USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 697 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 SER OG : rot -64:sc= -1.25 USER MOD Set 1.2: A 89 HIS : no HE2:sc= -2.37 X(o=-3.6,f=-3.2!) USER MOD Single : A 79 MET CE :methyl -152:sc= 0 (180deg=-0.239) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.62 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 158:sc= 0.107 (180deg=-0.561) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -156:sc= -0.0524 (180deg=-0.405) USER MOD Single : A 102 HIS : no HE2:sc= -2.3! C(o=-2.3!,f=-7.6!) USER MOD Single : A 103 SER OG : rot 180:sc= -0.0329 USER MOD Single : A 104 GLN : amide:sc= -1.57! K(o=-1.6!,f=-0.0018) USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.37) USER MOD Single : A 117 THR OG1 : rot -123:sc= 0.578 USER MOD Single : A 118 GLN : amide:sc= -12! C(o=-12!,f=-11!) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -6.28! C(o=-6.3!,f=-21!) USER MOD Single : A 126 ASN : amide:sc= -5.19! C(o=-5.2!,f=-3.3!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 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 -140:sc= 1.16 USER MOD Single : A 142 CYS SG : rot 95:sc= -4.42! USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ -157:sc= -0.189 (180deg=-0.932) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 192 HIS : no HD1:sc= -0.0642 X(o=-0.064,f=-0.43) USER MOD Single : A 193 HIS : no HE2:sc= -1.63 K(o=-1.6,f=-2.5!) USER MOD Single : A 194 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 18.988 -2.312 -9.132 1.00 1.04 N ATOM 275 CA VAL A 74 20.254 -3.069 -8.901 1.00 0.93 C ATOM 276 C VAL A 74 19.898 -4.568 -9.014 1.00 0.86 C ATOM 277 O VAL A 74 18.747 -4.892 -9.227 1.00 0.89 O ATOM 278 CB VAL A 74 20.789 -2.693 -7.498 1.00 1.09 C ATOM 279 CG1 VAL A 74 20.535 -1.201 -7.251 1.00 1.17 C ATOM 280 CG2 VAL A 74 20.097 -3.526 -6.396 1.00 1.38 C ATOM 0 HA VAL A 74 21.035 -2.834 -9.624 1.00 0.93 H new ATOM 0 HB VAL A 74 21.857 -2.906 -7.462 1.00 1.09 H new ATOM 0 HG11 VAL A 74 20.909 -0.927 -6.264 1.00 1.17 H new ATOM 0 HG12 VAL A 74 21.051 -0.613 -8.011 1.00 1.17 H new ATOM 0 HG13 VAL A 74 19.465 -1.001 -7.302 1.00 1.17 H new ATOM 0 HG21 VAL A 74 20.493 -3.240 -5.421 1.00 1.38 H new ATOM 0 HG22 VAL A 74 19.023 -3.341 -6.420 1.00 1.38 H new ATOM 0 HG23 VAL A 74 20.286 -4.586 -6.568 1.00 1.38 H new ATOM 290 N PRO A 75 20.830 -5.489 -8.890 1.00 0.93 N ATOM 291 CA PRO A 75 20.495 -6.941 -9.009 1.00 1.00 C ATOM 292 C PRO A 75 19.221 -7.288 -8.233 1.00 0.88 C ATOM 293 O PRO A 75 19.035 -6.872 -7.107 1.00 0.84 O ATOM 294 CB PRO A 75 21.729 -7.630 -8.432 1.00 1.18 C ATOM 295 CG PRO A 75 22.845 -6.705 -8.788 1.00 1.37 C ATOM 296 CD PRO A 75 22.270 -5.295 -8.624 1.00 1.13 C ATOM 0 HA PRO A 75 20.282 -7.252 -10.032 1.00 1.00 H new ATOM 0 HB2 PRO A 75 21.647 -7.763 -7.353 1.00 1.18 H new ATOM 0 HB3 PRO A 75 21.875 -8.620 -8.865 1.00 1.18 H new ATOM 0 HG2 PRO A 75 23.705 -6.857 -8.136 1.00 1.37 H new ATOM 0 HG3 PRO A 75 23.186 -6.874 -9.809 1.00 1.37 H new ATOM 0 HD2 PRO A 75 22.446 -4.902 -7.623 1.00 1.13 H new ATOM 0 HD3 PRO A 75 22.719 -4.592 -9.326 1.00 1.13 H new ATOM 304 N LEU A 76 18.326 -8.022 -8.839 1.00 0.86 N ATOM 305 CA LEU A 76 17.048 -8.364 -8.147 1.00 0.77 C ATOM 306 C LEU A 76 17.326 -9.184 -6.887 1.00 0.77 C ATOM 307 O LEU A 76 17.519 -10.383 -6.938 1.00 0.85 O ATOM 308 CB LEU A 76 16.141 -9.168 -9.090 1.00 0.84 C ATOM 309 CG LEU A 76 15.661 -8.293 -10.261 1.00 0.87 C ATOM 310 CD1 LEU A 76 14.810 -9.151 -11.202 1.00 1.01 C ATOM 311 CD2 LEU A 76 14.818 -7.106 -9.744 1.00 0.76 C ATOM 0 H LEU A 76 18.424 -8.399 -9.782 1.00 0.86 H new ATOM 0 HA LEU A 76 16.549 -7.437 -7.864 1.00 0.77 H new ATOM 0 HB2 LEU A 76 16.683 -10.033 -9.474 1.00 0.84 H new ATOM 0 HB3 LEU A 76 15.282 -9.549 -8.538 1.00 0.84 H new ATOM 0 HG LEU A 76 16.528 -7.897 -10.790 1.00 0.87 H new ATOM 0 HD11 LEU A 76 14.464 -8.542 -12.037 1.00 1.01 H new ATOM 0 HD12 LEU A 76 15.409 -9.979 -11.581 1.00 1.01 H new ATOM 0 HD13 LEU A 76 13.951 -9.544 -10.659 1.00 1.01 H new ATOM 0 HD21 LEU A 76 14.488 -6.499 -10.587 1.00 0.76 H new ATOM 0 HD22 LEU A 76 13.948 -7.484 -9.207 1.00 0.76 H new ATOM 0 HD23 LEU A 76 15.422 -6.496 -9.073 1.00 0.76 H new ATOM 323 N ARG A 77 17.328 -8.541 -5.751 1.00 0.74 N ATOM 324 CA ARG A 77 17.571 -9.270 -4.475 1.00 0.79 C ATOM 325 C ARG A 77 16.250 -9.911 -4.013 1.00 0.71 C ATOM 326 O ARG A 77 15.276 -9.213 -3.811 1.00 0.73 O ATOM 327 CB ARG A 77 18.039 -8.274 -3.413 1.00 0.85 C ATOM 328 CG ARG A 77 19.413 -7.726 -3.798 1.00 1.19 C ATOM 329 CD ARG A 77 19.846 -6.671 -2.777 1.00 1.52 C ATOM 330 NE ARG A 77 21.059 -5.963 -3.274 1.00 2.13 N ATOM 331 CZ ARG A 77 21.427 -4.836 -2.726 1.00 2.66 C ATOM 332 NH1 ARG A 77 20.738 -4.332 -1.738 1.00 2.73 N ATOM 333 NH2 ARG A 77 22.485 -4.211 -3.167 1.00 3.61 N ATOM 0 H ARG A 77 17.171 -7.538 -5.652 1.00 0.74 H new ATOM 0 HA ARG A 77 18.330 -10.038 -4.621 1.00 0.79 H new ATOM 0 HB2 ARG A 77 17.322 -7.458 -3.324 1.00 