=-3.4!,f=-7.1!) USER MOD Single : A 194 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 19.085 -0.151 -8.551 1.00 1.04 N ATOM 275 CA VAL A 74 20.247 -0.565 -7.706 1.00 0.93 C ATOM 276 C VAL A 74 20.288 -2.097 -7.693 1.00 0.86 C ATOM 277 O VAL A 74 19.274 -2.732 -7.900 1.00 0.89 O ATOM 278 CB VAL A 74 20.045 -0.043 -6.272 1.00 1.09 C ATOM 279 CG1 VAL A 74 20.428 1.438 -6.185 1.00 1.17 C ATOM 280 CG2 VAL A 74 18.576 -0.208 -5.879 1.00 1.38 C ATOM 0 HA VAL A 74 21.178 -0.160 -8.102 1.00 0.93 H new ATOM 0 HB VAL A 74 20.680 -0.613 -5.594 1.00 1.09 H new ATOM 0 HG11 VAL A 74 20.280 1.793 -5.165 1.00 1.17 H new ATOM 0 HG12 VAL A 74 21.475 1.560 -6.463 1.00 1.17 H new ATOM 0 HG13 VAL A 74 19.802 2.016 -6.865 1.00 1.17 H new ATOM 0 HG21 VAL A 74 18.427 0.160 -4.864 1.00 1.38 H new ATOM 0 HG22 VAL A 74 17.949 0.360 -6.567 1.00 1.38 H new ATOM 0 HG23 VAL A 74 18.303 -1.262 -5.926 1.00 1.38 H new ATOM 290 N PRO A 75 21.434 -2.696 -7.453 1.00 0.93 N ATOM 291 CA PRO A 75 21.567 -4.179 -7.415 1.00 1.00 C ATOM 292 C PRO A 75 20.306 -4.858 -6.867 1.00 0.88 C ATOM 293 O PRO A 75 19.905 -4.638 -5.741 1.00 0.84 O ATOM 294 CB PRO A 75 22.760 -4.380 -6.486 1.00 1.18 C ATOM 295 CG PRO A 75 23.653 -3.205 -6.766 1.00 1.37 C ATOM 296 CD PRO A 75 22.733 -2.041 -7.196 1.00 1.13 C ATOM 0 HA PRO A 75 21.703 -4.621 -8.402 1.00 1.00 H new ATOM 0 HB2 PRO A 75 22.450 -4.404 -5.441 1.00 1.18 H new ATOM 0 HB3 PRO A 75 23.268 -5.323 -6.690 1.00 1.18 H new ATOM 0 HG2 PRO A 75 24.228 -2.936 -5.880 1.00 1.37 H new ATOM 0 HG3 PRO A 75 24.370 -3.442 -7.552 1.00 1.37 H new ATOM 0 HD2 PRO A 75 22.652 -1.285 -6.415 1.00 1.13 H new ATOM 0 HD3 PRO A 75 23.112 -1.540 -8.087 1.00 1.13 H new ATOM 304 N LEU A 76 19.665 -5.659 -7.674 1.00 0.86 N ATOM 305 CA LEU A 76 18.410 -6.334 -7.228 1.00 0.77 C ATOM 306 C LEU A 76 18.691 -7.249 -6.036 1.00 0.77 C ATOM 307 O LEU A 76 19.113 -8.378 -6.191 1.00 0.85 O ATOM 308 CB LEU A 76 17.834 -7.173 -8.376 1.00 0.84 C ATOM 309 CG LEU A 76 17.498 -6.276 -9.581 1.00 0.87 C ATOM 310 CD1 LEU A 76 17.251 -7.151 -10.817 1.00 1.01 C ATOM 311 CD2 LEU A 76 16.234 -5.446 -9.293 1.00 0.76 C ATOM 0 H LEU A 76 19.957 -5.877 -8.627 1.00 0.86 H new ATOM 0 HA LEU A 76 17.693 -5.568 -6.933 1.00 0.77 H new ATOM 0 HB2 LEU A 76 18.553 -7.937 -8.673 1.00 0.84 H new ATOM 0 HB3 LEU A 76 16.937 -7.693 -8.040 1.00 0.84 H new ATOM 0 HG LEU A 76 18.336 -5.603 -9.761 1.00 0.87 H new ATOM 0 HD11 LEU A 76 17.013 -6.516 -11.671 1.00 1.01 H new ATOM 0 HD12 LEU A 76 18.146 -7.733 -11.036 1.00 1.01 H new ATOM 0 HD13 LEU A 76 16.418 -7.827 -10.624 1.00 1.01 H new ATOM 0 HD21 LEU A 76 16.008 -4.816 -10.154 1.00 0.76 H new ATOM 0 HD22 LEU A 76 15.395 -6.115 -9.103 1.00 0.76 H new ATOM 0 HD23 LEU A 76 16.403 -4.818 -8.418 1.00 0.76 H new ATOM 323 N ARG A 77 18.432 -6.777 -4.846 1.00 0.74 N ATOM 324 CA ARG A 77 18.653 -7.622 -3.639 1.00 0.79 C ATOM 325 C ARG A 77 17.414 -8.511 -3.442 1.00 0.71 C ATOM 326 O ARG A 77 16.339 -8.176 -3.898 1.00 0.73 O ATOM 327 CB ARG A 77 18.862 -6.706 -2.419 1.00 0.85 C ATOM 328 CG ARG A 77 20.340 -6.305 -2.327 1.00 1.19 C ATOM 329 CD ARG A 77 20.560 -5.407 -1.109 1.00 1.52 C ATOM 330 NE ARG A 77 22.021 -5.305 -0.826 1.00 2.13 N ATOM 331 CZ ARG A 77 22.473 -4.357 -0.050 1.00 2.66 C ATOM 332 NH1 ARG A 77 21.647 -3.488 0.469 1.00 2.73 N ATOM 333 NH2 ARG A 77 23.749 -4.275 0.204 1.00 3.61 N ATOM 0 H ARG A 77 18.076 -5.840 -4.658 1.00 0.74 H new ATOM 0 HA ARG A 77 19.535 -8.251 -3.758 1.00 0.79 H new ATOM 0 HB2 ARG A 77 18.238 -5.817 -2.507 1.00 0.85 H new ATOM 0 HB3 ARG A 77 18.556 -7.221 -1.508 1.00 0.85 H new ATOM 0 HG2 ARG A 77 20.964 -7.196 -2.251 1.00 1.19 H new ATOM 0 HG3 ARG A 77 20.641 -5.782 -3.235 1.00 1.19 H new ATOM 0 HD2 ARG A 77 20.144 -4.417 -1.294 1.00 1.52 H new ATOM 0 HD3 ARG A 77 20.038 -5.815 -0.243 1.00 1.52 H new ATOM 0 HE ARG A 77 22.668 -5.977 -1.239 1.00 2.13 H new ATOM 0 HH11 ARG A 77 20.649 -3.550 0.268 1.00 2.73 H new ATOM 0 HH12 ARG A 77 22.000 -2.748 1.075 1.00 2.73 H new ATOM 0 HH21 ARG A 77 24.395 -4.951 -0.203 1.00 3.61 H new ATOM 0 HH22 ARG A 77 24.102 -3.534 0.810 1.00 3.61 H new ATOM 347 N PRO A 78 17.554 -9.635 -2.782 1.00 0.79 N ATOM 348 CA PRO A 78 16.409 -10.567 -2.547 1.00 0.76 C ATOM 349 C PRO A 78 15.416 -10.029 -1.507 1.00 0.67 C ATOM 350 O PRO A 78 15.741 -9.866 -0.348 1.00 0.69 O ATOM 351 CB PRO A 78 17.091 -11.848 -2.043 1.00 0.86 C ATOM 352 CG PRO A 78 18.351 -11.375 -1.393 1.00 1.18 C ATOM 353 CD PRO A 78 18.806 -10.150 -2.192 1.00 1.06 C ATOM 0 HA PRO A 78 15.812 -10.715 -3.447 1.00 0.76 H new ATOM 0 HB2 PRO A 78 16.457 -12.383 -1.336 1.00 0.86 H new ATOM 0 HB3 PRO A 78 17.302 -12.534 -2.864 1.00 0.86 H new ATOM 0 HG2 PRO A 78 18.178 -11.117 -0.348 1.00 1.18 H new ATOM 0 HG3 PRO A 78 19.113 -12.154 -1.406 1.00 1.18 H new ATOM 0 HD2 PRO A 78 19.282 -9.408 -1.551 1.00 1.06 H new ATOM 0 HD3 PRO A 78 19.530 -10.419 -2.961 1.00 1.06 H new ATOM 361 N MET A 79 14.203 -9.762 -1.915 1.00 0.65 N ATOM 362 CA MET A 79 13.190 -9.247 -0.951 1.00 0.61 C ATOM 363 C MET A 79 12.843 -10.353 0.047 1.00 0.51 C ATOM 364 O MET A 79 12.201 -11.328 -0.289 1.00 0.56 O ATOM 365 CB MET A 79 11.928 -8.825 -1.706 1.00 0.66 C ATOM 366 CG MET A 79 11.025 -8.011 -0.775 1.00 0.74 C ATOM 367 SD MET A 79 9.637 -7.338 -1.720 1.00 1.25 S ATOM 368 CE MET A 79 8.827 -6.475 -0.352 1.00 0.83 C ATOM 0 H MET A 79 13.872 -9.878 -2.873 1.00 0.65 H new ATOM 0 HA MET A 79 13.594 -8.385 -0.420 1.00 0.61 H new ATOM 0 HB2 MET A 79 12.196 -8.232 -2.581 1.00 0.66 H new ATOM 0 HB3 MET A 79 11.396 -9.705 -2.068 1.00 0.66 H new ATOM 0 HG2 MET A 79 10.656 -8.641 0.034 1.00 0.74 H new ATOM 0 HG3 MET A 79 11.593 -7.202 -0.316 1.00 0.74 H new ATOM 0 HE1 MET A 79 7.763 -6.712 -0.351 1.00 0.83 H new ATOM 0 HE2 MET A 79 9.270 -6.793 0.592 1.00 0.83 H new ATOM 0 HE3 MET A 79 8.959 -5.400 -0.471 1.00 0.83 H new ATOM 378 N THR A 80 13.273 -10.212 1.271 1.00 0.56 N ATOM 379 CA THR A 80 12.984 -11.257 2.296 1.00 0.60 C ATOM 380 C THR A 80 11.647 -10.993 2.969 1.00 0.56 C ATOM 381 O THR A 80 11.213 -9.867 3.088 1.00 0.50 O ATOM 382 CB THR A 80 14.088 -11.244 3.358 1.00 0.77 C ATOM 383 OG1 THR A 80 14.008 -10.041 4.109 1.00 0.94 O ATOM 384 CG2 THR A 80 15.455 -11.331 2.678 1.00 0.73 C ATOM 0 H THR A 80 13.814 -9.415 1.607 1.00 0.56 H new ATOM 0 HA THR A 80 12.946 -12.228 1.802 1.00 0.60 H new ATOM 0 HB THR A 80 13.960 -12.098 4.023 1.00 0.77 H new ATOM 0 HG1 THR A 80 14.865 -9.876 4.555 1.00 0.94 H new ATOM 0 HG21 THR A 80 16.239 -11.322 3.435 1.00 0.73 H new ATOM 0 HG22 THR A 80 15.517 -12.255 2.103 1.00 0.73 H new ATOM 0 HG23 THR A 80 15.584 -10.479 2.011 1.00 0.73 H new ATOM 392 N TYR A 81 10.996 -12.023 3.455 1.00 0.61 N ATOM 393 CA TYR A 81 9.712 -11.800 4.173 1.00 0.60 C ATOM 394 C TYR A 81 10.046 -10.777 5.253 1.00 0.51 C ATOM 395 O TYR A 81 9.323 -9.832 5.502 1.00 0.45 O ATOM 396 CB TYR A 81 9.223 -13.145 4.767 1.00 0.69 C ATOM 397 CG TYR A 81 8.679 -12.972 6.173 1.00 0.60 C ATOM 398 CD1 TYR A 81 7.434 -12.366 6.376 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.426 -13.422 7.271 1.00 0.71 C ATOM 400 CE1 TYR A 81 6.935 -12.211 7.675 1.00 0.66 C ATOM 401 CE2 TYR A 81 8.926 -13.267 8.569 1.00 0.77 C ATOM 402 CZ TYR A 81 7.680 -12.662 8.771 1.00 0.73 C ATOM 403 OH TYR A 81 7.186 -12.509 10.051 1.00 0.90 O ATOM 0 H TYR A 81 11.297 -12.995 3.385 1.00 0.61 H new ATOM 0 HA TYR A 81 8.908 -11.436 3.534 1.00 0.60 H new ATOM 0 HB2 TYR A 81 8.448 -13.566 4.126 1.00 0.69 H new ATOM 0 HB3 TYR A 81 10.047 -13.858 4.781 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.858 -12.018 5.531 1.00 0.59 H new ATOM 0 HD2 TYR A 81 10.388 -13.888 7.115 1.00 0.71 H new ATOM 0 HE1 TYR A 81 5.974 -11.743 7.832 1.00 0.66 H new ATOM 0 HE2 TYR A 81 9.501 -13.614 9.415 1.00 0.77 H new ATOM 0 HH TYR A 81 7.827 -12.876 10.695 1.00 0.90 H new ATOM 413 N LYS A 82 11.197 -10.948 5.840 1.00 0.52 N ATOM 414 CA LYS A 82 11.679 -9.987 6.851 1.00 0.48 C ATOM 415 C LYS A 82 11.768 -8.617 6.178 1.00 0.40 C ATOM 416 O LYS A 82 11.565 -7.594 6.801 1.00 0.38 O ATOM 417 CB LYS A 82 13.069 -10.419 7.329 1.00 0.55 C ATOM 418 CG LYS A 82 13.535 -9.517 8.471 1.00 0.60 C ATOM 419 CD LYS A 82 14.816 -10.093 9.082 1.00 0.92 C ATOM 420 CE LYS A 82 15.483 -9.037 9.967 1.00 1.49 C ATOM 421 NZ LYS A 82 15.807 -7.835 9.148 1.00 2.32 N ATOM 0 H LYS A 82 11.829 -11.727 5.654 1.00 0.52 H new ATOM 0 HA LYS A 82 11.006 -9.948 7.708 1.00 0.48 H new ATOM 0 HB2 LYS A 82 13.041 -11.456 7.663 1.00 0.55 H new ATOM 0 HB3 LYS A 82 13.778 -10.369 6.503 1.00 0.55 H new ATOM 0 HG2 LYS A 82 13.717 -8.508 8.101 1.00 0.60 H new ATOM 0 HG3 LYS A 82 12.757 -9.443 9.231 1.00 0.60 H new ATOM 0 HD2 LYS A 82 14.583 -10.981 9.670 1.00 0.92 H new ATOM 0 HD3 LYS A 82 15.500 -10.404 8.292 1.00 0.92 H new ATOM 0 HE2 LYS A 82 14.820 -8.763 10.787 1.00 1.49 H new ATOM 0 HE3 LYS A 82 16.391 -9.442 10.413 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 16.629 -7.347 9.558 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 16.028 -8.127 8.175 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 14.991 -7.191 9.139 1.00 2.32 H new ATOM 435 N ALA A 83 12.070 -8.586 4.896 1.00 0.42 N ATOM 436 CA ALA A 83 12.165 -7.267 4.198 1.00 0.41 C ATOM 437 C ALA A 83 10.784 -6.600 4.155 1.00 0.35 C ATOM 438 O ALA A 83 10.657 -5.403 4.321 1.00 0.34 O ATOM 439 CB ALA A 83 12.676 -7.466 2.768 1.00 0.52 C ATOM 0 H ALA A 83 12.251 -9.405 4.315 1.00 0.42 H new ATOM 0 HA ALA A 83 12.860 -6.630 4.744 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.742 -6.500 2.267 1.00 0.52 H new ATOM 0 HB2 ALA A 83 13.663 -7.929 2.795 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.988 -8.111 2.222 1.00 0.52 H new ATOM 445 N ALA A 84 9.748 -7.364 3.933 1.00 0.34 N ATOM 446 CA ALA A 84 8.380 -6.771 3.879 1.00 0.31 C ATOM 447 C ALA A 84 8.065 -6.106 5.217 1.00 0.28 C ATOM 448 O ALA A 84 7.636 -4.972 5.270 1.00 0.28 O ATOM 449 CB ALA A 84 7.355 -7.875 3.606 1.00 0.34 C ATOM 0 H ALA A 84 9.790 -8.373 3.787 1.00 0.34 H new ATOM 0 HA ALA A 84 8.335 -6.029 3.082 1.00 0.31 H new ATOM 0 HB1 ALA A 84 6.356 -7.442 3.567 1.00 0.34 H new ATOM 0 HB2 ALA A 84 7.581 -8.354 2.653 1.00 0.34 H new ATOM 0 HB3 ALA A 84 7.398 -8.617 4.404 1.00 0.34 H new ATOM 455 N VAL A 85 8.275 -6.802 6.300 1.00 0.29 N ATOM 456 CA VAL A 85 7.984 -6.202 7.632 1.00 0.29 C ATOM 457 C VAL A 85 8.906 -5.004 7.858 1.00 0.29 C ATOM 458 O VAL A 85 8.502 -3.995 8.399 1.00 0.30 O ATOM 459 CB VAL A 85 8.209 -7.249 8.727 1.00 0.33 C ATOM 460 CG1 VAL A 85 