0.85 H new ATOM 0 HB3 ARG A 77 18.090 -8.761 -2.439 1.00 0.85 H new ATOM 0 HG2 ARG A 77 20.142 -8.535 -3.832 1.00 1.19 H new ATOM 0 HG3 ARG A 77 19.375 -7.288 -4.796 1.00 1.19 H new ATOM 0 HD2 ARG A 77 19.039 -5.958 -2.611 1.00 1.52 H new ATOM 0 HD3 ARG A 77 20.056 -7.144 -1.817 1.00 1.52 H new ATOM 0 HE ARG A 77 21.602 -6.358 -4.042 1.00 2.13 H new ATOM 0 HH11 ARG A 77 19.911 -4.819 -1.393 1.00 2.73 H new ATOM 0 HH12 ARG A 77 21.027 -3.452 -1.311 1.00 2.73 H new ATOM 0 HH21 ARG A 77 23.024 -4.603 -3.939 1.00 3.61 H new ATOM 0 HH22 ARG A 77 22.773 -3.331 -2.739 1.00 3.61 H new ATOM 347 N PRO A 78 16.188 -11.214 -3.839 1.00 0.79 N ATOM 348 CA PRO A 78 14.930 -11.882 -3.392 1.00 0.76 C ATOM 349 C PRO A 78 14.230 -11.104 -2.267 1.00 0.67 C ATOM 350 O PRO A 78 14.768 -10.942 -1.189 1.00 0.69 O ATOM 351 CB PRO A 78 15.414 -13.248 -2.893 1.00 0.86 C ATOM 352 CG PRO A 78 16.623 -13.550 -3.720 1.00 1.18 C ATOM 353 CD PRO A 78 17.276 -12.196 -4.039 1.00 1.06 C ATOM 0 HA PRO A 78 14.190 -11.948 -4.190 1.00 0.76 H new ATOM 0 HB2 PRO A 78 15.659 -13.217 -1.831 1.00 0.86 H new ATOM 0 HB3 PRO A 78 14.646 -14.011 -3.021 1.00 0.86 H new ATOM 0 HG2 PRO A 78 17.313 -14.197 -3.178 1.00 1.18 H new ATOM 0 HG3 PRO A 78 16.347 -14.074 -4.635 1.00 1.18 H new ATOM 0 HD2 PRO A 78 18.120 -11.995 -3.379 1.00 1.06 H new ATOM 0 HD3 PRO A 78 17.656 -12.167 -5.060 1.00 1.06 H new ATOM 361 N MET A 79 13.037 -10.624 -2.505 1.00 0.65 N ATOM 362 CA MET A 79 12.319 -9.867 -1.441 1.00 0.61 C ATOM 363 C MET A 79 12.069 -10.803 -0.257 1.00 0.51 C ATOM 364 O MET A 79 11.412 -11.817 -0.380 1.00 0.56 O ATOM 365 CB MET A 79 10.983 -9.349 -1.989 1.00 0.66 C ATOM 366 CG MET A 79 10.310 -8.461 -0.942 1.00 0.74 C ATOM 367 SD MET A 79 8.721 -7.877 -1.581 1.00 1.25 S ATOM 368 CE MET A 79 8.338 -6.735 -0.231 1.00 0.83 C ATOM 0 H MET A 79 12.532 -10.723 -3.386 1.00 0.65 H new ATOM 0 HA MET A 79 12.920 -9.017 -1.118 1.00 0.61 H new ATOM 0 HB2 MET A 79 11.149 -8.785 -2.907 1.00 0.66 H new ATOM 0 HB3 MET A 79 10.333 -10.186 -2.243 1.00 0.66 H new ATOM 0 HG2 MET A 79 10.160 -9.019 -0.018 1.00 0.74 H new ATOM 0 HG3 MET A 79 10.952 -7.613 -0.702 1.00 0.74 H new ATOM 0 HE1 MET A 79 7.257 -6.638 -0.132 1.00 0.83 H new ATOM 0 HE2 MET A 79 8.754 -7.119 0.700 1.00 0.83 H new ATOM 0 HE3 MET A 79 8.772 -5.758 -0.446 1.00 0.83 H new ATOM 378 N THR A 80 12.613 -10.482 0.889 1.00 0.56 N ATOM 379 CA THR A 80 12.437 -11.365 2.081 1.00 0.60 C ATOM 380 C THR A 80 11.161 -11.027 2.832 1.00 0.56 C ATOM 381 O THR A 80 10.766 -9.885 2.931 1.00 0.50 O ATOM 382 CB THR A 80 13.639 -11.210 3.021 1.00 0.77 C ATOM 383 OG1 THR A 80 13.553 -9.969 3.706 1.00 0.94 O ATOM 384 CG2 THR A 80 14.937 -11.263 2.210 1.00 0.73 C ATOM 0 H THR A 80 13.173 -9.645 1.051 1.00 0.56 H new ATOM 0 HA THR A 80 12.368 -12.395 1.732 1.00 0.60 H new ATOM 0 HB THR A 80 13.635 -12.023 3.748 1.00 0.77 H new ATOM 0 HG1 THR A 80 14.321 -9.873 4.307 1.00 0.94 H new ATOM 0 HG21 THR A 80 15.790 -11.153 2.880 1.00 0.73 H new ATOM 0 HG22 THR A 80 15.004 -12.220 1.692 1.00 0.73 H new ATOM 0 HG23 THR A 80 14.943 -10.454 1.479 1.00 0.73 H new ATOM 392 N TYR A 81 10.524 -12.024 3.400 1.00 0.61 N ATOM 393 CA TYR A 81 9.293 -11.763 4.192 1.00 0.60 C ATOM 394 C TYR A 81 9.663 -10.654 5.174 1.00 0.51 C ATOM 395 O TYR A 81 8.942 -9.695 5.370 1.00 0.45 O ATOM 396 CB TYR A 81 8.885 -13.064 4.929 1.00 0.69 C ATOM 397 CG TYR A 81 8.348 -12.770 6.317 1.00 0.60 C ATOM 398 CD1 TYR A 81 7.033 -12.318 6.484 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.172 -12.946 7.435 1.00 0.71 C ATOM 400 CE1 TYR A 81 6.544 -12.041 7.768 1.00 0.66 C ATOM 401 CE2 TYR A 81 8.684 -12.672 8.717 1.00 0.77 C ATOM 402 CZ TYR A 81 7.370 -12.220 8.885 1.00 0.73 C ATOM 403 OH TYR A 81 6.894 -11.949 10.151 1.00 0.90 O ATOM 0 H TYR A 81 10.807 -13.002 3.346 1.00 0.61 H new ATOM 0 HA TYR A 81 8.446 -11.460 3.577 1.00 0.60 H new ATOM 0 HB2 TYR A 81 8.127 -13.590 4.348 1.00 0.69 H new ATOM 0 HB3 TYR A 81 9.747 -13.727 5.004 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.395 -12.183 5.623 1.00 0.59 H new ATOM 0 HD2 TYR A 81 10.186 -13.294 7.307 1.00 0.71 H new ATOM 0 HE1 TYR A 81 5.531 -11.690 7.896 1.00 0.66 H new ATOM 0 HE2 TYR A 81 9.322 -12.809 9.578 1.00 0.77 H new ATOM 0 HH TYR A 81 7.597 -12.128 10.810 1.00 0.90 H new ATOM 413 N LYS A 82 10.822 -10.779 5.752 1.00 0.52 N ATOM 414 CA LYS A 82 11.311 -9.743 6.682 1.00 0.48 C ATOM 415 C LYS A 82 11.409 -8.421 5.923 1.00 0.40 C ATOM 416 O LYS A 82 11.255 -7.359 6.494 1.00 0.38 O ATOM 417 CB LYS A 82 12.693 -10.141 7.195 1.00 0.55 C ATOM 418 CG LYS A 82 13.130 -9.178 8.299 1.00 0.60 C ATOM 419 CD LYS A 82 14.451 -9.660 8.899 1.00 0.92 C ATOM 420 CE LYS A 82 15.056 -8.548 9.758 1.00 1.49 C ATOM 421 NZ LYS A 82 13.997 -7.957 10.623 1.00 2.32 N ATOM 0 H LYS A 82 11.455 -11.567 5.614 1.00 0.52 H new ATOM 0 HA LYS A 82 10.630 -9.639 7.527 1.00 0.48 H new ATOM 0 HB2 LYS A 82 12.669 -11.161 7.578 1.00 0.55 H new ATOM 0 HB3 LYS A 