7.530 -6.797 10.022 1.00 0.37 C ATOM 461 CG2 VAL A 85 7.608 -8.585 8.286 1.00 0.38 C ATOM 0 H VAL A 85 8.634 -7.756 6.321 1.00 0.29 H new ATOM 0 HA VAL A 85 6.946 -5.870 7.666 1.00 0.29 H new ATOM 0 HB VAL A 85 9.279 -7.364 8.898 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.693 -7.545 10.798 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.953 -5.845 10.341 1.00 0.37 H new ATOM 0 HG13 VAL A 85 6.460 -6.679 9.850 1.00 0.37 H new ATOM 0 HG21 VAL A 85 7.768 -9.331 9.065 1.00 0.38 H new ATOM 0 HG22 VAL A 85 6.539 -8.464 8.114 1.00 0.38 H new ATOM 0 HG23 VAL A 85 8.089 -8.914 7.365 1.00 0.38 H new ATOM 471 N ASP A 86 10.137 -5.095 7.438 1.00 0.30 N ATOM 472 CA ASP A 86 11.057 -3.942 7.624 1.00 0.32 C ATOM 473 C ASP A 86 10.504 -2.764 6.823 1.00 0.30 C ATOM 474 O ASP A 86 10.320 -1.679 7.339 1.00 0.31 O ATOM 475 CB ASP A 86 12.454 -4.312 7.122 1.00 0.36 C ATOM 476 CG ASP A 86 13.132 -5.233 8.138 1.00 0.42 C ATOM 477 OD1 ASP A 86 12.426 -5.989 8.786 1.00 1.05 O ATOM 478 OD2 ASP A 86 14.345 -5.165 8.254 1.00 1.23 O ATOM 0 H ASP A 86 10.542 -5.911 6.978 1.00 0.30 H new ATOM 0 HA ASP A 86 11.130 -3.676 8.679 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.385 -4.808 6.154 1.00 0.36 H new ATOM 0 HB3 ASP A 86 13.050 -3.411 6.976 1.00 0.36 H new ATOM 483 N LEU A 87 10.217 -2.976 5.567 1.00 0.29 N ATOM 484 CA LEU A 87 9.652 -1.876 4.738 1.00 0.30 C ATOM 485 C LEU A 87 8.308 -1.448 5.333 1.00 0.29 C ATOM 486 O LEU A 87 7.971 -0.280 5.352 1.00 0.30 O ATOM 487 CB LEU A 87 9.444 -2.367 3.299 1.00 0.33 C ATOM 488 CG LEU A 87 9.157 -1.174 2.367 1.00 0.42 C ATOM 489 CD1 LEU A 87 10.438 -0.351 2.122 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.621 -1.701 1.029 1.00 0.44 C ATOM 0 H LEU A 87 10.350 -3.863 5.081 1.00 0.29 H new ATOM 0 HA LEU A 87 10.340 -1.031 4.730 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.331 -2.900 2.957 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.614 -3.073 3.264 1.00 0.33 H new ATOM 0 HG LEU A 87 8.417 -0.527 2.839 1.00 0.42 H new ATOM 0 HD11 LEU A 87 10.212 0.486 1.461 1.00 0.52 H new ATOM 0 HD12 LEU A 87 10.814 0.028 3.072 1.00 0.52 H new ATOM 0 HD13 LEU A 87 11.195 -0.985 1.659 1.00 0.52 H new ATOM 0 HD21 LEU A 87 8.415 -0.862 0.364 1.00 0.44 H new ATOM 0 HD22 LEU A 87 9.364 -2.354 0.571 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.702 -2.262 1.201 1.00 0.44 H new ATOM 502 N SER A 88 7.536 -2.386 5.819 1.00 0.30 N ATOM 503 CA SER A 88 6.217 -2.031 6.413 1.00 0.34 C ATOM 504 C SER A 88 6.410 -0.953 7.487 1.00 0.33 C ATOM 505 O SER A 88 5.804 0.102 7.442 1.00 0.36 O ATOM 506 CB SER A 88 5.598 -3.280 7.046 1.00 0.40 C ATOM 507 OG SER A 88 6.199 -3.511 8.312 1.00 0.44 O ATOM 0 H SER A 88 7.764 -3.380 5.829 1.00 0.30 H new ATOM 0 HA SER A 88 5.556 -1.649 5.635 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.522 -3.149 7.160 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.747 -4.143 6.397 1.00 0.40 H new ATOM 0 HG SER A 88 5.635 -3.129 9.016 1.00 0.44 H new ATOM 513 N HIS A 89 7.244 -1.214 8.456 1.00 0.34 N ATOM 514 CA HIS A 89 7.468 -0.213 9.537 1.00 0.36 C ATOM 515 C HIS A 89 8.272 0.974 9.002 1.00 0.36 C ATOM 516 O HIS A 89 8.219 2.061 9.544 1.00 0.41 O ATOM 517 CB HIS A 89 8.245 -0.865 10.685 1.00 0.41 C ATOM 518 CG HIS A 89 7.420 -1.956 11.313 1.00 0.52 C ATOM 519 ND1 HIS A 89 6.888 -3.002 10.575 1.00 1.43 N ATOM 520 CD2 HIS A 89 7.034 -2.179 12.612 1.00 1.01 C ATOM 521 CE1 HIS A 89 6.219 -3.800 11.428 1.00 1.27 C ATOM 522 NE2 HIS A 89 6.277 -3.344 12.681 1.00 0.82 N ATOM 0 H HIS A 89 7.780 -2.077 8.546 1.00 0.34 H new ATOM 0 HA HIS A 89 6.500 0.140 9.894 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.183 -1.276 10.312 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.501 -0.115 11.433 1.00 0.41 H new ATOM 0 HD1 HIS A 89 6.986 -3.141 9.569 1.00 1.43 H new ATOM 0 HD2 HIS A 89 7.281 -1.546 13.452 1.00 1.01 H new ATOM 0 HE1 HIS A 89 5.699 -4.700 11.134 1.00 1.27 H new ATOM 530 N PHE A 90 9.024 0.794 7.951 1.00 0.34 N ATOM 531 CA PHE A 90 9.809 1.943 7.423 1.00 0.37 C ATOM 532 C PHE A 90 8.847 3.066 7.039 1.00 0.40 C ATOM 533 O PHE A 90 8.941 4.176 7.525 1.00 0.47 O ATOM 534 CB PHE A 90 10.610 1.510 6.194 1.00 0.38 C ATOM 535 CG PHE A 90 11.543 2.629 5.789 1.00 0.47 C ATOM 536 CD1 PHE A 90 12.650 2.937 6.592 1.00 0.57 C ATOM 537 CD2 PHE A 90 11.302 3.363 4.620 1.00 0.59 C ATOM 538 CE1 PHE A 90 13.514 3.975 6.224 1.00 0.69 C ATOM 539 CE2 PHE A 90 12.167 4.400 4.253 1.00 0.70 C ATOM 540 CZ PHE A 90 13.273 4.707 5.056 1.00 0.72 C ATOM 0 H PHE A 90 9.128 -0.084 7.443 1.00 0.34 H new ATOM 0 HA PHE A 90 10.502 2.293 8.188 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.180 0.608 6.416 1.00 0.38 H new ATOM 0 HB3 PHE A 90 9.936 1.267 5.373 1.00 0.38 H new ATOM 0 HD1 PHE A 90 12.836 2.374 7.494 1.00 0.57 H new ATOM 0 HD2 PHE A 90 10.448 3.128 4.002 1.00 0.59 H new ATOM 0 HE1 PHE A 90 14.368 4.211 6.842 1.00 0.69 H new ATOM 0 HE2 PHE A 90 11.982 4.964 3.351 1.00 0.70 H new ATOM 0 HZ PHE A 90 13.940 5.508 4.774 1.00 0.72 H new ATOM 550 N LEU A 91 7.921 2.779 6.169 1.00 0.37 N ATOM 551 CA LEU A 91 6.940 3.815 5.740 1.00 0.42 C ATOM 552 C LEU A 91 6.100 4.287 6.932 1.00 0.47 C ATOM 553 O LEU A 91 5.574 5.381 6.929 1.00 0.57 O ATOM 554 CB LEU A 91 6.021 3.214 4.673 1.00 0.41 C ATOM 555 CG LEU A 91 6.839 2.859 3.410 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.178 1.692 2.675 1.00 0.42 C ATOM 557 CD2 LEU A 91 6.905 4.070 2.468 1.00 0.54 C ATOM 0 H LEU A 91 7.800 1.865 5.733 1.00 0.37 H new ATOM 0 HA LEU A 91 7.478 4.672 5.335 1.00 0.42 H new ATOM 0 HB2 LEU A 91 5.533 2.321 5.063 1.00 0.41 H new ATOM 0 HB3 LEU A 91 5.233 3.923 4.419 1.00 0.41 H new ATOM 0 HG LEU A 91 7.847 2.579 3.714 1.00 0.41 H new ATOM 0 HD11 LEU A 91 6.759 1.446 1.786 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.137 0.824 3.333 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.167 1.973 2.382 1.00 0.42 H new ATOM 0 HD21 LEU A 91 7.483 3.810 1.581 1.00 0.54 H new ATOM 0 HD22 LEU A 91 5.896 4.356 2.172 1.00 0.54 H new ATOM 0 HD23 LEU A 91 7.383 4.904 2.981 1.00 0.54 H new ATOM 569 N LYS A 92 5.955 3.477 7.947 1.00 0.45 N ATOM 570 CA LYS A 92 5.129 3.901 9.117 1.00 0.53 C ATOM 571 C LYS A 92 5.751 5.140 9.776 1.00 0.63 C ATOM 572 O LYS A 92 5.178 6.212 9.769 1.00 0.85 O ATOM 573 CB LYS A 92 5.062 2.749 10.131 1.00 0.54 C ATOM 574 CG LYS A 92 4.432 3.218 11.451 1.00 0.73 C ATOM 575 CD LYS A 92 3.090 3.905 11.178 1.00 1.20 C ATOM 576 CE LYS A 92 2.274 3.971 12.474 1.00 1.61 C ATOM 577 NZ LYS A 92 1.171 4.960 12.318 1.00 2.27 N ATOM 0 H LYS A 92 6.369 2.547 8.018 1.00 0.45 H new ATOM 0 HA LYS A 92 4.123 4.150 8.780 1.00 0.53 H new ATOM 0 HB2 LYS A 92 4.478 1.927 9.716 1.00 0.54 H new ATOM 0 HB3 LYS A 92 6.065 2.365 10.318 1.00 0.54 H new ATOM 0 HG2 LYS A 92 4.285 2.367 12.116 1.00 0.73 H new ATOM 0 HG3 LYS A 92 5.106 3.907 11.960 1.00 0.73 H new ATOM 0 HD2 LYS A 92 3.257 4.910 10.790 1.00 1.20 H new ATOM 0 HD3 LYS A 92 2.537 3.356 10.416 1.00 1.20 H new ATOM 0 HE2 LYS A 92 1.865 2.988 12.709 1.00 1.61 H new ATOM 0 HE3 LYS A 92 2.917 4.256 13.307 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 0.735 5.143 13.244 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 1.552 5.848 11.933 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 0.454 4.580 11.667 1.00 2.27 H new ATOM 591 N GLU A 93 6.907 4.994 10.362 1.00 0.62 N ATOM 592 CA GLU A 93 7.562 6.139 11.043 1.00 0.76 C ATOM 593 C GLU A 93 8.066 7.169 10.016 1.00 0.77 C ATOM 594 O GLU A 93 7.790 8.347 10.122 1.00 1.05 O ATOM 595 CB GLU A 93 8.725 5.574 11.881 1.00 0.94 C ATOM 596 CG GLU A 93 9.776 6.646 12.170 1.00 1.22 C ATOM 597 CD GLU A 93 9.095 7.901 12.720 1.00 2.00 C ATOM 598 OE1 GLU A 93 8.323 7.770 13.656 1.00 2.73 O ATOM 599 OE2 GLU A 93 9.357 8.970 12.195 1.00 2.54 O ATOM 0 H GLU A 93 7.429 4.119 10.397 1.00 0.62 H new ATOM 0 HA GLU A 93 6.852 6.658 11.687 1.00 0.76 H new ATOM 0 HB2 GLU A 93 8.340 5.177 12.820 1.00 0.94 H new ATOM 0 HB3 GLU A 93 9.188 4.742 11.350 1.00 0.94 H new ATOM 0 HG2 GLU A 93 10.504 6.271 12.889 1.00 1.22 H new ATOM 0 HG3 GLU A 93 10.323 6.887 11.259 1.00 1.22 H new ATOM 606 N LYS A 94 8.828 6.742 9.045 1.00 0.80 N ATOM 607 CA LYS A 94 9.376 7.709 8.047 1.00 1.02 C ATOM 608 C LYS A 94 8.282 8.179 7.078 1.00 0.96 C ATOM 609 O LYS A 94 8.094 9.362 6.877 1.00 1.41 O ATOM 610 CB LYS A 94 10.505 7.037 7.253 1.00 1.39 C ATOM 611 CG LYS A 94 11.733 6.807 8.161 1.00 1.63 C ATOM 612 CD LYS A 94 12.636 8.057 8.176 1.00 2.18 C ATOM 613 CE LYS A 94 13.608 8.021 6.990 1.00 2.61 C ATOM 614 NZ LYS A 94 14.730 7.090 7.297 1.00 2.96 N ATOM 0 H LYS A 94 9.095 5.768 8.899 1.00 0.80 H new ATOM 0 HA LYS A 94 9.760 8.577 8.583 1.00 1.02 H new ATOM 0 HB2 LYS A 94 10.159 6.085 6.849 1.00 1.39 H new ATOM 0 HB3 LYS A 94 10.783 7.661 6.404 1.00 1.39 H new ATOM 0 HG2 LYS A 94 11.405 6.576 9.174 1.00 1.63 H new ATOM 0 HG3 LYS A 94 12.299 5.946 7.805 1.00 1.63 H new ATOM 0 HD2 LYS A 94 12.024 8.958 8.127 1.00 2.18 H new ATOM 0 HD3 LYS A 94 13.194 8.101 9.112 1.00 2.18 H new ATOM 0 HE2 LYS A 94 13.088 7.696 6.089 1.00 2.61 H new ATOM 0 HE3 LYS A 94 13.994 9.021 6.792 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 15.609 7.455 6.877 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 14.845 7.012 8.328 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 14.521 6.152 6.900 1.00 2.96 H new ATOM 628 N GLY A 95 7.575 7.274 6.457 1.00 1.12 N ATOM 629 CA GLY A 95 6.518 7.691 5.485 1.00 1.51 C ATOM 630 C GLY A 95 5.196 7.958 6.214 1.00 1.10 C ATOM 631 O GLY A 95 5.035 7.634 7.374 1.00 1.71 O ATOM 0 H GLY A 95 7.681 6.267 6.578 1.00 1.12 H new ATOM 0 HA2 GLY A 95 6.836 8.589 4.955 1.00 1.51 H new ATOM 0 HA3 GLY A 95 6.376 6.912 4.736 1.00 1.51 H new ATOM 635 N GLY A 96 4.246 8.543 5.524 1.00 1.17 N ATOM 636 CA GLY A 96 2.908 8.837 6.134 1.00 0.99 C ATOM 637 C GLY A 96 1.828 8.230 5.238 1.00 0.81 C ATOM 638 O GLY A 96 0.946 8.910 4.756 1.00 0.83 O ATOM 0 H GLY A 96 4.342 8.833 4.551 1.00 1.17 H new ATOM 0 HA2 GLY A 96 2.848 8.417 7.138 1.00 0.99 H new ATOM 0 HA3 GLY A 96 2.762 9.913 6.229 1.00 0.99 H new ATOM 642 N LEU A 97 1.911 6.950 5.001 1.00 0.67 N ATOM 643 CA LEU A 97 0.916 6.271 4.121 1.00 0.55 C ATOM 644 C LEU A 97 -0.347 5.930 4.923 1.00 0.46 C ATOM 645 O LEU A 97 -1.448 5.986 4.412 1.00 0.49 O ATOM 646 CB LEU A 97 1.554 4.982 3.580 1.00 0.54 C ATOM 647 CG LEU A 97 0.630 4.296 2.550 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.842 4.908 1.159 1.00 