82 13.414 -10.124 6.378 1.00 0.55 H new ATOM 0 HG2 LYS A 82 13.247 -8.173 7.895 1.00 0.60 H new ATOM 0 HG3 LYS A 82 12.365 -9.123 9.073 1.00 0.60 H new ATOM 0 HD2 LYS A 82 14.284 -10.552 9.504 1.00 0.92 H new ATOM 0 HD3 LYS A 82 15.144 -9.938 8.105 1.00 0.92 H new ATOM 0 HE2 LYS A 82 15.862 -8.947 10.373 1.00 1.49 H new ATOM 0 HE3 LYS A 82 15.492 -7.778 9.121 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 14.438 -7.491 11.442 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 13.453 -7.258 10.078 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 13.360 -8.709 10.954 1.00 2.32 H new ATOM 435 N ALA A 83 11.663 -8.468 4.632 1.00 0.42 N ATOM 436 CA ALA A 83 11.760 -7.184 3.873 1.00 0.41 C ATOM 437 C ALA A 83 10.407 -6.468 3.924 1.00 0.35 C ATOM 438 O ALA A 83 10.335 -5.260 4.030 1.00 0.34 O ATOM 439 CB ALA A 83 12.138 -7.452 2.411 1.00 0.52 C ATOM 0 H ALA A 83 11.803 -9.318 4.087 1.00 0.42 H new ATOM 0 HA ALA A 83 12.532 -6.561 4.326 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.204 -6.506 1.873 1.00 0.52 H new ATOM 0 HB2 ALA A 83 13.102 -7.960 2.372 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.377 -8.080 1.948 1.00 0.52 H new ATOM 445 N ALA A 84 9.335 -7.207 3.850 1.00 0.34 N ATOM 446 CA ALA A 84 7.985 -6.578 3.896 1.00 0.31 C ATOM 447 C ALA A 84 7.749 -5.942 5.268 1.00 0.28 C ATOM 448 O ALA A 84 7.381 -4.789 5.374 1.00 0.28 O ATOM 449 CB ALA A 84 6.918 -7.645 3.648 1.00 0.34 C ATOM 0 H ALA A 84 9.336 -8.223 3.759 1.00 0.34 H new ATOM 0 HA ALA A 84 7.926 -5.808 3.127 1.00 0.31 H new ATOM 0 HB1 ALA A 84 5.930 -7.186 3.681 1.00 0.34 H new ATOM 0 HB2 ALA A 84 7.076 -8.096 2.668 1.00 0.34 H new ATOM 0 HB3 ALA A 84 6.987 -8.414 4.417 1.00 0.34 H new ATOM 455 N VAL A 85 7.941 -6.688 6.324 1.00 0.29 N ATOM 456 CA VAL A 85 7.706 -6.124 7.685 1.00 0.29 C ATOM 457 C VAL A 85 8.682 -4.973 7.943 1.00 0.29 C ATOM 458 O VAL A 85 8.319 -3.954 8.494 1.00 0.30 O ATOM 459 CB VAL A 85 7.895 -7.226 8.742 1.00 0.33 C ATOM 460 CG1 VAL A 85 7.154 -6.844 10.030 1.00 0.37 C ATOM 461 CG2 VAL A 85 7.339 -8.548 8.206 1.00 0.38 C ATOM 0 H VAL A 85 8.249 -7.660 6.303 1.00 0.29 H new ATOM 0 HA VAL A 85 6.686 -5.744 7.748 1.00 0.29 H new ATOM 0 HB VAL A 85 8.957 -7.338 8.959 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.291 -7.628 10.775 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.552 -5.905 10.414 1.00 0.37 H new ATOM 0 HG13 VAL A 85 6.091 -6.728 9.817 1.00 0.37 H new ATOM 0 HG21 VAL A 85 7.473 -9.329 8.954 1.00 0.38 H new ATOM 0 HG22 VAL A 85 6.278 -8.434 7.986 1.00 0.38 H new ATOM 0 HG23 VAL A 85 7.870 -8.824 7.295 1.00 0.38 H new ATOM 471 N ASP A 86 9.914 -5.113 7.537 1.00 0.30 N ATOM 472 CA ASP A 86 10.883 -4.005 7.755 1.00 0.32 C ATOM 473 C ASP A 86 10.383 -2.784 6.984 1.00 0.30 C ATOM 474 O ASP A 86 10.248 -1.705 7.524 1.00 0.31 O ATOM 475 CB ASP A 86 12.264 -4.418 7.236 1.00 0.36 C ATOM 476 CG ASP A 86 12.951 -5.338 8.253 1.00 0.42 C ATOM 477 OD1 ASP A 86 12.461 -5.436 9.366 1.00 1.05 O ATOM 478 OD2 ASP A 86 13.957 -5.929 7.898 1.00 1.23 O ATOM 0 H ASP A 86 10.288 -5.938 7.068 1.00 0.30 H new ATOM 0 HA ASP A 86 10.966 -3.774 8.817 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.164 -4.930 6.279 1.00 0.36 H new ATOM 0 HB3 ASP A 86 12.876 -3.533 7.062 1.00 0.36 H new ATOM 483 N LEU A 87 10.091 -2.956 5.725 1.00 0.29 N ATOM 484 CA LEU A 87 9.578 -1.817 4.917 1.00 0.30 C ATOM 485 C LEU A 87 8.269 -1.319 5.531 1.00 0.29 C ATOM 486 O LEU A 87 7.995 -0.136 5.548 1.00 0.30 O ATOM 487 CB LEU A 87 9.332 -2.277 3.470 1.00 0.33 C ATOM 488 CG LEU A 87 9.270 -1.054 2.526 1.00 0.42 C ATOM 489 CD1 LEU A 87 10.678 -0.695 2.039 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.395 -1.380 1.308 1.00 0.44 C ATOM 0 H LEU A 87 10.186 -3.838 5.221 1.00 0.29 H new ATOM 0 HA LEU A 87 10.311 -1.010 4.913 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.129 -2.950 3.154 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.399 -2.838 3.412 1.00 0.33 H new ATOM 0 HG LEU A 87 8.845 -0.213 3.074 1.00 0.42 H new ATOM 0 HD11 LEU A 87 10.624 0.168 1.375 1.00 0.52 H new ATOM 0 HD12 LEU A 87 11.309 -0.455 2.895 1.00 0.52 H new ATOM 0 HD13 LEU A 87 11.104 -1.542 1.501 1.00 0.52 H new ATOM 0 HD21 LEU A 87 8.355 -0.515 0.647 1.00 0.44 H new ATOM 0 HD22 LEU A 87 8.820 -2.228 0.771 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.387 -1.629 1.640 1.00 0.44 H new ATOM 502 N SER A 88 7.453 -2.208 6.036 1.00 0.30 N ATOM 503 CA SER A 88 6.169 -1.764 6.642 1.00 0.34 C ATOM 504 C SER A 88 6.448 -0.691 7.699 1.00 0.33 C ATOM 505 O SER A 88 5.831 0.355 7.713 1.00 0.36 O ATOM 506 CB SER A 88 5.470 -2.956 7.298 1.00 0.40 C ATOM 507 OG SER A 88 6.076 -3.219 8.556 1.00 0.44 O ATOM 0 H SER A 88 7.621 -3.214 6.054 1.00 0.30 H new ATOM 0 HA SER A 88 5.526 -1.352 5.864 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.409 -2.743 7.429 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.542 -3.834 6.656 1.00 0.40 H new ATOM 0 HG SER