0.65 C ATOM 649 CD2 LEU A 97 0.960 2.796 2.491 1.00 0.66 C ATOM 0 H LEU A 97 2.633 6.339 5.383 1.00 0.67 H new ATOM 0 HA LEU A 97 0.635 6.927 3.297 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.513 5.214 3.116 1.00 0.54 H new ATOM 0 HB3 LEU A 97 1.756 4.298 4.405 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.407 4.441 2.853 1.00 0.54 H new ATOM 0 HD11 LEU A 97 0.185 4.416 0.441 1.00 0.65 H new ATOM 0 HD12 LEU A 97 0.612 5.973 1.191 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.880 4.770 0.855 1.00 0.65 H new ATOM 0 HD21 LEU A 97 0.309 2.309 1.765 1.00 0.66 H new ATOM 0 HD22 LEU A 97 2.000 2.664 2.193 1.00 0.66 H new ATOM 0 HD23 LEU A 97 0.805 2.350 3.474 1.00 0.66 H new ATOM 661 N GLU A 98 -0.195 5.559 6.163 1.00 0.44 N ATOM 662 CA GLU A 98 -1.386 5.194 6.985 1.00 0.40 C ATOM 663 C GLU A 98 -2.456 6.282 6.903 1.00 0.40 C ATOM 664 O GLU A 98 -2.173 7.462 6.841 1.00 0.58 O ATOM 665 CB GLU A 98 -0.967 5.011 8.444 1.00 0.49 C ATOM 666 CG GLU A 98 -2.205 4.730 9.304 1.00 0.48 C ATOM 667 CD GLU A 98 -1.770 4.166 10.658 1.00 1.26 C ATOM 668 OE1 GLU A 98 -0.576 4.008 10.857 1.00 2.03 O ATOM 669 OE2 GLU A 98 -2.638 3.900 11.474 1.00 1.94 O ATOM 0 H GLU A 98 0.702 5.492 6.645 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.800 4.264 6.596 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -0.258 4.187 8.529 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.459 5.906 8.802 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -2.777 5.647 9.447 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -2.860 4.022 8.797 1.00 0.48 H new ATOM 676 N GLY A 99 -3.690 5.871 6.934 1.00 0.39 N ATOM 677 CA GLY A 99 -4.827 6.835 6.896 1.00 0.42 C ATOM 678 C GLY A 99 -4.827 7.665 5.602 1.00 0.42 C ATOM 679 O GLY A 99 -5.693 8.492 5.394 1.00 0.46 O ATOM 0 H GLY A 99 -3.966 4.890 6.985 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -5.768 6.291 6.979 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -4.767 7.502 7.756 1.00 0.42 H new ATOM 683 N LEU A 100 -3.876 7.467 4.729 1.00 0.41 N ATOM 684 CA LEU A 100 -3.858 8.265 3.463 1.00 0.43 C ATOM 685 C LEU A 100 -4.922 7.721 2.501 1.00 0.42 C ATOM 686 O LEU A 100 -4.916 6.557 2.155 1.00 0.44 O ATOM 687 CB LEU A 100 -2.476 8.160 2.811 1.00 0.45 C ATOM 688 CG LEU A 100 -2.315 9.238 1.723 1.00 0.55 C ATOM 689 CD1 LEU A 100 -2.057 10.618 2.356 1.00 1.15 C ATOM 690 CD2 LEU A 100 -1.136 8.862 0.820 1.00 1.17 C ATOM 0 H LEU A 100 -3.116 6.794 4.833 1.00 0.41 H new ATOM 0 HA LEU A 100 -4.073 9.309 3.689 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -1.700 8.278 3.567 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -2.347 7.170 2.374 1.00 0.45 H new ATOM 0 HG LEU A 100 -3.234 9.292 1.140 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -1.946 11.364 1.569 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -2.897 10.887 2.996 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -1.145 10.580 2.951 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -1.014 9.620 0.046 1.00 1.17 H new ATOM 0 HD22 LEU A 100 -0.225 8.803 1.416 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -1.328 7.895 0.354 1.00 1.17 H new ATOM 702 N ILE A 101 -5.847 8.547 2.080 1.00 0.44 N ATOM 703 CA ILE A 101 -6.914 8.056 1.159 1.00 0.45 C ATOM 704 C ILE A 101 -6.316 7.616 -0.191 1.00 0.46 C ATOM 705 O ILE A 101 -5.988 8.430 -1.033 1.00 0.49 O ATOM 706 CB ILE A 101 -7.984 9.151 0.954 1.00 0.50 C ATOM 707 CG1 ILE A 101 -8.919 9.196 2.185 1.00 0.51 C ATOM 708 CG2 ILE A 101 -8.809 8.864 -0.309 1.00 0.54 C ATOM 709 CD1 ILE A 101 -9.987 8.077 2.126 1.00 0.52 C ATOM 0 H ILE A 101 -5.909 9.533 2.333 1.00 0.44 H new ATOM 0 HA ILE A 101 -7.389 7.186 1.612 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.485 10.113 0.836 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.329 9.090 3.096 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.411 10.168 2.235 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -9.558 9.645 -0.439 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -8.150 8.845 -1.177 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -9.305 7.898 -0.208 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.627 8.138 3.006 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.593 8.199 1.228 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.495 7.105 2.102 1.00 0.52 H new ATOM 721 N HIS A 102 -6.211 6.328 -0.411 1.00 0.47 N ATOM 722 CA HIS A 102 -5.680 5.817 -1.708 1.00 0.51 C ATOM 723 C HIS A 102 -6.669 6.201 -2.816 1.00 0.58 C ATOM 724 O HIS A 102 -7.742 5.636 -2.927 1.00 0.64 O ATOM 725 CB HIS A 102 -5.532 4.279 -1.632 1.00 0.57 C ATOM 726 CG HIS A 102 -5.544 3.669 -3.012 1.00 0.64 C ATOM 727 ND1 HIS A 102 -6.722 3.301 -3.643 1.00 1.41 N ATOM 728 CD2 HIS A 102 -4.537 3.358 -3.891 1.00 0.64 C ATOM 729 CE1 HIS A 102 -6.399 2.795 -4.846 1.00 1.36 C ATOM 730 NE2 HIS A 102 -5.079 2.806 -5.049 1.00 0.70 N ATOM 0 H HIS A 102 -6.473 5.605 0.259 1.00 0.47 H new ATOM 0 HA HIS A 102 -4.703 6.250 -1.920 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -4.601 4.024 -1.125 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.344 3.860 -1.038 1.00 0.57 H new ATOM 0 HD1 HIS A 102 -7.664 3.397 -3.263 1.00 1.41 H new ATOM 0 HD2 HIS A 102 -3.484 3.517 -3.712 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -7.119 2.425 -5.561 1.00 1.36 H new ATOM 738 N SER A 103 -6.316 7.154 -3.633 1.00 0.60 N ATOM 739 CA SER A 103 -7.233 7.572 -4.729 1.00 0.69 C ATOM 740 C SER A 103 -7.352 6.445 -5.755 1.00 0.76 C ATOM 741 O SER A 103 -8.296 5.679 -5.744 1.00 0.85 O ATOM 742 CB SER A 103 -6.679 8.825 -5.406 1.00 0.74 C ATOM 743 OG SER A 103 -6.513 9.849 -4.434 1.00 1.49 O ATOM 0 H SER A 103 -5.432 7.661 -3.589 1.00 0.60 H new ATOM 0 HA SER A 103 -8.218 7.789 -4.316 1.00 0.69 H new ATOM 0 HB2 SER A 103 -5.725 8.603 -5.884 1.00 0.74 H new ATOM 0 HB3 SER A 103 -7.358 9.159 -6.191 1.00 0.74 H new ATOM 0 HG SER A 103 -6.156 10.654 -4.864 1.00 1.49 H new ATOM 749 N GLN A 104 -6.403 6.340 -6.648 1.00 0.81 N ATOM 750 CA GLN A 104 -6.459 5.266 -7.683 1.00 0.92 C ATOM 751 C GLN A 104 -5.038 4.920 -8.132 1.00 0.93 C ATOM 752 O GLN A 104 -4.417 4.008 -7.621 1.00 1.37 O ATOM 753 CB GLN A 104 -7.258 5.761 -8.890 1.00 1.06 C ATOM 754 CG GLN A 104 -8.732 5.920 -8.509 1.00 1.76 C ATOM 755 CD GLN A 104 -9.563 6.140 -9.774 1.00 2.14 C ATOM 756 OE1 GLN A 104 -9.064 6.639 -10.764 1.00 2.64 O ATOM 757 NE2 GLN A 104 -10.819 5.787 -9.785 1.00 2.70 N ATOM 0 H GLN A 104 -5.590 6.953 -6.705 1.00 0.81 H new ATOM 0 HA GLN A 104 -6.939 4.383 -7.262 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -6.858 6.714 -9.236 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -7.161 5.056 -9.716 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -9.080 5.032 -7.982 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -8.854 6.763 -7.829 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -11.238 5.368 -8.955 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -11.382 5.930 -10.624 1.00 2.70 H new ATOM 766 N ARG A 105 -4.524 5.639 -9.091 1.00 0.83 N ATOM 767 CA ARG A 105 -3.147 5.355 -9.583 1.00 0.87 C ATOM 768 C ARG A 105 -2.127 5.686 -8.490 1.00 0.74 C ATOM 769 O ARG A 105 -0.960 5.359 -8.599 1.00 0.70 O ATOM 770 CB ARG A 105 -2.862 6.210 -10.820 1.00 1.06 C ATOM 771 CG ARG A 105 -4.071 6.176 -11.760 1.00 1.71 C ATOM 772 CD ARG A 105 -4.419 4.725 -12.117 1.00 1.99 C ATOM 773 NE ARG A 105 -5.180 4.705 -13.398 1.00 2.86 N ATOM 774 CZ ARG A 105 -5.340 3.584 -14.047 1.00 3.60 C ATOM 775 NH1 ARG A 105 -4.845 2.476 -13.567 1.00 3.73 N ATOM 776 NH2 ARG A 105 -5.996 3.570 -15.176 1.00 4.61 N ATOM 0 H ARG A 105 -4.999 6.413 -9.556 1.00 0.83 H new ATOM 0 HA ARG A 105 -3.068 4.299 -9.841 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -2.649 7.237 -10.523 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -1.977 5.837 -11.336 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -4.926 6.657 -11.284 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -3.853 6.740 -12.667 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -3.509 4.133 -12.212 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -5.012 4.274 -11.321 1.00 1.99 H new ATOM 0 HE ARG A 105 -5.577 5.569 -13.768 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -4.333 2.486 -12.685 1.00 3.73 H new ATOM 0 HH12 ARG A 105 -4.970 1.600 -14.074 1.00 3.73 H new ATOM 0 HH21 ARG A 105 -6.384 4.436 -15.551 1.00 4.61 H new ATOM 0 HH22 ARG A 105 -6.121 2.694 -15.683 1.00 4.61 H new ATOM 790 N ARG A 106 -2.551 6.331 -7.436 1.00 0.71 N ATOM 791 CA ARG A 106 -1.594 6.674 -6.347 1.00 0.65 C ATOM 792 C ARG A 106 -0.853 5.404 -5.926 1.00 0.54 C ATOM 793 O ARG A 106 0.282 5.447 -5.493 1.00 0.50 O ATOM 794 CB ARG A 106 -2.364 7.254 -5.152 1.00 0.70 C ATOM 795 CG ARG A 106 -1.402 8.037 -4.242 1.00 1.01 C ATOM 796 CD ARG A 106 -2.171 8.664 -3.055 1.00 1.24 C ATOM 797 NE ARG A 106 -1.747 10.088 -2.856 1.00 1.86 N ATOM 798 CZ ARG A 106 -0.483 10.427 -2.843 1.00 2.48 C ATOM 799 NH1 ARG A 106 0.446 9.515 -2.911 1.00 2.86 N ATOM 800 NH2 ARG A 106 -0.150 11.683 -2.731 1.00 3.29 N ATOM 0 H ARG A 106 -3.513 6.633 -7.283 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.877 7.416 -6.698 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -3.160 7.910 -5.504 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -2.839 6.450 -4.589 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -0.623 7.372 -3.868 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -0.905 8.820 -4.815 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -3.244 8.620 -3.243 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -1.983 8.091 -2.147 1.00 1.24 H new ATOM 0 HE ARG A 106 -2.458 10.808 -2.728 1.00 1.86 H new ATOM 0 HH11 ARG A 106 0.190 8.530 -2.975 1.00 2.86 H new ATOM 0 HH12 ARG A 106 1.429 9.787 -2.900 1.00 2.86 H new ATOM 0 HH21 ARG A 106 -0.874 12.398 -2.654 1.00 3.29 H new ATOM 0 HH22 ARG A 106 0.834 11.951 -2.721 1.00 3.29 H new ATOM 814 N GLN A 107 -1.487 4.271 -6.062 1.00 0.55 N ATOM 815 CA GLN A 107 -0.822 2.992 -5.685 1.00 0.52 C ATOM 816 C GLN A 107 0.392 2.775 -6.592 1.00 0.49 C ATOM 817 O GLN A 107 1.429 2.316 -6.160 1.00 0.44 O ATOM 818 CB GLN A 107 -1.808 1.835 -5.865 1.00 0.63 C ATOM 819 CG GLN A 107 -1.259 0.575 -5.190 1.00 1.11 C ATOM 820 CD GLN A 107 -2.347 -0.497 -5.160 1.00 1.53 C ATOM 821 OE1 GLN A 107 -2.119 -1.622 -5.560 1.00 2.13 O ATOM 822 NE2 GLN A 107 -3.530 -0.194 -4.701 1.00 2.12 N ATOM 0 H GLN A 107 -2.438 4.176 -6.418 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.501 3.034 -4.644 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -2.774 2.098 -5.434 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -1.973 1.648 -6.926 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -0.387 0.209 -5.732 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -0.931 0.805 -4.176 1.00 1.11 H new ATOM 0 HE21 GLN A 107 -3.720 0.750 -4.366 1.00 2.12 H new ATOM 0 HE22 GLN A 107 -4.264 -0.901 -4.678 1.00 2.12 H new ATOM 831 N ASP A 108 0.274 3.107 -7.850 1.00 0.56 N ATOM 832 CA ASP A 108 1.427 2.924 -8.777 1.00 0.59 C ATOM 833 C ASP A 108 2.614 3.748 -8.272 1.00 0.54 C ATOM 834 O ASP A 108 3.745 3.305 -8.290 1.00 0.54 O ATOM 835 CB ASP A 108 1.037 3.396 -10.178 1.00 0.72 C ATOM 836 CG ASP A 108 -0.155 2.577 -10.679 1.00 0.81 C ATOM 837 OD1 ASP A 108 -0.901 2.088 -9.847 1.00 1.33 O ATOM 838 OD2 ASP A 108 -0.301 2.456 -11.883 1.00 1.42 O ATOM 0 H ASP A 108 -0.568 3.496 -8.274 1.00 0.56 H new ATOM 0 HA ASP A 108 1.702 1.870 -8.816 1.00 0.59 H new ATOM 0 HB2 ASP A 108 0.781 4.455 -10.158 1.00 0.72 H new ATOM 0 HB3 ASP A 108 1.881 3.284 -10.859 1.00 0.72 H new ATOM 843 N ILE A 109 2.362 4.946 -7.817 1.00 0.55 N ATOM 844 CA ILE A 109 3.472 5.800 -7.306 1.00 0.54 C ATOM 845 C ILE A 109 4.136 5.087 -6.122 1.00 0.47 C ATOM 846 O ILE A 109 5.344 5.075 -5.990 1.00 0.53 O ATOM 847 CB ILE A 109 2.905 7.162 -6.867 1.00 0.59 C ATOM 848 CG1 ILE A 109 2.626 8.023 -8.107 1.00 0.70 C ATOM 849 CG2 ILE A 109 3.911 7.892 -5.968 1.00 0.63 C ATOM 850 CD1 ILE A 109 1.579 7.344 -8.994 1.00 1.47 C ATOM 0 H ILE A 109 1.435 5.370 -7.777 1.00 0.55 H new ATOM 0 HA ILE A 109 4.214 5.967 -8.086 1.00 0.54 H new ATOM 0 HB ILE A 109 1.982 6.996 -6.312 1.00 0.59 H new ATOM 0 HG12 ILE A 109 2.273 9.008 -7.803 1.00 0.70 H new ATOM 0 HG13 ILE A 109 3.547 8.174 -8.669 1.00 0.70 H new ATOM 0 HG21 ILE A 109 3.497 8.854 -5.665 1.00 0.63 H new ATOM 0 HG22 ILE A 109 4.113 7.289 -5.083 1.00 0.63 H new ATOM 0 HG23 ILE A 109 4.839 8.053 -6.516 1.00 0.63 H new ATOM 0 HD11 ILE A 109 1.388 7.963 -9.871 1.00 1.47 H new ATOM 0 HD12 ILE A 109 1.948 6.369 -9.312 1.00 1.47 H new ATOM 0 HD13 ILE A 109 0.654 7.216 -8.432 1.00 1.47 H new ATOM 862 N LEU A 110 3.356 4.490 -5.265 1.00 0.43 N ATOM 863 CA LEU A 110 3.942 3.775 -4.097 1.00 0.39 C ATOM 864 C LEU A 110 4.915 2.707 -4.606 1.00 0.38 C ATOM 865 O LEU A 110 6.096 2.740 -4.321 1.00 0.38 O ATOM 866 CB LEU A 110 2.810 3.120 -3.292 1.00 0.42 C ATOM 867 CG LEU A 110 3.371 2.150 -2.244 1.00 0.44 C ATOM 868 CD1 LEU A 110 4.399 2.866 -1.363 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.221 1.641 -1.371 1.00 0.66 C ATOM 0 H LEU A 110 2.338 4.466 -5.323 1.00 0.43 H new ATOM 0 HA LEU A 110 4.479 4.473 -3.455 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.217 3.890 -2.799 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.141 2.585 -3.967 1.00 0.42 H new ATOM 0 HG LEU A 110 3.856 1.314 -2.748 1.00 0.44 H new ATOM 0 HD11 LEU A 110 4.791 2.169 -0.622 1.00 0.56 H new ATOM 0 HD12 LEU A 110 5.216 3.234 -1.983 1.00 0.56 H new ATOM 0 HD13 LEU A 110 3.922 3.705 -0.856 1.00 0.56 H new ATOM 0 HD21 LEU A 110 2.610 0.951 -0.623 1.00 0.66 H new ATOM 0 HD22 LEU A 110 1.742 2.484 -0.873 1.00 0.66 H new ATOM 0 HD23 LEU A 110 1.491 1.126 -1.995 1.00 0.66 H new ATOM 881 N ASP A 111 4.423 1.756 -5.353 1.00 0.40 N ATOM 882 CA ASP A 111 5.307 0.677 -5.880 1.00 0.42 C ATOM 883 C ASP A 111 6.467 1.283 -6.675 1.00 0.43 C ATOM 884 O ASP A 111 7.598 0.852 -6.559 1.00 0.42 O ATOM 885 CB ASP A 111 4.496 -0.245 -6.792 1.00 0.50 C ATOM 886 CG ASP A 111 3.326 -0.839 -6.005 1.00 0.59 C ATOM 887 OD1 ASP A 111 2.439 -0.086 -5.642 1.00 1.30 O ATOM 888 OD2 ASP A 111 3.338 -2.038 -5.781 1.00 1.19 O ATOM 0 H ASP A 111 3.442 1.680 -5.622 1.00 0.40 H new ATOM 0 HA ASP A 111 5.709 0.109 -5.041 1.00 0.42 H new ATOM 0 HB2 ASP A 111 4.124 0.312 -7.652 1.00 0.50 H new ATOM 0 HB3 ASP A 111 5.131 -1.042 -7.178 1.00 0.50 H new ATOM 893 N LEU A 112 6.203 2.270 -7.487 1.00 0.48 N ATOM 894 CA LEU A 112 7.301 2.884 -8.290 1.00 0.52 C ATOM 895 C LEU A 112 8.323 3.523 -7.351 1.00 0.48 C ATOM 896 O LEU A 112 9.517 3.392 -7.537 1.00 0.47 O ATOM 897 CB LEU A 112 6.720 3.957 -9.222 1.00 0.60 C ATOM 898 CG LEU A 112 7.762 4.359 -10.290 1.00 0.70 C ATOM 899 CD1 LEU A 112 7.724 3.377 -11.470 1.00 1.45 C ATOM 900 CD2 LEU A 112 7.454 5.767 -10.812 1.00 1.26 C ATOM 0 H LEU A 112 5.279 2.677 -7.630 1.00 0.48 H new ATOM 0 HA LEU A 112 7.788 2.112 -8.887 1.00 0.52 H new ATOM 0 HB2 LEU A 112 5.820 3.579 -9.706 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.427 4.832 -8.642 1.00 0.60 H new ATOM 0 HG LEU A 112 8.750 4.338 -9.831 1.00 0.70 H new ATOM 0 HD11 LEU A 112 8.463 3.673 -12.214 1.00 1.45 H new ATOM 0 HD12 LEU A 112 7.950 2.372 -11.114 1.00 1.45 H new ATOM 0 HD13 LEU A 112 6.732 3.388 -11.921 1.00 1.45 H new ATOM 0 HD21 LEU A 112 8.192 6.045 -11.565 1.00 1.26 H new ATOM 0 HD22 LEU A 112 6.459 5.781 -11.257 1.00 1.26 H new ATOM 0 HD23 LEU A 112 7.492 6.478 -9.986 1.00 1.26 H new ATOM 912 N TRP A 113 7.869 4.210 -6.343 1.00 0.48 N ATOM 913 CA TRP A 113 8.821 4.849 -5.394 1.00 0.48 C ATOM 914 C TRP A 113 9.827 3.798 -4.912 1.00 0.43 C ATOM 915 O TRP A 113 11.018 4.032 -4.892 1.00 0.45 O ATOM 916 CB TRP A 113 8.042 5.421 -4.206 1.00 0.52 C ATOM 917 CG TRP A 113 8.992 5.887 -3.149 1.00 0.56 C ATOM 918 CD1 TRP A 113 9.620 7.084 -3.135 1.00 0.66 C ATOM 919 CD2 TRP A 113 9.428 5.183 -1.953 1.00 0.55 C ATOM 920 NE1 TRP A 113 10.416 7.158 -2.004 1.00 0.70 N ATOM 921 CE2 TRP A 113 10.330 6.009 -1.243 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.128 3.918 -1.422 1.00 0.51 C ATOM 923 CZ2 TRP A 113 10.915 5.592 -0.047 1.00 0.70 C ATOM 924 CZ3 TRP A 113 9.714 3.493 -0.219 1.00 0.58 C ATOM 925 CH2 TRP A 113 10.606 4.329 0.468 1.00 0.67 C ATOM 0 H TRP A 113 6.881 4.357 -6.135 1.00 0.48 H new ATOM 0 HA TRP A 113 9.358 5.659 -5.888 1.00 0.48 H new ATOM 0 HB2 TRP A 113 7.417 6.251 -4.536 1.00 0.52 H new ATOM 0 HB3 TRP A 113 7.375 4.661 -3.798 1.00 0.52 H new ATOM 0 HD1 TRP A 113 9.518 7.856 -3.883 1.00 0.66 H new ATOM 0 HE1 TRP A 113 10.995 7.963 -1.763 1.00 0.70 H new ATOM 0 HE3 TRP A 113 8.441 3.267 -1.943 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 11.602 6.240 0.477 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 9.477 2.518 0.179 1.00 0.58 H new ATOM 0 HH2 TRP A 113 11.054 3.998 1.393 1.00 0.67 H new ATOM 936 N ILE A 114 9.360 2.638 -4.532 1.00 0.39 N ATOM 937 CA ILE A 114 10.296 1.577 -4.064 1.00 0.37 C ATOM 938 C ILE A 114 11.297 1.264 -5.179 1.00 0.39 C ATOM 939 O ILE A 114 12.454 0.986 -4.932 1.00 0.44 O ATOM 940 CB ILE A 114 9.512 0.304 -3.724 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.351 0.642 -2.786 1.00 0.37 C ATOM 942 CG2 ILE A 114 10.437 -0.701 -3.030 1.00 0.42 C ATOM 943 CD1 ILE A 114 7.489 -0.605 -2.576 1.00 1.00 C ATOM 0 H ILE A 114 8.373 2.381 -4.526 1.00 0.39 H new ATOM 0 HA ILE A 114 10.822 1.927 -3.175 1.00 0.37 H new ATOM 0 HB ILE A 114 9.123 -0.128 -4.646 1.00 0.37 H new ATOM 0 HG12 ILE A 114 8.733 0.999 -1.830 1.00 0.37 H new ATOM 0 HG13 ILE A 114 7.749 1.447 -3.209 1.00 0.37 H new ATOM 0 HG21 ILE A 114 9.877 -1.605 -2.789 1.00 0.42 H new ATOM 0 HG22 ILE A 114 11.264 -0.952 -3.694 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.828 -0.262 -2.112 1.00 0.42 H new ATOM 0 HD11 ILE A 114 6.661 -0.367 -1.908 1.00 1.00 H new ATOM 0 HD12 ILE A 114 7.096 -0.941 -3.535 1.00 1.00 H new ATOM 0 HD13 ILE A 114 8.095 -1.396 -2.135 1.00 1.00 H new ATOM 955 N TYR A 115 10.849 1.291 -6.403 1.00 0.40 N ATOM 956 CA TYR A 115 11.757 0.977 -7.542 1.00 0.46 C ATOM 957 C TYR A 115 12.887 2.013 -7.636 1.00 0.51 C ATOM 958 O TYR A 115 14.050 1.689 -7.500 1.00 0.54 O ATOM 959 CB TYR A 115 10.942 0.980 -8.843 1.00 0.53 C ATOM 960 CG TYR A 115 11.670 0.189 -9.906 1.00 0.59 C ATOM 961 CD1 TYR A 115 11.616 -1.209 -9.892 1.00 0.56 C ATOM 962 CD2 TYR A 115 12.396 0.853 -10.901 1.00 0.74 C ATOM 963 CE1 TYR A 115 12.287 -1.945 -10.875 1.00 0.65 C ATOM 964 CE2 TYR A 115 13.069 0.116 -11.884 1.00 0.82 C ATOM 965 CZ TYR A 115 13.014 -1.283 -11.870 1.00 0.77 C ATOM 966 OH TYR A 115 13.677 -2.010 -12.839 1.00 0.87 O ATOM 0 H TYR A 115 9.890 1.518 -6.665 1.00 0.40 H new ATOM 0 HA TYR A 115 12.204 -0.004 -7.382 1.00 0.46 H new ATOM 0 HB2 TYR A 115 9.957 0.548 -8.667 1.00 0.53 H new ATOM 0 HB3 TYR A 115 10.785 2.004 -9.182 1.00 0.53 H new ATOM 0 HD1 TYR A 115 11.056 -1.720 -9.123 1.00 0.56 H new ATOM 0 HD2 TYR A 115 12.437 1.932 -10.911 1.00 0.74 H new ATOM 0 HE1 TYR A 115 12.244 -3.024 -10.865 1.00 0.65 H new ATOM 0 HE2 TYR A 115 13.630 0.627 -12.652 1.00 0.82 H new ATOM 0 HH TYR A 115 14.132 -1.397 -13.454 1.00 0.87 H new ATOM 976 N HIS A 116 12.555 3.251 -7.890 1.00 0.58 N ATOM 977 CA HIS A 116 13.608 4.303 -8.019 1.00 0.67 C ATOM 978 C HIS A 116 14.383 4.471 -6.707 1.00 0.67 C ATOM 979 O HIS A 116 15.141 5.407 -6.558 1.00 0.81 O ATOM 980 CB HIS A 116 12.948 5.636 -8.381 1.00 0.79 C ATOM 981 CG HIS A 116 12.358 5.550 -9.763 1.00 1.20 C ATOM 982 ND1 HIS A 116 12.528 4.439 -10.574 1.00 1.99 N ATOM 983 CD2 HIS A 116 11.600 6.433 -10.490 1.00 2.05 C ATOM 984 CE1 HIS A 116 11.884 4.679 -11.730 1.00 2.71 C ATOM 985 NE2 HIS A 116 11.301 5.880 -11.732 1.00 2.74 N ATOM 0 H HIS A 116 11.598 3.581 -8.014 1.00 0.58 H new ATOM 0 HA HIS A 116 14.305 3.998 -8.799 1.00 0.67 H new ATOM 0 HB2 HIS A 116 12.169 5.876 -7.657 1.00 0.79 H new ATOM 0 HB3 HIS A 116 13.682 6.440 -8.338 1.00 0.79 H new ATOM 0 HD2 HIS A 116 11.284 7.408 -10.150 1.00 2.05 H new ATOM 0 HE1 HIS A 116 11.843 3.985 -12.556 1.00 2.71 H new ATOM 0 HE2 HIS A 116 10.754 6.302 -12.482 1.00 2.74 H new ATOM 993 N THR A 117 14.199 3.587 -5.753 1.00 0.63 N ATOM 994 CA THR A 117 14.933 3.712 -4.448 1.00 0.68 C ATOM 995 C THR A 117 15.684 2.415 -4.136 1.00 0.66 C ATOM 996 O THR A 117 16.861 2.282 -4.409 1.00 0.73 O ATOM 997 CB THR A 117 13.932 3.992 -3.326 1.00 0.80 C ATOM 998 OG1 THR A 117 12.969 2.950 -3.282 1.00 0.85 O ATOM 999 CG2 THR A 117 13.234 5.328 -3.586 1.00 0.91 C ATOM 0 H THR A 117 13.573 2.784 -5.820 1.00 0.63 H new ATOM 0 HA THR A 117 15.648 4.531 -4.523 1.00 0.68 H new ATOM 0 HB THR A 117 14.457 4.040 -2.372 1.00 0.80 H new ATOM 0 HG1 THR A 117 12.143 3.249 -3.717 1.00 0.85 H new ATOM 0 HG21 THR A 117 12.521 5.527 -2.786 1.00 0.91 H new ATOM 0 HG22 THR A 117 13.976 6.126 -3.618 1.00 0.91 H new ATOM 0 HG23 THR A 117 12.707 5.284 -4.539 1.00 0.91 H new ATOM 1007 N GLN A 118 15.011 1.465 -3.548 1.00 