A 88 7.009 -3.486 8.420 1.00 0.44 H new ATOM 513 N HIS A 89 7.369 -0.945 8.589 1.00 0.34 N ATOM 514 CA HIS A 89 7.680 0.058 9.650 1.00 0.36 C ATOM 515 C HIS A 89 8.476 1.222 9.064 1.00 0.36 C ATOM 516 O HIS A 89 8.327 2.355 9.478 1.00 0.41 O ATOM 517 CB HIS A 89 8.487 -0.612 10.763 1.00 0.41 C ATOM 518 CG HIS A 89 7.719 -1.796 11.284 1.00 0.52 C ATOM 519 ND1 HIS A 89 8.286 -2.731 12.138 1.00 1.43 N ATOM 520 CD2 HIS A 89 6.425 -2.210 11.084 1.00 1.01 C ATOM 521 CE1 HIS A 89 7.343 -3.649 12.418 1.00 1.27 C ATOM 522 NE2 HIS A 89 6.190 -3.378 11.801 1.00 0.82 N ATOM 0 H HIS A 89 7.920 -1.803 8.628 1.00 0.34 H new ATOM 0 HA HIS A 89 6.746 0.444 10.058 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.458 -0.931 10.384 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.677 0.097 11.569 1.00 0.41 H new ATOM 0 HD1 HIS A 89 9.243 -2.724 12.490 1.00 1.43 H new ATOM 0 HD2 HIS A 89 5.700 -1.705 10.464 1.00 1.01 H new ATOM 0 HE1 HIS A 89 7.499 -4.501 13.063 1.00 1.27 H new ATOM 530 N PHE A 90 9.316 0.967 8.101 1.00 0.34 N ATOM 531 CA PHE A 90 10.098 2.080 7.501 1.00 0.37 C ATOM 532 C PHE A 90 9.120 3.140 7.000 1.00 0.40 C ATOM 533 O PHE A 90 9.171 4.288 7.394 1.00 0.47 O ATOM 534 CB PHE A 90 10.923 1.548 6.323 1.00 0.38 C ATOM 535 CG PHE A 90 11.872 2.621 5.839 1.00 0.47 C ATOM 536 CD1 PHE A 90 11.394 3.686 5.061 1.00 0.59 C ATOM 537 CD2 PHE A 90 13.233 2.553 6.167 1.00 0.57 C ATOM 538 CE1 PHE A 90 12.276 4.679 4.617 1.00 0.70 C ATOM 539 CE2 PHE A 90 14.112 3.546 5.721 1.00 0.69 C ATOM 540 CZ PHE A 90 13.634 4.609 4.947 1.00 0.72 C ATOM 0 H PHE A 90 9.494 0.043 7.706 1.00 0.34 H new ATOM 0 HA PHE A 90 10.771 2.510 8.243 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.483 0.664 6.629 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.262 1.241 5.513 1.00 0.38 H new ATOM 0 HD1 PHE A 90 10.346 3.740 4.805 1.00 0.59 H new ATOM 0 HD2 PHE A 90 13.604 1.733 6.765 1.00 0.57 H new ATOM 0 HE1 PHE A 90 11.908 5.500 4.019 1.00 0.70 H new ATOM 0 HE2 PHE A 90 15.160 3.492 5.974 1.00 0.69 H new ATOM 0 HZ PHE A 90 14.313 5.376 4.604 1.00 0.72 H new ATOM 550 N LEU A 91 8.228 2.756 6.132 1.00 0.37 N ATOM 551 CA LEU A 91 7.237 3.728 5.591 1.00 0.42 C ATOM 552 C LEU A 91 6.364 4.282 6.724 1.00 0.47 C ATOM 553 O LEU A 91 5.829 5.368 6.626 1.00 0.57 O ATOM 554 CB LEU A 91 6.344 3.020 4.560 1.00 0.41 C ATOM 555 CG LEU A 91 7.103 2.856 3.225 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.527 1.671 2.441 1.00 0.42 C ATOM 557 CD2 LEU A 91 6.965 4.130 2.374 1.00 0.54 C ATOM 0 H LEU A 91 8.142 1.806 5.772 1.00 0.37 H new ATOM 0 HA LEU A 91 7.769 4.553 5.118 1.00 0.42 H new ATOM 0 HB2 LEU A 91 6.042 2.043 4.938 1.00 0.41 H new ATOM 0 HB3 LEU A 91 5.432 3.596 4.401 1.00 0.41 H new ATOM 0 HG LEU A 91 8.156 2.678 3.445 1.00 0.41 H new ATOM 0 HD11 LEU A 91 7.066 1.560 1.500 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.633 0.760 3.029 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.472 1.849 2.235 1.00 0.42 H new ATOM 0 HD21 LEU A 91 7.505 4.001 1.436 1.00 0.54 H new ATOM 0 HD22 LEU A 91 5.912 4.315 2.164 1.00 0.54 H new ATOM 0 HD23 LEU A 91 7.381 4.978 2.918 1.00 0.54 H new ATOM 569 N LYS A 92 6.191 3.551 7.790 1.00 0.45 N ATOM 570 CA LYS A 92 5.324 4.065 8.888 1.00 0.53 C ATOM 571 C LYS A 92 5.878 5.391 9.416 1.00 0.63 C ATOM 572 O LYS A 92 5.133 6.276 9.786 1.00 0.85 O ATOM 573 CB LYS A 92 5.277 3.051 10.032 1.00 0.54 C ATOM 574 CG LYS A 92 4.140 3.419 10.998 1.00 0.73 C ATOM 575 CD LYS A 92 4.373 2.754 12.359 1.00 1.20 C ATOM 576 CE LYS A 92 3.311 3.235 13.351 1.00 1.61 C ATOM 577 NZ LYS A 92 3.381 2.408 14.590 1.00 2.27 N ATOM 0 H LYS A 92 6.606 2.633 7.948 1.00 0.45 H new ATOM 0 HA LYS A 92 4.319 4.221 8.496 1.00 0.53 H new ATOM 0 HB2 LYS A 92 5.121 2.047 9.636 1.00 0.54 H new ATOM 0 HB3 LYS A 92 6.229 3.041 10.562 1.00 0.54 H new ATOM 0 HG2 LYS A 92 4.089 4.501 11.117 1.00 0.73 H new ATOM 0 HG3 LYS A 92 3.183 3.098 10.586 1.00 0.73 H new ATOM 0 HD2 LYS A 92 4.327 1.670 12.258 1.00 1.20 H new ATOM 0 HD3 LYS A 92 5.369 2.998 12.729 1.00 1.20 H new ATOM 0 HE2 LYS A 92 3.472 4.286 13.592 1.00 1.61 H new ATOM 0 HE3 LYS A 92 2.319 3.159 12.905 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 2.660 2.733 15.266 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 3.208 1.411 14.352 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 4.324 2.503 15.018 1.00 2.27 H new ATOM 591 N GLU A 93 7.173 5.539 9.462 1.00 0.62 N ATOM 592 CA GLU A 93 7.752 6.811 9.971 1.00 0.76 C ATOM 593 C GLU A 93 7.538 7.921 8.940 1.00 0.77 C ATOM 594 O GLU A 93 6.657 8.749 9.076 1.00 1.05 O ATOM 595 CB GLU A 93 9.250 6.623 10.225 1.00 0.94 C ATOM 596 CG GLU A 93 9.463 5.456 11.193 1.00 1.22 C ATOM 597 CD GLU A 93 10.961 5.194 11.355 1.00 2.00 C ATOM 598 OE1 GLU A 93 11.642 5.115 10.346 1.00 2.73 O ATOM 599 OE2 GLU A 93 11.404 5.077 12.486 1.00 2.54 O ATOM 0 H GLU A 93 7.852 4.836 9.170 1.00 0.62 H new ATOM 0 HA GLU A 93 7.259 7.088 10.903 1.00 0.76 H