0.73 N ATOM 1008 CA GLN A 118 15.676 0.181 -3.190 1.00 0.83 C ATOM 1009 C GLN A 118 15.761 -0.729 -4.419 1.00 0.72 C ATOM 1010 O GLN A 118 16.479 -1.709 -4.427 1.00 0.91 O ATOM 1011 CB GLN A 118 14.848 -0.507 -2.109 1.00 1.06 C ATOM 1012 CG GLN A 118 14.738 0.404 -0.886 1.00 1.48 C ATOM 1013 CD GLN A 118 13.778 -0.214 0.132 1.00 2.12 C ATOM 1014 OE1 GLN A 118 12.740 -0.887 -0.289 1.00 2.89 O flip ATOM 1015 NE2 GLN A 118 13.973 -0.084 1.324 1.00 2.13 N flip ATOM 0 H GLN A 118 14.024 1.523 -3.299 1.00 0.73 H new ATOM 0 HA GLN A 118 16.685 0.379 -2.829 1.00 0.83 H new ATOM 0 HB2 GLN A 118 13.854 -0.740 -2.492 1.00 1.06 H new ATOM 0 HB3 GLN A 118 15.312 -1.453 -1.829 1.00 1.06 H new ATOM 0 HG2 GLN A 118 15.721 0.544 -0.435 1.00 1.48 H new ATOM 0 HG3 GLN A 118 14.381 1.389 -1.185 1.00 1.48 H new ATOM 0 HE21 GLN A 118 14.783 0.441 1.654 1.00 2.13 H new ATOM 0 HE22 GLN A 118 13.327 -0.500 1.995 1.00 2.13 H new ATOM 1024 N GLY A 119 15.046 -0.406 -5.458 1.00 0.86 N ATOM 1025 CA GLY A 119 15.099 -1.246 -6.689 1.00 0.85 C ATOM 1026 C GLY A 119 14.431 -2.604 -6.449 1.00 0.65 C ATOM 1027 O GLY A 119 14.608 -3.527 -7.218 1.00 0.67 O ATOM 0 H GLY A 119 14.427 0.403 -5.510 1.00 0.86 H new ATOM 0 HA2 GLY A 119 14.600 -0.730 -7.509 1.00 0.85 H new ATOM 0 HA3 GLY A 119 16.136 -1.394 -6.990 1.00 0.85 H new ATOM 1031 N TYR A 120 13.655 -2.745 -5.405 1.00 0.54 N ATOM 1032 CA TYR A 120 12.987 -4.058 -5.170 1.00 0.44 C ATOM 1033 C TYR A 120 11.881 -4.226 -6.216 1.00 0.49 C ATOM 1034 O TYR A 120 11.158 -3.299 -6.522 1.00 0.70 O ATOM 1035 CB TYR A 120 12.377 -4.095 -3.755 1.00 0.48 C ATOM 1036 CG TYR A 120 13.404 -4.580 -2.745 1.00 0.52 C ATOM 1037 CD1 TYR A 120 13.944 -5.871 -2.851 1.00 0.58 C ATOM 1038 CD2 TYR A 120 13.809 -3.743 -1.701 1.00 0.60 C ATOM 1039 CE1 TYR A 120 14.887 -6.314 -1.913 1.00 0.71 C ATOM 1040 CE2 TYR A 120 14.749 -4.186 -0.765 1.00 0.71 C ATOM 1041 CZ TYR A 120 15.289 -5.472 -0.870 1.00 0.75 C ATOM 1042 OH TYR A 120 16.217 -5.907 0.054 1.00 0.91 O ATOM 0 H TYR A 120 13.458 -2.020 -4.715 1.00 0.54 H new ATOM 0 HA TYR A 120 13.713 -4.867 -5.254 1.00 0.44 H new ATOM 0 HB2 TYR A 120 12.027 -3.101 -3.477 1.00 0.48 H new ATOM 0 HB3 TYR A 120 11.508 -4.753 -3.744 1.00 0.48 H new ATOM 0 HD1 TYR A 120 13.633 -6.523 -3.654 1.00 0.58 H new ATOM 0 HD2 TYR A 120 13.394 -2.749 -1.617 1.00 0.60 H new ATOM 0 HE1 TYR A 120 15.304 -7.307 -1.995 1.00 0.71 H new ATOM 0 HE2 TYR A 120 15.058 -3.535 0.039 1.00 0.71 H new ATOM 0 HH TYR A 120 16.384 -5.198 0.709 1.00 0.91 H new ATOM 1052 N PHE A 121 11.751 -5.399 -6.771 1.00 0.48 N ATOM 1053 CA PHE A 121 10.697 -5.625 -7.803 1.00 0.57 C ATOM 1054 C PHE A 121 9.345 -5.861 -7.097 1.00 0.55 C ATOM 1055 O PHE A 121 9.283 -6.597 -6.132 1.00 0.59 O ATOM 1056 CB PHE A 121 11.077 -6.858 -8.639 1.00 0.68 C ATOM 1057 CG PHE A 121 10.400 -6.796 -9.991 1.00 1.42 C ATOM 1058 CD1 PHE A 121 9.102 -7.291 -10.144 1.00 2.33 C ATOM 1059 CD2 PHE A 121 11.076 -6.246 -11.088 1.00 2.32 C ATOM 1060 CE1 PHE A 121 8.476 -7.236 -11.395 1.00 3.43 C ATOM 1061 CE2 PHE A 121 10.450 -6.193 -12.340 1.00 3.44 C ATOM 1062 CZ PHE A 121 9.150 -6.689 -12.493 1.00 3.85 C ATOM 0 H PHE A 121 12.328 -6.212 -6.555 1.00 0.48 H new ATOM 0 HA PHE A 121 10.613 -4.757 -8.457 1.00 0.57 H new ATOM 0 HB2 PHE A 121 12.159 -6.902 -8.767 1.00 0.68 H new ATOM 0 HB3 PHE A 121 10.781 -7.767 -8.116 1.00 0.68 H new ATOM 0 HD1 PHE A 121 8.582 -7.716 -9.298 1.00 2.33 H new ATOM 0 HD2 PHE A 121 12.079 -5.863 -10.968 1.00 2.32 H new ATOM 0 HE1 PHE A 121 7.472 -7.616 -11.513 1.00 3.43 H new ATOM 0 HE2 PHE A 121 10.970 -5.770 -13.187 1.00 3.44 H new ATOM 0 HZ PHE A 121 8.667 -6.650 -13.458 1.00 3.85 H new ATOM 1072 N PRO A 122 8.271 -5.246 -7.550 1.00 0.64 N ATOM 1073 CA PRO A 122 6.927 -5.416 -6.912 1.00 0.67 C ATOM 1074 C PRO A 122 6.249 -6.752 -7.263 1.00 0.73 C ATOM 1075 O PRO A 122 5.071 -6.801 -7.558 1.00 1.19 O ATOM 1076 CB PRO A 122 6.129 -4.233 -7.475 1.00 0.80 C ATOM 1077 CG PRO A 122 6.706 -4.017 -8.834 1.00 1.05 C ATOM 1078 CD PRO A 122 8.200 -4.324 -8.705 1.00 0.87 C ATOM 0 HA PRO A 122 6.994 -5.434 -5.824 1.00 0.67 H new ATOM 0 HB2 PRO A 122 5.064 -4.459 -7.526 1.00 0.80 H new ATOM 0 HB3 PRO A 122 6.237 -3.346 -6.851 1.00 0.80 H new ATOM 0 HG2 PRO A 122 6.234 -4.671 -9.568 1.00 1.05 H new ATOM 0 HG3 PRO A 122 6.545 -2.992 -9.169 1.00 1.05 H new ATOM 0 HD2 PRO A 122 8.593 -4.786 -9.611 1.00 0.87 H new ATOM 0 HD3 PRO A 122 8.781 -3.418 -8.531 1.00 0.87 H new ATOM 1086 N ASP A 123 6.972 -7.840 -7.216 1.00 0.56 N ATOM 1087 CA ASP A 123 6.347 -9.162 -7.529 1.00 0.64 C ATOM 1088 C ASP A 123 5.713 -9.724 -6.256 1.00 0.58 C ATOM 1089 O ASP A 123 5.251 -10.847 -6.222 1.00 0.65 O ATOM 1090 CB ASP A 123 7.414 -10.137 -8.030 1.00 0.74 C ATOM 1091 CG ASP A 123 8.620 -10.108 -7.088 1.00 0.77 C ATOM 1092 OD1 ASP A 123 9.196 -9.045 -6.929 1.00 1.27 O ATOM 1093 OD2 ASP A 123 8.944 -11.148 -6.541 1.00 1.38 O ATOM 0 H ASP A 123 7.963 -7.872 -6.976 1.00 0.56 H new ATOM 0 HA ASP A 123 5.589 -9.031 -8.301 1.00 0.64 H new ATOM 0 HB2 ASP A 123 7.004 -11.146 -8.081 1.00 0.74 H new ATOM 0 HB3 ASP A 123 7.722 -9.867 -9.040 1.00 0.74 H new ATOM 1098 N TRP A 124 5.701 -8.948 -5.201 1.00 0.53 N ATOM 1099 CA TRP A 124 5.116 -9.418 -3.907 1.00 0.52 C ATOM 1100 C TRP A 124 3.750 -8.778 -3.695 1.00 0.51 C ATOM 1101 O TRP A 124 2.933 -9.247 -2.927 1.00 0.55 O ATOM 1102 CB TRP A 124 6.046 -9.001 -2.767 1.00 0.49 C ATOM 1103 CG TRP A 124 6.349 -7.540 -2.895 1.00 0.43 C ATOM 1104 CD1 TRP A 124 7.375 -7.016 -3.607 1.00 0.44 C ATOM 1105 CD2 TRP A 124 5.633 -6.407 -2.320 1.00 0.42 C ATOM 1106 NE1 TRP A 124 7.339 -5.638 -3.496 1.00 0.42 N ATOM 1107 CE2 TRP A 124 6.284 -5.214 -2.717 1.00 0.41 C ATOM 1108 CE3 TRP A 124 4.494 -6.299 -1.501 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 5.823 -3.960 -2.317 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 4.027 -5.036 -1.096 1.00 0.58 C ATOM 1111 CH2 TRP A 124 4.691 -3.871 -1.503 1.00 0.55 C ATOM 0 H TRP A 124 6.075 -7.999 -5.181 1.00 0.53 H new ATOM 0 HA TRP A 124 5.006 -10.502 -3.928 1.00 0.52 H new ATOM 0 HB2 TRP A 124 5.577 -9.205 -1.805 1.00 0.49 H new ATOM 0 HB3 TRP A 124 6.968 -9.581 -2.802 1.00 0.49 H new ATOM 0 HD1 TRP A 124 8.103 -7.582 -4.170 1.00 0.44 H new ATOM 0 HE1 TRP A 124 8.012 -5.011 -3.937 1.00 0.42 H new ATOM 0 HE3 TRP A 124 3.976 -7.191 -1.182 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 6.337 -3.065 -2.634 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 3.152 -4.963 -0.468 1.00 0.58 H new ATOM 0 HH2 TRP A 124 4.328 -2.904 -1.187 1.00 0.55 H new ATOM 1122 N GLN A 125 3.511 -7.704 -4.369 1.00 0.53 N ATOM 1123 CA GLN A 125 2.208 -6.991 -4.227 1.00 0.60 C ATOM 1124 C GLN A 125 1.123 -7.719 -5.029 1.00 0.66 C ATOM 1125 O GLN A 125 1.082 -7.643 -6.240 1.00 0.84 O ATOM 1126 CB GLN A 125 2.365 -5.553 -4.739 1.00 0.69 C ATOM 1127 CG GLN A 125 1.015 -4.821 -4.687 1.00 1.56 C ATOM 1128 CD GLN A 125 0.182 -5.170 -5.925 1.00 2.18 C ATOM 1129 OE1 GLN A 125 -0.707 -5.996 -5.859 1.00 2.78 O ATOM 1130 NE2 GLN A 125 0.435 -4.572 -7.057 1.00 2.82 N ATOM 0 H GLN A 125 4.165 -7.276 -5.024 1.00 0.53 H new ATOM 0 HA GLN A 125 1.913 -6.974 -3.178 1.00 0.60 H new ATOM 0 HB2 GLN A 125 3.099 -5.022 -4.133 1.00 0.69 H new ATOM 0 HB3 GLN A 125 2.743 -5.562 -5.761 1.00 0.69 H new ATOM 0 HG2 GLN A 125 0.474 -5.102 -3.783 1.00 1.56 H new ATOM 0 HG3 GLN A 125 1.177 -3.744 -4.639 1.00 1.56 H new ATOM 0 HE21 GLN A 125 1.181 -3.879 -7.112 1.00 2.82 H new ATOM 0 HE22 GLN A 125 -0.113 -4.798 -7.887 1.00 2.82 H new ATOM 1139 N ASN A 126 0.237 -8.417 -4.362 1.00 0.64 N ATOM 1140 CA ASN A 126 -0.848 -9.142 -5.090 1.00 0.72 C ATOM 1141 C ASN A 126 -2.016 -9.426 -4.134 1.00 0.69 C ATOM 1142 O ASN A 126 -2.094 -10.477 -3.534 1.00 1.22 O ATOM 1143 CB ASN A 126 -0.304 -10.468 -5.630 1.00 0.84 C ATOM 1144 CG ASN A 126 0.748 -10.194 -6.708 1.00 0.89 C ATOM 1145 OD1 ASN A 126 0.495 -9.471 -7.651 1.00 1.53 O ATOM 1146 ND2 ASN A 126 1.927 -10.746 -6.608 1.00 0.88 N ATOM 0 H ASN A 126 0.219 -8.515 -3.347 1.00 0.64 H new ATOM 0 HA ASN A 126 -1.198 -8.524 -5.917 1.00 0.72 H new ATOM 0 HB2 ASN A 126 0.135 -11.049 -4.819 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -1.117 -11.064 -6.045 1.00 0.84 H new ATOM 0 HD21 ASN A 126 2.635 -10.570 -7.321 1.00 0.88 H new ATOM 0 HD22 ASN A 126 2.140 -11.353 -5.817 1.00 0.88 H new ATOM 1153 N TYR A 127 -2.921 -8.495 -3.986 1.00 0.69 N ATOM 1154 CA TYR A 127 -4.084 -8.711 -3.068 1.00 0.61 C ATOM 1155 C TYR A 127 -5.020 -9.776 -3.650 1.00 0.63 C ATOM 1156 O TYR A 127 -4.612 -10.624 -4.416 1.00 0.75 O ATOM 1157 CB TYR A 127 -4.849 -7.385 -2.885 1.00 0.65 C ATOM 1158 CG TYR A 127 -3.889 -6.222 -3.013 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -2.685 -6.226 -2.297 1.00 0.98 C ATOM 1160 CD2 TYR A 127 -4.198 -5.144 -3.853 1.00 0.93 C ATOM 1161 CE1 TYR A 127 -1.794 -5.153 -2.417 1.00 1.19 C ATOM 1162 CE2 TYR A 127 -3.308 -4.071 -3.973 1.00 1.14 C ATOM 1163 CZ TYR A 127 -2.106 -4.075 -3.256 1.00 1.23 C ATOM 1164 OH TYR A 127 -1.228 -3.017 -3.378 1.00 1.48 O ATOM 0 H TYR A 127 -2.907 -7.592 -4.461 1.00 0.69 H new ATOM 0 HA TYR A 127 -3.718 -9.054 -2.100 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -5.638 -7.302 -3.633 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -5.333 -7.364 -1.908 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -2.444 -7.058 -1.652 1.00 0.98 H new ATOM 0 HD2 TYR A 127 -5.124 -5.141 -4.408 1.00 0.93 H new ATOM 0 HE1 TYR A 127 -0.867 -5.156 -1.863 1.00 1.19 H new ATOM 0 HE2 TYR A 127 -3.549 -3.240 -4.619 1.00 1.14 H new ATOM 0 HH TYR A 127 -1.356 -2.585 -4.248 1.00 1.48 H new ATOM 1174 N THR A 128 -6.276 -9.732 -3.286 1.00 0.62 N ATOM 1175 CA THR A 128 -7.240 -10.747 -3.816 1.00 0.68 C ATOM 1176 C THR A 128 -8.683 -10.276 -3.607 1.00 0.75 C ATOM 1177 O THR A 128 -8.968 -9.498 -2.718 1.00 0.97 O ATOM 1178 CB THR A 128 -7.054 -12.065 -3.059 1.00 0.86 C ATOM 1179 OG1 THR A 128 -8.264 -12.809 -3.069 1.00 1.22 O ATOM 1180 CG2 THR A 128 -6.693 -11.767 -1.612 1.00 0.90 C ATOM 0 H THR A 128 -6.675 -9.043 -2.649 1.00 0.62 H new ATOM 0 HA THR A 128 -7.049 -10.882 -4.881 1.00 0.68 H new ATOM 0 HB THR A 128 -6.263 -12.638 -3.543 1.00 0.86 H new ATOM 0 HG1 THR A 128 -8.134 -13.651 -2.584 1.00 1.22 H new ATOM 0 HG21 THR A 128 -6.560 -12.703 -1.070 1.00 0.90 H new ATOM 0 HG22 THR A 128 -5.767 -11.194 -1.579 1.00 0.90 H new ATOM 0 HG23 THR A 128 -7.493 -11.190 -1.149 1.00 0.90 H new ATOM 1249 N ARG A 134 -9.617 -4.856 1.265 1.00 0.51 N ATOM 1250 CA ARG A 134 -8.696 -5.639 0.377 1.00 0.49 C ATOM 1251 C ARG A 134 -7.618 -6.323 1.227 1.00 0.40 C ATOM 1252 O ARG A 134 -6.882 -5.670 1.955 1.00 0.38 O ATOM 1253 CB ARG A 134 -8.047 -4.715 -0.654 1.00 0.58 C ATOM 1254 CG ARG A 134 -9.108 -3.760 -1.218 1.00 1.06 C ATOM 1255 CD ARG A 134 -8.611 -3.154 -2.533 1.00 1.37 C ATOM 1256 NE ARG A 134 -8.701 -4.178 -3.611 1.00 1.86 N ATOM 1257 CZ ARG A 134 -8.628 -3.817 -4.862 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -8.489 -2.557 -5.171 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -8.698 -4.717 -5.804 1.00 3.36 N ATOM 0 HA ARG A 134 -9.270 -6.400 -0.151 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -7.239 -4.148 -0.193 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -7.605 -5.303 -1.459 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -10.042 -4.296 -1.384 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -9.318 -2.969 -0.498 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -9.209 -2.281 -2.794 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -7.581 -2.814 -2.424 1.00 1.37 H new ATOM 0 HE ARG A 134 -8.820 -5.162 -3.371 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -8.437 -1.854 -4.434 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -8.432 -2.275 -6.150 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -8.810 -5.701 -5.562 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -8.641 -4.436 -6.783 1.00 3.36 H new ATOM 1273 N TYR A 135 -7.533 -7.639 1.141 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.521 -8.410 1.939 1.00 0.39 C ATOM 1275 C TYR A 135 -5.270 -8.710 1.076 1.00 0.36 C ATOM 1276 O TYR A 135 -5.382 -8.891 -0.127 1.00 0.39 O ATOM 1277 CB TYR A 135 -7.147 -9.745 2.384 1.00 0.46 C ATOM 1278 CG TYR A 135 -7.993 -9.552 3.625 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -9.322 -9.127 3.512 1.00 0.72 C ATOM 1280 CD2 TYR A 135 -7.447 -9.813 4.888 1.00 0.66 C ATOM 1281 CE1 TYR A 135 -10.105 -8.964 4.662 1.00 0.91 C ATOM 1282 CE2 TYR A 135 -8.228 -9.647 6.038 1.00 0.85 C ATOM 1283 CZ TYR A 135 -9.557 -9.223 5.925 1.00 0.92 C ATOM 1284 OH TYR A 135 -10.331 -9.065 7.057 1.00 1.17 O ATOM 0 H TYR A 135 -8.129 -8.213 0.545 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.226 -7.818 2.805 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -7.760 -10.151 1.579 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -6.360 -10.473 2.584 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -9.744 -8.925 2.538 1.00 0.72 H new ATOM 0 HD2 TYR A 135 -6.422 -10.143 4.975 1.00 0.66 H new ATOM 0 HE1 TYR A 135 -11.131 -8.639 4.575 1.00 0.91 H new ATOM 0 HE2 TYR A 135 -7.805 -9.846 7.012 1.00 0.85 H new ATOM 0 HH TYR A 135 -9.800 -9.287 7.850 1.00 1.17 H new ATOM 1294 N PRO A 136 -4.090 -8.801 1.684 1.00 0.37 N ATOM 1295 CA PRO A 136 -2.821 -9.125 0.957 1.00 0.38 C ATOM 1296 C PRO A 136 -2.532 -10.632 0.908 1.00 0.37 C ATOM 1297 O PRO A 136 -2.587 -11.312 1.914 1.00 0.38 O ATOM 1298 CB PRO A 136 -1.776 -8.442 1.823 1.00 0.42 C ATOM 1299 CG PRO A 136 -2.276 -8.658 3.215 1.00 0.51 C ATOM 1300 CD PRO A 136 -3.812 -8.592 3.127 1.00 0.44 C ATOM 0 HA PRO A 136 -2.850 -8.804 -0.084 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -0.788 -8.880 1.680 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -1.692 -7.381 1.588 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -1.948 -9.623 3.602 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -1.890 -7.895 3.891 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.282 -9.360 3.741 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -4.192 -7.631 3.473 1.00 0.44 H new ATOM 1308 N LEU A 137 -2.205 -11.157 -0.240 1.00 0.40 N ATOM 1309 CA LEU A 137 -1.894 -12.614 -0.319 1.00 0.43 C ATOM 1310 C LEU A 137 -0.557 -12.895 0.373 1.00 0.41 C ATOM 1311 O LEU A 137 -0.472 -13.717 1.264 1.00 0.38 O ATOM 1312 CB LEU A 137 -1.824 -13.060 -1.784 1.00 0.51 C ATOM 1313 CG LEU A 137 -3.216 -12.961 -2.419 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -3.113 -13.215 -3.926 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -4.174 -13.997 -1.799 1.00 0.92 C ATOM 0 H LEU A 137 -2.140 -10.646 -1.121 1.00 0.40 H new ATOM 0 HA LEU A 137 -2.684 -13.173 0.183 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -1.118 -12.435 -2.331 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -1.457 -14.085 -1.846 1.00 0.51 H new ATOM 0 HG LEU A 137 -3.608 -11.961 -2.233 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -4.103 -13.144 -4.375 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -2.456 -12.471 -4.376 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -2.706 -14.211 -4.100 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -5.156 -13.909 -2.264 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -3.782 -15.000 -1.966 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -4.263 -13.815 -0.728 1.00 0.92 H new ATOM 1327 N THR A 138 0.491 -12.226 -0.031 1.00 0.50 N ATOM 1328 CA THR A 138 1.815 -12.471 0.609 1.00 0.55 C ATOM 1329 C THR A 138 1.749 -12.074 2.083 1.00 0.47 C ATOM 1330 O THR A 138 0.957 -11.245 2.483 1.00 0.50 O ATOM 1331 CB THR A 138 2.900 -11.650 -0.109 1.00 0.73 C ATOM 1332 OG1 THR A 138 2.353 -10.408 -0.523 1.00 0.98 O ATOM 1333 CG2 THR A 138 3.406 -12.418 -1.332 1.00 1.04 C ATOM 0 H THR A 138 0.487 -11.525 -0.772 1.00 0.50 H new ATOM 0 HA THR A 138 2.065 -13.529 0.533 1.00 0.55 H new ATOM 0 HB THR A 138 3.731 -11.475 0.574 1.00 0.73 H new ATOM 0 HG1 THR A 138 2.682 -10.188 -1.419 1.00 0.98 H new ATOM 0 HG21 THR A 138 4.174 -11.832 -1.837 1.00 1.04 H new ATOM 0 HG22 THR A 138 3.827 -13.372 -1.014 1.00 1.04 H new ATOM 0 HG23 THR A 138 2.578 -12.598 -2.017 1.00 1.04 H new ATOM 1341 N PHE A 139 2.576 -12.674 2.893 1.00 0.51 N ATOM 1342 CA PHE A 139 2.578 -12.361 4.354 1.00 0.49 C ATOM 1343 C PHE A 139 3.683 -11.347 4.669 1.00 0.65 C ATOM 1344 O PHE A 139 4.612 -11.168 3.909 1.00 1.43 O ATOM 1345 CB PHE A 139 2.832 -13.653 5.134 1.00 0.52 C ATOM 1346 CG PHE A 139 2.808 -13.371 6.619 1.00 0.50 C ATOM 1347 CD1 PHE A 139 1.599 -13.059 7.253 1.00 0.67 C ATOM 1348 CD2 PHE A 139 3.994 -13.429 7.365 1.00 0.59 C ATOM 1349 CE1 PHE A 139 1.575 -12.804 8.630 1.00 0.77 C ATOM 1350 CE2 PHE A 139 3.969 -13.174 8.741 1.00 0.62 C ATOM 1351 CZ PHE A 139 2.759 -12.861 9.373 1.00 0.66 C ATOM 0 H PHE A 139 3.258 -13.375 2.604 1.00 0.51 H new ATOM 0 HA PHE A 139 1.616 -11.935 4.639 1.00 0.49 H new ATOM 0 HB2 PHE A 139 2.073 -14.394 4.884 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.796 -14.075 4.851 1.00 0.52 H new ATOM 0 HD1 PHE A 139 0.685 -13.015 6.680 1.00 0.67 H new ATOM 0 HD2 PHE A 139 4.927 -13.671 6.878 1.00 0.59 H new ATOM 0 HE1 PHE A 139 0.642 -12.563 9.118 1.00 0.77 H new ATOM 0 HE2 PHE A 139 4.883 -13.219 9.315 1.00 0.62 H new ATOM 0 HZ PHE A 139 2.740 -12.664 10.435 1.00 0.66 H new ATOM 1361 N GLY A 140 3.587 -10.683 5.791 1.00 0.46 N ATOM 1362 CA GLY A 140 4.631 -9.683 6.176 1.00 0.43 C ATOM 1363 C GLY A 140 4.168 -8.276 5.794 1.00 0.35 C ATOM 1364 O GLY A 140 4.392 -7.323 6.513 1.00 0.32 O ATOM 0 H GLY A 140 2.826 -10.790 6.462 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.819 -9.735 7.248 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.571 -9.915 5.676 1.00 0.43 H new ATOM 1368 N TRP A 141 3.525 -8.138 4.671 1.00 0.34 N ATOM 1369 CA TRP A 141 3.049 -6.787 4.247 1.00 0.29 C ATOM 1370 C TRP A 141 1.804 -6.425 5.060 1.00 0.32 C ATOM 1371 O TRP A 141 0.719 -6.915 4.822 1.00 0.40 O ATOM 1372 CB TRP A 141 2.752 -6.814 2.744 1.00 0.33 C ATOM 1373 CG TRP A 141 2.519 -5.431 2.206 1.00 0.31 C ATOM 1374 CD1 TRP A 141 1.433 -5.077 1.481 1.00 0.35 C ATOM 1375 CD2 TRP A 141 3.357 -4.228 2.299 1.00 0.28 C ATOM 1376 NE1 TRP A 141 1.537 -3.744 1.130 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.697 -3.176 1.611 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.603 -3.935 2.904 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 3.242 -1.897 1.525 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 5.149 -2.644 2.814 1.00 0.31 C ATOM 1381 CH2 TRP A 141 4.470 -1.629 2.127 1.00 0.33 C ATOM 0 H TRP A 141 3.307 -8.898 4.027 1.00 0.34 H new ATOM 0 HA TRP A 141 3.811 -6.029 4.430 1.00 0.29 H new ATOM 0 HB2 TRP A 141 3.586 -7.276 2.215 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.874 -7.432 2.556 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.615 -5.732 1.218 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.839 -3.241 0.581 1.00 0.33 H new ATOM 0 HE3 TRP A 141 5.136 -4.708 3.437 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.716 -1.117 0.995 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 6.101 -2.432 3.278 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.898 -0.639 2.064 1.00 0.33 H new ATOM 1392 N CYS A 142 1.981 -5.592 6.052 1.00 0.31 N ATOM 1393 CA CYS A 142 0.857 -5.203 6.943 1.00 0.40 C ATOM 1394 C CYS A 142 0.053 -4.044 6.358 1.00 0.39 C ATOM 1395 O CYS A 142 -0.072 -2.996 6.962 1.00 0.48 O ATOM 1396 CB CYS A 142 1.448 -4.812 8.293 1.00 0.47 C ATOM 1397 SG CYS A 142 2.879 -5.871 8.636 1.00 1.45 S ATOM 0 H CYS A 142 2.875 -5.159 6.283 1.00 0.31 H new ATOM 0 HA CYS A 142 0.170 -6.042 7.051 1.00 0.40 H new ATOM 0 HB2 CYS A 142 1.748 -3.764 8.284 1.00 0.47 H new ATOM 0 HB3 CYS A 142 0.700 -4.923 9.078 1.00 0.47 H new ATOM 0 HG CYS A 142 3.157 -6.579 7.582 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.497 -4.235 5.195 1.00 0.38 N ATOM 1404 CA TYR A 143 -1.321 -3.165 4.535 1.00 0.40 C ATOM 1405 C TYR A 143 -2.772 -3.669 4.369 1.00 0.43 C ATOM 1406 O TYR A 143 -3.021 -4.724 3.828 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.644 -2.811 3.174 1.00 0.55 C ATOM 1408 CG TYR A 143 -1.524 -3.127 1.969 1.00 1.43 C ATOM 1409 CD1 TYR A 143 -1.795 -4.456 1.640 1.00 2.16 C ATOM 1410 CD2 TYR A 143 -2.049 -2.098 1.179 1.00 2.17 C ATOM 1411 CE1 TYR A 143 -2.594 -4.760 0.530 1.00 3.14 C ATOM 1412 CE2 TYR A 143 -2.845 -2.399 0.069 1.00 3.14 C ATOM 1413 CZ TYR A 143 -3.119 -3.730 -0.256 1.00 3.52 C ATOM 1414 OH TYR A 143 -3.905 -4.027 -1.351 1.00 4.57 O ATOM 0 H TYR A 143 -0.414 -5.098 4.658 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.369 -2.259 5.139 1.00 0.40 H new ATOM 0 HB2 TYR A 143 -0.393 -1.750 3.165 1.00 0.55 H new ATOM 0 HB3 TYR A 143 0.293 -3.361 3.087 1.00 0.55 H new ATOM 0 HD1 TYR A 143 -1.387 -5.253 2.244 1.00 2.16 H new ATOM 0 HD2 TYR A 143 -1.839 -1.068 1.427 1.00 2.17 H new ATOM 0 HE1 TYR A 143 -2.804 -5.790 0.282 1.00 3.14 H new ATOM 0 HE2 TYR A 