new ATOM 0 HB2 GLU A 93 9.767 6.429 9.285 1.00 0.94 H new ATOM 0 HB3 GLU A 93 9.676 7.536 10.640 1.00 0.94 H new ATOM 0 HG2 GLU A 93 9.017 5.686 12.160 1.00 1.22 H new ATOM 0 HG3 GLU A 93 8.965 4.562 10.817 1.00 1.22 H new ATOM 606 N LYS A 94 8.342 7.944 7.913 1.00 0.80 N ATOM 607 CA LYS A 94 8.198 9.004 6.868 1.00 1.02 C ATOM 608 C LYS A 94 7.075 8.638 5.892 1.00 0.96 C ATOM 609 O LYS A 94 6.288 9.476 5.499 1.00 1.41 O ATOM 610 CB LYS A 94 9.518 9.151 6.095 1.00 1.39 C ATOM 611 CG LYS A 94 10.665 9.502 7.063 1.00 1.63 C ATOM 612 CD LYS A 94 10.718 11.026 7.315 1.00 2.18 C ATOM 613 CE LYS A 94 11.563 11.716 6.237 1.00 2.61 C ATOM 614 NZ LYS A 94 13.000 11.371 6.434 1.00 2.96 N ATOM 0 H LYS A 94 9.094 7.275 7.750 1.00 0.80 H new ATOM 0 HA LYS A 94 7.952 9.947 7.356 1.00 1.02 H new ATOM 0 HB2 LYS A 94 9.746 8.223 5.570 1.00 1.39 H new ATOM 0 HB3 LYS A 94 9.420 9.929 5.338 1.00 1.39 H new ATOM 0 HG2 LYS A 94 10.524 8.977 8.008 1.00 1.63 H new ATOM 0 HG3 LYS A 94 11.614 9.163 6.648 1.00 1.63 H new ATOM 0 HD2 LYS A 94 9.708 11.437 7.313 1.00 2.18 H new ATOM 0 HD3 LYS A 94 11.141 11.224 8.300 1.00 2.18 H new ATOM 0 HE2 LYS A 94 11.235 11.401 5.246 1.00 2.61 H new ATOM 0 HE3 LYS A 94 11.427 12.796 6.290 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 13.596 12.109 6.008 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 13.205 11.306 7.451 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 13.203 10.457 5.981 1.00 2.96 H new ATOM 628 N GLY A 95 7.000 7.399 5.489 1.00 1.12 N ATOM 629 CA GLY A 95 5.932 6.991 4.530 1.00 1.51 C ATOM 630 C GLY A 95 4.556 7.343 5.104 1.00 1.10 C ATOM 631 O GLY A 95 3.888 6.512 5.687 1.00 1.71 O ATOM 0 H GLY A 95 7.630 6.652 5.781 1.00 1.12 H new ATOM 0 HA2 GLY A 95 6.077 7.495 3.574 1.00 1.51 H new ATOM 0 HA3 GLY A 95 5.993 5.920 4.338 1.00 1.51 H new ATOM 635 N GLY A 96 4.119 8.567 4.943 1.00 1.17 N ATOM 636 CA GLY A 96 2.784 8.954 5.477 1.00 0.99 C ATOM 637 C GLY A 96 1.700 8.248 4.663 1.00 0.81 C ATOM 638 O GLY A 96 0.759 8.857 4.196 1.00 0.83 O ATOM 0 H GLY A 96 4.629 9.310 4.466 1.00 1.17 H new ATOM 0 HA2 GLY A 96 2.705 8.679 6.529 1.00 0.99 H new ATOM 0 HA3 GLY A 96 2.654 10.035 5.420 1.00 0.99 H new ATOM 642 N LEU A 97 1.838 6.962 4.482 1.00 0.67 N ATOM 643 CA LEU A 97 0.834 6.199 3.688 1.00 0.55 C ATOM 644 C LEU A 97 -0.368 5.844 4.569 1.00 0.46 C ATOM 645 O LEU A 97 -1.483 5.744 4.099 1.00 0.49 O ATOM 646 CB LEU A 97 1.485 4.907 3.180 1.00 0.54 C ATOM 647 CG LEU A 97 0.581 4.220 2.137 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.777 4.858 0.755 1.00 0.65 C ATOM 649 CD2 LEU A 97 0.937 2.729 2.054 1.00 0.66 C ATOM 0 H LEU A 97 2.608 6.405 4.853 1.00 0.67 H new ATOM 0 HA LEU A 97 0.495 6.807 2.849 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.455 5.132 2.737 1.00 0.54 H new ATOM 0 HB3 LEU A 97 1.665 4.231 4.016 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.458 4.341 2.442 1.00 0.54 H new ATOM 0 HD11 LEU A 97 0.132 4.362 0.030 1.00 0.65 H new ATOM 0 HD12 LEU A 97 0.521 5.916 0.803 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.817 4.750 0.448 1.00 0.65 H new ATOM 0 HD21 LEU A 97 0.298 2.243 1.317 1.00 0.66 H new ATOM 0 HD22 LEU A 97 1.980 2.620 1.758 1.00 0.66 H new ATOM 0 HD23 LEU A 97 0.786 2.264 3.028 1.00 0.66 H new ATOM 661 N GLU A 98 -0.148 5.638 5.838 1.00 0.44 N ATOM 662 CA GLU A 98 -1.278 5.271 6.739 1.00 0.40 C ATOM 663 C GLU A 98 -2.451 6.232 6.552 1.00 0.40 C ATOM 664 O GLU A 98 -2.288 7.428 6.407 1.00 0.58 O ATOM 665 CB GLU A 98 -0.806 5.320 8.195 1.00 0.49 C ATOM 666 CG GLU A 98 -1.964 4.980 9.146 1.00 0.48 C ATOM 667 CD GLU A 98 -2.842 6.215 9.373 1.00 1.26 C ATOM 668 OE1 GLU A 98 -2.293 7.299 9.467 1.00 1.94 O ATOM 669 OE2 GLU A 98 -4.050 6.053 9.446 1.00 2.03 O ATOM 0 H GLU A 98 0.764 5.708 6.290 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.610 4.263 6.490 1.00 0.40 H new ATOM 0 HB2 GLU A 98 0.013 4.616 8.342 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.418 6.312 8.425 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -2.563 4.171 8.727 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -1.570 4.625 10.098 1.00 0.48 H new ATOM 676 N GLY A 99 -3.635 5.697 6.586 1.00 0.39 N ATOM 677 CA GLY A 99 -4.867 6.530 6.445 1.00 0.42 C ATOM 678 C GLY A 99 -4.831 7.390 5.169 1.00 0.42 C ATOM 679 O GLY A 99 -5.708 8.200 4.944 1.00 0.46 O ATOM 0 H GLY A 99 -3.809 4.699 6.708 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -5.743 5.882 6.422 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -4.971 7.176 7.316 1.00 0.42 H new ATOM 683 N LEU A 100 -3.842 7.228 4.332 1.00 0.41 N ATOM 684 CA LEU A 100 -3.784 8.050 3.076 1.00 0.43 C ATOM 685 C LEU A 100 -4.827 7.512 2.083 1.00 0.42 C ATOM 686 O LEU A 100 -4.648 6.461 1.498 1.00 0.44 O ATOM 687 CB LEU A 100 -2.368 7.936 2.478 1.00 0.45 C ATOM 688 CG LEU A 100 -2.081 9.036 1.432 1.00 0.55 C ATOM 689 CD1 LEU A 100 -3.028 8.903 0.232 1.00 1.15 C ATOM 690 CD2 LEU A 100 -2.215 10.440 