143 -3.248 -1.602 -0.538 1.00 3.14 H new ATOM 0 HH TYR A 143 -3.334 -4.295 -2.101 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.733 -2.920 4.857 1.00 0.39 N ATOM 1425 CA LYS A 144 -5.170 -3.339 4.734 1.00 0.51 C ATOM 1426 C LYS A 144 -5.987 -2.147 4.233 1.00 0.43 C ATOM 1427 O LYS A 144 -6.172 -1.180 4.945 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.698 -3.782 6.109 1.00 0.70 C ATOM 1429 CG LYS A 144 -5.330 -5.247 6.364 1.00 1.21 C ATOM 1430 CD LYS A 144 -5.940 -5.702 7.692 1.00 1.24 C ATOM 1431 CE LYS A 144 -5.883 -7.227 7.784 1.00 1.57 C ATOM 1432 NZ LYS A 144 -4.505 -7.692 7.458 1.00 2.32 N ATOM 0 H LYS A 144 -3.585 -2.033 5.337 1.00 0.39 H new ATOM 0 HA LYS A 144 -5.256 -4.170 4.034 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -5.275 -3.151 6.891 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -6.780 -3.658 6.150 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -5.697 -5.872 5.550 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -4.246 -5.362 6.391 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -5.397 -5.256 8.525 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -6.973 -5.361 7.766 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -6.161 -7.552 8.787 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -6.601 -7.671 7.094 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -4.428 -8.711 7.651 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -4.307 -7.514 6.453 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -3.817 -7.176 8.043 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.492 -2.192 3.025 1.00 0.40 N ATOM 1447 CA LEU A 145 -7.300 -1.026 2.543 1.00 0.37 C ATOM 1448 C LEU A 145 -8.702 -1.120 3.150 1.00 0.38 C ATOM 1449 O LEU A 145 -9.215 -2.199 3.370 1.00 0.41 O ATOM 1450 CB LEU A 145 -7.384 -1.020 1.008 1.00 0.42 C ATOM 1451 CG LEU A 145 -6.085 -0.442 0.400 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -5.903 -0.975 -1.026 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -6.153 1.097 0.354 1.00 0.52 C ATOM 0 H LEU A 145 -6.385 -2.963 2.366 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.821 -0.098 2.854 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -7.545 -2.034 0.642 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -8.239 -0.426 0.686 1.00 0.42 H new ATOM 0 HG LEU A 145 -5.244 -0.747 1.023 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -4.987 -0.567 -1.453 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -5.839 -2.063 -1.002 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -6.754 -0.675 -1.638 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -5.232 1.489 -0.076 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -7.000 1.406 -0.259 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -6.276 1.486 1.365 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.318 0.002 3.428 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.684 -0.006 4.047 1.00 0.50 C ATOM 1467 C VAL A 146 -11.381 1.332 3.711 1.00 0.59 C ATOM 1468 O VAL A 146 -10.765 2.376 3.782 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.532 -0.093 5.584 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -11.906 -0.118 6.270 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -9.762 -1.358 5.977 1.00 0.56 C ATOM 0 H VAL A 146 -8.933 0.930 3.252 1.00 0.43 H new ATOM 0 HA VAL A 146 -11.262 -0.850 3.671 1.00 0.50 H new ATOM 0 HB VAL A 146 -9.981 0.789 5.910 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -11.772 -0.179 7.350 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.453 0.792 6.023 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.470 -0.985 5.924 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -9.665 -1.402 7.062 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -10.302 -2.237 5.625 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -8.771 -1.336 5.524 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.655 1.319 3.364 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.406 2.574 3.043 1.00 0.81 C ATOM 1483 C PRO A 147 -13.738 3.382 4.306 1.00 0.91 C ATOM 1484 O PRO A 147 -13.777 2.851 5.399 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.691 2.063 2.372 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.914 0.711 2.966 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.521 0.128 3.232 1.00 0.75 C ATOM 0 HA PRO A 147 -12.828 3.250 2.413 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.533 2.727 2.570 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -14.577 2.007 1.289 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.490 0.781 3.889 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -15.479 0.075 2.285 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.508 -0.478 4.138 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -13.194 -0.515 2.414 1.00 0.75 H new ATOM 1780 N LEU A 181 -10.272 4.263 -1.354 1.00 0.58 N ATOM 1781 CA LEU A 181 -10.120 3.726 0.042 1.00 0.52 C ATOM 1782 C LEU A 181 -8.851 4.309 0.670 1.00 0.47 C ATOM 1783 O LEU A 181 -8.072 4.945 0.003 1.00 0.51 O ATOM 1784 CB LEU A 181 -9.985 2.197 -0.013 1.00 0.60 C ATOM 1785 CG LEU A 181 -11.091 1.591 -0.890 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -10.778 0.118 -1.160 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -12.438 1.694 -0.170 1.00 0.87 C ATOM 0 HA LEU A 181 -10.992 4.001 0.635 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -9.007 1.926 -0.412 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -10.044 1.784 0.994 1.00 0.60 H new ATOM 0 HG LEU A 181 -11.140 2.137 -1.832 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -11.563 -0.313 -1.782 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -9.821 0.038 -1.676 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -10.727 -0.422 -0.215 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -13.219 1.263 -0.796 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -12.389 1.151 0.774 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -12.667 2.742 0.026 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.643 4.100 1.954 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.415 4.639 2.637 1.00 0.45 C ATOM 1801 C GLU A 182 -6.526 3.510 3.165 1.00 0.42 C ATOM 1802 O GLU A 182 -6.978 2.428 3.480 1.00 0.43 O ATOM 1803 CB GLU A 182 -7.832 5.536 3.806 1.00 0.49 C ATOM 1804 CG GLU A 182 -8.477 4.684 4.904 1.00 0.56 C ATOM 1805 CD GLU A 182 -9.214 5.589 5.894 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -8.690 6.647 6.202 1.00 1.62 O ATOM 1807 OE2 GLU A 182 -10.290 5.210 6.325 1.00 1.49 O ATOM 0 H GLU A 182 -9.274 3.577 2.561 1.00 0.45 H new ATOM 0 HA GLU A 182 -6.846 5.210 1.904 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -6.963 6.061 4.203 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -8.534 6.296 3.462 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -9.172 3.970 4.462 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -7.714 4.105 5.424 1.00 0.56 H new ATOM 1814 N TRP A 183 -5.249 3.789 3.267 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.276 2.784 3.781 1.00 0.38 C ATOM 1816 C TRP A 183 -4.433 2.614 5.293 1.00 0.37 C ATOM 1817 O TRP A 183 -4.032 3.463 6.064 1.00 0.43 O ATOM 1818 CB TRP A 183 -2.831 3.258 3.481 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.333 2.707 2.183 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -1.878 1.449 2.027 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.192 3.360 0.890 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -1.475 1.274 0.715 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -1.647 2.427 -0.027 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.483 4.651 0.430 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -1.401 2.773 -1.358 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -2.234 5.003 -0.906 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -1.694 4.066 -1.798 1.00 0.41 C ATOM 0 H TRP A 183 -4.837 4.686 3.011 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.470 1.831 3.288 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -2.803 4.347 3.450 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -2.169 2.945 4.288 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -1.835 0.698 2.802 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -1.098 0.403 0.342 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -2.902 5.380 1.108 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -0.987 2.046 -2.042 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -2.460 6.002 -1.249 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -1.505 4.344 -2.824 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.961 1.500 5.723 1.00 0.35 N ATOM 1839 CA ARG A 184 -5.083 1.249 7.187 1.00 0.35 C ATOM 1840 C ARG A 184 -3.880 0.395 7.593 1.00 0.31 C ATOM 1841 O ARG A 184 -3.924 -0.821 7.564 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.397 0.504 7.481 1.00 0.40 C ATOM 1843 CG ARG A 184 -6.812 0.709 8.953 1.00 0.98 C ATOM 1844 CD ARG A 184 -7.592 2.023 9.113 1.00 1.51 C ATOM 1845 NE ARG A 184 -8.143 2.107 10.495 1.00 1.57 N ATOM 1846 CZ ARG A 184 -8.581 3.249 10.955 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -8.533 4.316 10.206 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -9.068 3.321 12.165 1.00 2.61 N ATOM 0 H ARG A 184 -5.313 0.753 5.124 1.00 0.35 H new ATOM 0 HA ARG A 184 -5.098 2.183 7.749 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -7.184 0.867 6.820 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -6.274 -0.559 7.276 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -7.426 -0.128 9.284 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -5.926 0.725 9.588 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -6.938 2.873 8.918 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -8.401 2.070 8.384 1.00 1.51 H new ATOM 0 HE ARG A 184 -8.178 1.273 11.082 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -8.154 4.259 9.261 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -8.875 5.207 10.565 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -9.106 2.486 12.750 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -9.410 4.212 12.525 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.794 1.029 7.938 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.566 0.269 8.317 1.00 0.31 C ATOM 1864 C PHE A 185 -1.806 -0.483 9.630 1.00 0.31 C ATOM 1865 O PHE A 185 -2.428 0.024 10.541 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.401 1.250 