2.059 1.00 1.17 C ATOM 0 H LEU A 100 -3.074 6.568 4.457 1.00 0.41 H new ATOM 0 HA LEU A 100 -4.001 9.097 3.289 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -1.632 7.999 3.279 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -2.250 6.957 2.014 1.00 0.45 H new ATOM 0 HG LEU A 100 -1.056 8.908 1.085 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -2.809 9.687 -0.493 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -2.889 7.928 -0.235 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -4.060 8.999 0.570 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -2.008 11.197 1.303 1.00 1.17 H new ATOM 0 HD22 LEU A 100 -3.228 10.574 2.439 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -1.504 10.542 2.879 1.00 1.17 H new ATOM 702 N ILE A 101 -5.930 8.203 1.909 1.00 0.44 N ATOM 703 CA ILE A 101 -6.981 7.691 0.977 1.00 0.45 C ATOM 704 C ILE A 101 -6.407 7.477 -0.430 1.00 0.46 C ATOM 705 O ILE A 101 -6.154 8.405 -1.172 1.00 0.49 O ATOM 706 CB ILE A 101 -8.187 8.657 0.942 1.00 0.50 C ATOM 707 CG1 ILE A 101 -9.044 8.468 2.217 1.00 0.51 C ATOM 708 CG2 ILE A 101 -9.053 8.389 -0.300 1.00 0.54 C ATOM 709 CD1 ILE A 101 -9.998 7.258 2.084 1.00 0.52 C ATOM 0 H ILE A 101 -6.145 9.089 2.367 1.00 0.44 H new ATOM 0 HA ILE A 101 -7.327 6.725 1.346 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.813 9.680 0.899 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.391 8.325 3.078 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.624 9.372 2.404 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -9.898 9.077 -0.310 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -8.455 8.536 -1.199 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -9.421 7.363 -0.273 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.584 7.155 2.997 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.668 7.414 1.238 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.415 6.351 1.923 1.00 0.52 H new ATOM 721 N HIS A 102 -6.232 6.233 -0.793 1.00 0.47 N ATOM 722 CA HIS A 102 -5.712 5.880 -2.141 1.00 0.51 C ATOM 723 C HIS A 102 -6.750 6.293 -3.194 1.00 0.58 C ATOM 724 O HIS A 102 -7.816 5.709 -3.289 1.00 0.64 O ATOM 725 CB HIS A 102 -5.475 4.354 -2.181 1.00 0.57 C ATOM 726 CG HIS A 102 -5.536 3.821 -3.593 1.00 0.64 C ATOM 727 ND1 HIS A 102 -6.734 3.668 -4.272 1.00 1.41 N ATOM 728 CD2 HIS A 102 -4.559 3.389 -4.454 1.00 0.64 C ATOM 729 CE1 HIS A 102 -6.450 3.163 -5.487 1.00 1.36 C ATOM 730 NE2 HIS A 102 -5.139 2.974 -5.650 1.00 0.70 N ATOM 0 H HIS A 102 -6.433 5.431 -0.195 1.00 0.47 H new ATOM 0 HA HIS A 102 -4.775 6.397 -2.350 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -4.502 4.124 -1.746 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.224 3.852 -1.569 1.00 0.57 H new ATOM 0 HD1 HIS A 102 -7.662 3.896 -3.916 1.00 1.41 H new ATOM 0 HD2 HIS A 102 -3.501 3.373 -4.237 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -7.193 2.938 -6.238 1.00 1.36 H new ATOM 738 N SER A 103 -6.441 7.296 -3.976 1.00 0.60 N ATOM 739 CA SER A 103 -7.392 7.749 -5.029 1.00 0.69 C ATOM 740 C SER A 103 -7.403 6.737 -6.178 1.00 0.76 C ATOM 741 O SER A 103 -8.273 5.898 -6.276 1.00 0.85 O ATOM 742 CB SER A 103 -6.961 9.116 -5.560 1.00 0.74 C ATOM 743 OG SER A 103 -7.615 9.361 -6.799 1.00 1.49 O ATOM 0 H SER A 103 -5.568 7.821 -3.928 1.00 0.60 H new ATOM 0 HA SER A 103 -8.392 7.826 -4.601 1.00 0.69 H new ATOM 0 HB2 SER A 103 -7.213 9.895 -4.841 1.00 0.74 H new ATOM 0 HB3 SER A 103 -5.880 9.144 -5.694 1.00 0.74 H new ATOM 0 HG SER A 103 -7.344 10.237 -7.144 1.00 1.49 H new ATOM 749 N GLN A 104 -6.436 6.817 -7.054 1.00 0.81 N ATOM 750 CA GLN A 104 -6.377 5.868 -8.203 1.00 0.92 C ATOM 751 C GLN A 104 -4.921 5.691 -8.634 1.00 0.93 C ATOM 752 O GLN A 104 -4.438 4.591 -8.812 1.00 1.37 O ATOM 753 CB GLN A 104 -7.164 6.440 -9.386 1.00 1.06 C ATOM 754 CG GLN A 104 -8.665 6.387 -9.094 1.00 1.76 C ATOM 755 CD GLN A 104 -9.440 6.822 -10.341 1.00 2.14 C ATOM 756 OE1 GLN A 104 -10.626 7.071 -10.275 1.00 2.64 O ATOM 757 NE2 GLN A 104 -8.814 6.929 -11.483 1.00 2.70 N ATOM 0 H GLN A 104 -5.681 7.502 -7.022 1.00 0.81 H new ATOM 0 HA GLN A 104 -6.804 4.912 -7.899 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -6.858 7.469 -9.573 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -6.941 5.872 -10.290 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -8.955 5.377 -8.806 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -8.907 7.040 -8.255 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -7.817 6.720 -11.540 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -9.322 7.222 -12.318 1.00 2.70 H new ATOM 766 N ARG A 105 -4.225 6.780 -8.821 1.00 0.83 N ATOM 767 CA ARG A 105 -2.802 6.707 -9.261 1.00 0.87 C ATOM 768 C ARG A 105 -1.874 6.576 -8.048 1.00 0.74 C ATOM 769 O ARG A 105 -0.720 6.218 -8.178 1.00 0.70 O ATOM 770 CB ARG A 105 -2.458 7.981 -10.034 1.00 1.06 C ATOM 771 CG ARG A 105 -3.588 8.298 -11.025 1.00 1.71 C ATOM 772 CD ARG A 105 -3.132 9.376 -12.033 1.00 1.99 C ATOM 773 NE ARG A 105 -4.221 10.387 -12.239 1.00 2.86 N ATOM 774 CZ ARG A 105 -5.460 10.024 -12.465 1.00 3.60 C ATOM 775 NH1 ARG A 105 -5.778 8.765 -12.567 1.00 3.73 N ATOM 776 NH2 ARG A 105 -6.382 10.936 -12.613 1.00 4.61 N ATOM 0 H ARG A 105 -4.585 7.725 -8.687 1.00 0.83 H new ATOM 0 HA ARG A 105 -2.666 5.833 -9.898 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -2.321 8.813 -9.343 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -1.517 7.852 -10.568 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -3.878 7.392 -11.558 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -4.468 8.646 -10.484 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -2.232 9.870 -11.666 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -2.874 8.909 -12.984 1.00 1.99 H new ATOM 0 HE ARG A 105 -3.992 11.380 -12.202 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -5.059 8.048 -12.471 1.00 3.73 H new ATOM 0 HH12 ARG A 105 -6.746 8.496 -12.743 1.00 3.73 H new ATOM 0 HH21 ARG A 105 -6.136 11.924 -12.553 1.00 4.61 H new ATOM 0 HH22 ARG A 105 -7.348 10.661 -12.789 1.00 4.61 H new ATOM 790 N ARG A 106 -2.358 6.870 -6.871 1.00 0.71 N ATOM 791 CA ARG A 106 -1.483 6.763 -5.668 1.00 0.65 C ATOM 792 C ARG A 106 -0.886 5.354 -5.597 1.00 0.54 C ATOM 793 O ARG A 106 0.178 5.147 -5.047 1.00 0.50 O ATOM 794 CB ARG A 106 -2.300 7.042 -4.401 1.00 0.70 C ATOM 795 CG ARG A 106 -3.097 8.343 -4.565 1.00 1.01 C ATOM 796 CD ARG A 106 -2.141 9.528 -4.728 1.00 1.24 C ATOM 797 NE ARG A 106 -2.882 10.797 -4.487 1.00 1.86 N ATOM 798 CZ ARG A 106 -2.225 11.898 -4.254 1.00 2.48 C ATOM 799 NH1 ARG A 106 -0.921 11.878 -4.193 1.00 2.86 N ATOM 800 NH2 ARG A 106 -2.870 13.018 -4.075 1.00 3.29 N ATOM 0 H ARG A 106 -3.314 7.177 -6.691 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.680 7.496 -5.741 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -2.979 6.212 -4.207 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -1.636 7.119 -3.540 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -3.751 8.271 -5.434 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -3.737 8.499 -3.696 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -1.311 9.439 -4.027 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -1.712 9.529 -5.730 1.00 1.24 H new ATOM 0 HE ARG A 106 -3.902 10.804 -4.504 1.00 1.86 H new ATOM 0 HH11 ARG A 106 -0.418 11.001 -4.328 1.00 2.86 H new ATOM 0 HH12 ARG A 106 -0.406 12.739 -4.011 1.00 2.86 H new ATOM 0 HH21 ARG A 106 -3.889 13.032 -4.117 1.00 3.29 H new ATOM 0 HH22 ARG A 106 -2.355 13.879 -3.893 1.00 3.29 H new ATOM 814 N GLN A 107 -1.557 4.384 -6.156 1.00 0.55 N ATOM 815 CA GLN A 107 -1.022 2.992 -6.128 1.00 0.52 C ATOM 816 C GLN A 107 0.291 2.945 -6.911 1.00 0.49 C ATOM 817 O GLN A 107 1.258 2.338 -6.490 1.00 0.44 O ATOM 818 CB GLN A 107 -2.038 2.049 -6.782 1.00 0.63 C ATOM 819 CG GLN A 107 -1.519 0.606 -6.740 1.00 1.11 C ATOM 820 CD GLN A 107 -2.551 -0.328 -7.377 1.00 1.53 C ATOM 821 OE1 GLN A 107 -3.135 -0.004 -8.393 1.00 2.13 O ATOM 822 NE2 GLN A 107 -2.803 -1.482 -6.820 1.00 2.12 N ATOM 0 H GLN A 107 -2.453 4.495 -6.631 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.846 2.683 -5.098 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -2.994 2.115 -6.263 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -2.214 2.351 -7.814 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -0.571 0.534 -7.272 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -1.329 0.307 -5.709 1.00 1.11 H new ATOM 0 HE21 GLN A 107 -2.314 -1.755 -5.968 1.00 2.12 H new ATOM 0 HE22 GLN A 107 -3.489 -2.111 -7.237 1.00 2.12 H new ATOM 831 N ASP A 108 0.323 3.572 -8.051 1.00 0.56 N ATOM 832 CA ASP A 108 1.561 3.568 -8.882 1.00 0.59 C ATOM 833 C ASP A 108 2.721 4.215 -8.118 1.00 0.54 C ATOM 834 O ASP A 108 3.762 3.617 -7.935 1.00 0.54 O ATOM 835 CB ASP A 108 1.306 4.351 -10.169 1.00 0.72 C ATOM 836 CG ASP A 108 0.380 3.548 -11.083 1.00 0.81 C ATOM 837 OD1 ASP A 108 0.892 2.770 -11.872 1.00 1.33 O ATOM 838 OD2 ASP A 108 -0.822 3.723 -10.979 1.00 1.42 O ATOM 0 H ASP A 108 -0.460 4.092 -8.448 1.00 0.56 H new ATOM 0 HA ASP A 108 1.825 2.537 -9.117 1.00 0.59 H new ATOM 0 HB2 ASP A 108 0.856 5.316 -9.936 1.00 0.72 H new ATOM 0 HB3 ASP A 108 2.249 4.553 -10.677 1.00 0.72 H new ATOM 843 N ILE A 109 2.555 5.438 -7.689 1.00 0.55 N ATOM 844 CA ILE A 109 3.657 6.135 -6.956 1.00 0.54 C ATOM 845 C ILE A 109 4.273 5.202 -5.909 1.00 0.47 C ATOM 846 O ILE A 109 5.475 5.036 -5.844 1.00 0.53 O ATOM 847 CB ILE A 109 3.104 7.380 -6.260 1.00 0.59 C ATOM 848 CG1 ILE A 109 2.526 8.335 -7.309 1.00 0.70 C ATOM 849 CG2 ILE A 109 4.234 8.078 -5.496 1.00 0.63 C ATOM 850 CD1 ILE A 109 1.765 9.467 -6.612 1.00 1.47 C ATOM 0 H ILE A 109 1.704 5.986 -7.814 1.00 0.55 H new ATOM 0 HA ILE A 109 4.426 6.424 -7.672 1.00 0.54 H new ATOM 0 HB ILE A 109 2.318 7.091 -5.562 1.00 0.59 H new ATOM 0 HG12 ILE A 109 3.328 8.746 -7.922 1.00 0.70 H new ATOM 0 HG13 ILE A 109 1.858 7.794 -7.979 