8.492 1.00 0.40 C ATOM 1867 CG PHE A 185 0.900 0.489 8.622 1.00 0.44 C ATOM 1868 CD1 PHE A 185 1.410 -0.208 7.522 1.00 0.62 C ATOM 1869 CD2 PHE A 185 1.598 0.483 9.838 1.00 0.65 C ATOM 1870 CE1 PHE A 185 2.614 -0.910 7.636 1.00 0.74 C ATOM 1871 CE2 PHE A 185 2.801 -0.219 9.952 1.00 0.75 C ATOM 1872 CZ PHE A 185 3.310 -0.916 8.851 1.00 0.71 C ATOM 0 H PHE A 185 -2.702 2.044 7.974 1.00 0.31 H new ATOM 0 HA PHE A 185 -1.327 -0.450 7.533 1.00 0.31 H new ATOM 0 HB2 PHE A 185 -0.353 1.926 7.639 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -0.562 1.865 9.377 1.00 0.40 H new ATOM 0 HD1 PHE A 185 0.874 -0.204 6.584 1.00 0.62 H new ATOM 0 HD2 PHE A 185 1.205 1.022 10.688 1.00 0.65 H new ATOM 0 HE1 PHE A 185 3.007 -1.448 6.786 1.00 0.74 H new ATOM 0 HE2 PHE A 185 3.337 -0.223 10.889 1.00 0.75 H new ATOM 0 HZ PHE A 185 4.240 -1.459 8.938 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.322 -1.694 9.728 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.525 -2.487 10.972 1.00 0.32 C ATOM 1884 C ASP A 186 -0.374 -3.485 11.124 1.00 0.30 C ATOM 1885 O ASP A 186 -0.548 -4.674 10.958 1.00 0.32 O ATOM 1886 CB ASP A 186 -2.848 -3.239 10.848 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.335 -3.673 12.232 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -2.571 -4.317 12.930 1.00 1.23 O ATOM 1889 OD2 ASP A 186 -4.463 -3.352 12.570 1.00 1.16 O ATOM 0 H ASP A 186 -0.793 -2.168 8.996 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.548 -1.834 11.844 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.595 -2.602 10.374 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.721 -4.112 10.208 1.00 0.37 H new ATOM 1894 N SER A 187 0.801 -2.994 11.429 1.00 0.33 N ATOM 1895 CA SER A 187 1.993 -3.883 11.585 1.00 0.34 C ATOM 1896 C SER A 187 1.638 -5.143 12.390 1.00 0.35 C ATOM 1897 O SER A 187 2.409 -6.080 12.444 1.00 0.37 O ATOM 1898 CB SER A 187 3.099 -3.117 12.313 1.00 0.40 C ATOM 1899 OG SER A 187 2.536 -2.410 13.410 1.00 1.32 O ATOM 0 H SER A 187 0.987 -2.002 11.578 1.00 0.33 H new ATOM 0 HA SER A 187 2.331 -4.188 10.594 1.00 0.34 H new ATOM 0 HB2 SER A 187 3.865 -3.808 12.665 1.00 0.40 H new ATOM 0 HB3 SER A 187 3.587 -2.422 11.629 1.00 0.40 H new ATOM 0 HG SER A 187 3.242 -1.919 13.880 1.00 1.32 H new ATOM 1905 N ARG A 188 0.493 -5.185 13.017 1.00 0.40 N ATOM 1906 CA ARG A 188 0.138 -6.402 13.803 1.00 0.46 C ATOM 1907 C ARG A 188 0.054 -7.595 12.844 1.00 0.42 C ATOM 1908 O ARG A 188 0.167 -8.737 13.242 1.00 0.43 O ATOM 1909 CB ARG A 188 -1.213 -6.193 14.508 1.00 0.58 C ATOM 1910 CG ARG A 188 -1.312 -7.115 15.729 1.00 1.40 C ATOM 1911 CD ARG A 188 -2.753 -7.135 16.245 1.00 1.75 C ATOM 1912 NE ARG A 188 -3.641 -7.751 15.220 1.00 2.37 N ATOM 1913 CZ ARG A 188 -4.842 -8.147 15.550 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -5.263 -8.002 16.777 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -5.620 -8.687 14.653 1.00 3.87 N ATOM 0 H ARG A 188 -0.204 -4.440 13.020 1.00 0.40 H new ATOM 0 HA ARG A 188 0.898 -6.592 14.561 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -1.315 -5.153 14.818 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -2.030 -6.401 13.817 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -0.997 -8.124 15.461 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -0.639 -6.769 16.514 1.00 1.40 H new ATOM 0 HD2 ARG A 188 -2.809 -7.699 17.176 1.00 1.75 H new ATOM 0 HD3 ARG A 188 -3.085 -6.121 16.466 1.00 1.75 H new ATOM 0 HE ARG A 188 -3.312 -7.864 14.261 1.00 2.37 H new ATOM 0 HH11 ARG A 188 -4.655 -7.580 17.478 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -6.200 -8.311 17.034 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -5.291 -8.800 13.694 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -6.557 -8.996 14.910 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.128 -7.331 11.578 1.00 0.43 N ATOM 1930 CA LEU A 189 -0.202 -8.436 10.582 1.00 0.46 C ATOM 1931 C LEU A 189 1.135 -9.191 10.589 1.00 0.41 C ATOM 1932 O LEU A 189 1.301 -10.196 9.928 1.00 0.46 O ATOM 1933 CB LEU A 189 -0.469 -7.834 9.184 1.00 0.57 C ATOM 1934 CG LEU A 189 -1.414 -8.731 8.370 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -1.706 -8.064 7.023 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -0.756 -10.092 8.127 1.00 1.78 C ATOM 0 H LEU A 189 -0.229 -6.393 11.190 1.00 0.43 H new ATOM 0 HA LEU A 189 -1.008 -9.126 10.832 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -0.905 -6.841 9.289 1.00 0.57 H new ATOM 0 HB3 LEU A 189 0.474 -7.713 8.650 1.00 0.57 H new ATOM 0 HG LEU A 189 -2.343 -8.873 8.923 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -2.376 -8.697 6.441 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -2.176 -7.095 7.191 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -0.773 -7.925 6.476 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -1.430 -10.724 7.549 1.00 1.78 H new ATOM 0 HD22 LEU A 189 0.174 -9.953 7.575 1.00 1.78 H new ATOM 0 HD23 LEU A 189 -0.542 -10.569 9.084 1.00 1.78 H new ATOM 1948 N ALA A 190 2.091 -8.709 11.332 1.00 0.37 N ATOM 1949 CA ALA A 190 3.410 -9.395 11.375 1.00 0.42 C ATOM 1950 C ALA A 190 3.273 -10.673 12.200 1.00 0.44 C ATOM 1951 O ALA A 190 4.171 -11.490 12.257 1.00 0.53 O ATOM 1952 CB ALA A 190 4.443 -8.472 12.026 1.00 0.47 C ATOM 0 H ALA A 190 2.016 -7.872 11.910 1.00 0.37 H new ATOM 0 HA ALA A 190 3.736 -9.641 10.364 1.00 0.42 H new ATOM 0 HB1 ALA A 190 5.410 -8.974 12.058 1.00 0.47 H new ATOM 0 HB2 ALA A 190 4.529 -7.555 11.444 1.00 0.47 H new ATOM 0 HB3 ALA A 190 4.126 -8.230 13.040 1.00 0.47 H new ATOM 1958 N PHE A 191 2.145 -10.854 12.840 1.00 0.42 N ATOM 1959 CA PHE A 191 1.927 -12.081 13.667 1.00 0.51 C ATOM 1960 C PHE A 191 0.486 -12.570 13.488 1.00 0.56 C ATOM 1961 O PHE A 191 -0.108 -13.115 14.396 1.00 0.96 O ATOM 1962 CB PHE A 191 2.172 -11.752 15.142 1.00 0.58 C ATOM 1963 CG PHE A 191 3.534 -11.120 15.303 1.00 1.14 C ATOM 1964 CD1 PHE A 191 4.668 -11.927 15.471 1.00 1.81 C ATOM 1965 CD2 PHE A 191 3.665 -9.726 15.288 1.00 1.98 C ATOM 1966 CE1 PHE A 191 5.930 -11.339 15.623 1.00 2.75 C ATOM 1967 CE2 PHE A 191 4.928 -9.139 15.442 1.00 2.87 C ATOM 1968 CZ PHE A 191 6.060 -9.944 15.608 1.00 3.15 C ATOM 0 H PHE A 191 1.361 -10.201 12.825 1.00 0.42 H new ATOM 0 HA PHE A 191 2.618 -12.861 13.347 1.00 0.51 H new ATOM 0 HB2 PHE A 191 1.400 -11.074 15.506 1.00 0.58 H new ATOM 0 HB3 PHE A 191 2.108 -12.659 15.742 1.00 0.58 H new ATOM 0 HD1 PHE A 191 4.568 -13.002 15.483 1.00 1.81 H new ATOM 0 HD2 PHE A 191 2.792 -9.103 15.158 1.00 1.98 H new ATOM 0 HE1 PHE A 191 6.803 -11.961 15.752 1.00 2.75 H new ATOM 0 HE2 PHE A 191 5.028 -8.064 15.433 1.00 2.87 H new ATOM 0 HZ PHE A 191 7.033 -9.491 15.724 1.00 3.15 H new ATOM 1978 N HIS A 192 -0.085 -12.383 12.325 1.00 0.64 N ATOM 1979 CA HIS A 192 -1.490 -12.843 12.101 1.00 0.72 C ATOM 1980 C HIS A 192 -1.724 -13.091 10.609 1.00 0.67 C ATOM 1981 O HIS A 192 -2.293 -12.272 9.916 1.00 1.26 O ATOM 1982 CB HIS A 192 -2.463 -11.771 12.597 1.00 1.01 C ATOM 1983 CG HIS A 192 -3.880 -12.245 12.404 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -4.954 -11.370 12.380 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -4.414 -13.499 12.229 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -6.069 -12.101 12.198 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -5.797 -13.404 12.099 1.00 3.35 N ATOM 0 H HIS A 192 0.358 -11.934 11.524 1.00 0.64 H new ATOM 0 HA HIS A 192 -1.655 -13.770 12.650 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -2.280 -11.559 13.650 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -2.303 -10.840 12.052 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -3.847 -14.418 12.197 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -7.063 -11.684 12.139 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -6.460 -14.166 11.958 1.00 3.35 H new ATOM 1995 N HIS A 193 -1.296 -14.220 10.115 1.00 0.77 N ATOM 1996 CA HIS A 193 -1.494 -14.533 8.671 1.00 0.85 C ATOM 1997 C HIS A 193 -2.980 -14.781 8.400 1.00 0.74 C ATOM 1998 O HIS A 193 -3.434 -15.907 8.366 1.00 0.78 O ATOM 1999 CB HIS A 193 -0.701 -15.791 8.319 1.00 1.28 C ATOM 2000 CG HIS A 193 -0.959 -16.843 9.363 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -2.062 -16.796 10.202 1.00 2.84 N ATOM 2002 CD2 HIS A 193 -0.267 -17.975 9.718 1.00 2.99 C ATOM 2003 CE1 HIS A 193 -2.001 -17.867 11.013 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -0.926 -18.620 10.760 1.00 3.87 N ATOM 0 H HIS A 193 -0.816 -14.942 10.651 1.00 0.77 H new ATOM 0 HA HIS A 193 -1.149 -13.695 8.065 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -0.994 -16.157 7.335 1.00 1.28 H new ATOM 0 HB3 HIS A 193 0.364 -15.563 8.270 1.00 1.28 H new ATOM 0 HD2 HIS A 193 0.650 -18.313 9.258 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -2.732 -18.091 11.776 1.00 3.75 H new ATOM 0 HE2 HIS A 193 -0.649 -19.482 11.230 1.00 3.87 H new ATOM 2012 N MET A 194 -3.745 -13.740 8.216 1.00 0.73 N ATOM 2013 CA MET A 194 -5.203 -13.921 7.955 1.00 0.79 C ATOM 2014 C MET A 194 -5.437 -14.279 6.482 1.00 0.75 C ATOM 2015 O MET A 194 -6.040 -15.284 6.167 1.00 0.90 O ATOM 2016 CB MET A 194 -5.942 -12.621 8.292 1.00 0.91 C ATOM 2017 CG MET A 194 -7.438 -12.901 8.461 1.00 1.47 C ATOM 2018 SD MET A 194 -7.704 -13.866 9.972 1.00 2.35 S ATOM 2019 CE MET A 194 -9.465 -13.498 10.176 1.00 2.94 C ATOM 0 H MET A 194 -3.425 -12.772 8.235 1.00 0.73 H new ATOM 0 HA MET A 194 -5.580 -14.732 8.578 1.00 0.79 H new ATOM 0 HB2 MET A 194 -5.538 -12.190 9.208 1.00 0.91 H new ATOM 0 HB3 MET A 194 -5.787 -11.889 7.500 1.00 0.91 H new ATOM 0 HG2 MET A 194 -7.991 -11.963 8.513 1.00 1.47 H new ATOM 0 HG3 MET A 194 -7.817 -13.446 7.597 1.00 1.47 H new ATOM 0 HE1 MET A 194 -9.841 -14.003 11.066 1.00 2.94 H new ATOM 0 HE2 MET A 194 -9.602 -12.422 10.284 1.00 2.94 H new ATOM 0 HE3 MET A 194 -10.013 -13.847 9.301 1.00 2.94 H new ATOM 2029 N ALA A 195 -4.977 -13.456 5.577 1.00 0.66 N ATOM 2030 CA ALA A 195 -5.191 -13.745 4.128 1.00 0.76 C ATOM 2031 C ALA A 195 -4.800 -15.193 3.819 1.00 0.90 C ATOM 2032 O ALA A 195 -5.184 -15.745 2.807 1.00 1.11 O ATOM 2033 CB ALA A 195 -4.335 -12.796 3.286 1.00 0.82 C ATOM 0 H ALA A 195 -4.463 -12.598 5.778 1.00 0.66 H new ATOM 0 HA ALA A 195 -6.244 -13.600 3.888 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -4.491 -13.007 2.228 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -4.620 -11.765 3.496 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -3.283 -12.939 3.533 1.00 0.82 H new