1.00 0.70 H new ATOM 0 HG21 ILE A 109 3.843 8.966 -4.999 1.00 0.63 H new ATOM 0 HG22 ILE A 109 4.645 7.396 -4.751 1.00 0.63 H new ATOM 0 HG23 ILE A 109 5.019 8.369 -6.194 1.00 0.63 H new ATOM 0 HD11 ILE A 109 1.355 10.145 -7.361 1.00 1.47 H new ATOM 0 HD12 ILE A 109 0.953 9.048 -6.018 1.00 1.47 H new ATOM 0 HD13 ILE A 109 2.445 10.015 -5.960 1.00 1.47 H new ATOM 862 N LEU A 110 3.464 4.605 -5.079 1.00 0.43 N ATOM 863 CA LEU A 110 4.010 3.698 -4.030 1.00 0.39 C ATOM 864 C LEU A 110 4.947 2.671 -4.674 1.00 0.38 C ATOM 865 O LEU A 110 6.151 2.738 -4.527 1.00 0.38 O ATOM 866 CB LEU A 110 2.844 2.984 -3.332 1.00 0.42 C ATOM 867 CG LEU A 110 3.357 2.026 -2.244 1.00 0.44 C ATOM 868 CD1 LEU A 110 4.085 2.810 -1.141 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.159 1.288 -1.638 1.00 0.66 C ATOM 0 H LEU A 110 2.449 4.705 -5.081 1.00 0.43 H new ATOM 0 HA LEU A 110 4.573 4.275 -3.297 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.176 3.721 -2.887 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.261 2.428 -4.066 1.00 0.42 H new ATOM 0 HG LEU A 110 4.056 1.316 -2.686 1.00 0.44 H new ATOM 0 HD11 LEU A 110 4.442 2.118 -0.378 1.00 0.56 H new ATOM 0 HD12 LEU A 110 4.932 3.344 -1.572 1.00 0.56 H new ATOM 0 HD13 LEU A 110 3.398 3.525 -0.689 1.00 0.56 H new ATOM 0 HD21 LEU A 110 2.507 0.604 -0.864 1.00 0.66 H new ATOM 0 HD22 LEU A 110 1.470 2.010 -1.201 1.00 0.66 H new ATOM 0 HD23 LEU A 110 1.647 0.724 -2.417 1.00 0.66 H new ATOM 881 N ASP A 111 4.403 1.717 -5.379 1.00 0.40 N ATOM 882 CA ASP A 111 5.256 0.675 -6.026 1.00 0.42 C ATOM 883 C ASP A 111 6.367 1.333 -6.853 1.00 0.43 C ATOM 884 O ASP A 111 7.446 0.791 -6.992 1.00 0.42 O ATOM 885 CB ASP A 111 4.389 -0.195 -6.938 1.00 0.50 C ATOM 886 CG ASP A 111 3.304 -0.884 -6.109 1.00 0.59 C ATOM 887 OD1 ASP A 111 3.585 -1.231 -4.974 1.00 1.19 O ATOM 888 OD2 ASP A 111 2.211 -1.055 -6.625 1.00 1.30 O ATOM 0 H ASP A 111 3.401 1.613 -5.536 1.00 0.40 H new ATOM 0 HA ASP A 111 5.712 0.059 -5.251 1.00 0.42 H new ATOM 0 HB2 ASP A 111 3.933 0.418 -7.716 1.00 0.50 H new ATOM 0 HB3 ASP A 111 5.006 -0.940 -7.440 1.00 0.50 H new ATOM 893 N LEU A 112 6.117 2.487 -7.411 1.00 0.48 N ATOM 894 CA LEU A 112 7.173 3.155 -8.232 1.00 0.52 C ATOM 895 C LEU A 112 8.334 3.567 -7.326 1.00 0.48 C ATOM 896 O LEU A 112 9.458 3.147 -7.521 1.00 0.47 O ATOM 897 CB LEU A 112 6.577 4.390 -8.935 1.00 0.60 C ATOM 898 CG LEU A 112 7.463 4.865 -10.112 1.00 0.70 C ATOM 899 CD1 LEU A 112 8.873 5.222 -9.624 1.00 1.45 C ATOM 900 CD2 LEU A 112 7.548 3.784 -11.210 1.00 1.26 C ATOM 0 H LEU A 112 5.235 2.994 -7.336 1.00 0.48 H new ATOM 0 HA LEU A 112 7.542 2.465 -8.990 1.00 0.52 H new ATOM 0 HB2 LEU A 112 5.579 4.152 -9.304 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.465 5.200 -8.214 1.00 0.60 H new ATOM 0 HG LEU A 112 7.000 5.757 -10.535 1.00 0.70 H new ATOM 0 HD11 LEU A 112 9.477 5.553 -10.469 1.00 1.45 H new ATOM 0 HD12 LEU A 112 8.811 6.022 -8.886 1.00 1.45 H new ATOM 0 HD13 LEU A 112 9.334 4.345 -9.170 1.00 1.45 H new ATOM 0 HD21 LEU A 112 8.176 4.142 -12.026 1.00 1.26 H new ATOM 0 HD22 LEU A 112 7.980 2.874 -10.792 1.00 1.26 H new ATOM 0 HD23 LEU A 112 6.548 3.571 -11.589 1.00 1.26 H new ATOM 912 N TRP A 113 8.086 4.381 -6.333 1.00 0.48 N ATOM 913 CA TRP A 113 9.202 4.798 -5.433 1.00 0.48 C ATOM 914 C TRP A 113 9.973 3.557 -4.995 1.00 0.43 C ATOM 915 O TRP A 113 11.183 3.515 -5.054 1.00 0.45 O ATOM 916 CB TRP A 113 8.646 5.512 -4.197 1.00 0.52 C ATOM 917 CG TRP A 113 9.759 5.778 -3.227 1.00 0.56 C ATOM 918 CD1 TRP A 113 10.663 6.777 -3.338 1.00 0.66 C ATOM 919 CD2 TRP A 113 10.101 5.053 -2.006 1.00 0.55 C ATOM 920 NE1 TRP A 113 11.534 6.716 -2.265 1.00 0.70 N ATOM 921 CE2 TRP A 113 11.228 5.672 -1.416 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.548 3.932 -1.359 1.00 0.51 C ATOM 923 CZ2 TRP A 113 11.787 5.199 -0.228 1.00 0.70 C ATOM 924 CZ3 TRP A 113 10.108 3.454 -0.161 1.00 0.58 C ATOM 925 CH2 TRP A 113 11.225 4.086 0.404 1.00 0.67 C ATOM 0 H TRP A 113 7.171 4.771 -6.108 1.00 0.48 H new ATOM 0 HA TRP A 113 9.861 5.481 -5.968 1.00 0.48 H new ATOM 0 HB2 TRP A 113 8.172 6.449 -4.488 1.00 0.52 H new ATOM 0 HB3 TRP A 113 7.878 4.899 -3.725 1.00 0.52 H new ATOM 0 HD1 TRP A 113 10.699 7.505 -4.135 1.00 0.66 H new ATOM 0 HE1 TRP A 113 12.308 7.364 -2.119 1.00 0.70 H new ATOM 0 HE3 TRP A 113 8.688 3.436 -1.785 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 12.648 5.690 0.200 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 9.675 2.594 0.328 1.00 0.58 H new ATOM 0 HH2 TRP A 113 11.650 3.714 1.325 1.00 0.67 H new ATOM 936 N ILE A 114 9.276 2.543 -4.566 1.00 0.39 N ATOM 937 CA ILE A 114 9.963 1.299 -4.134 1.00 0.37 C ATOM 938 C ILE A 114 10.793 0.751 -5.301 1.00 0.39 C ATOM 939 O ILE A 114 11.754 0.040 -5.106 1.00 0.44 O ATOM 940 CB ILE A 114 8.915 0.260 -3.706 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.040 0.852 -2.594 1.00 0.37 C ATOM 942 CG2 ILE A 114 9.610 -1.001 -3.181 1.00 0.42 C ATOM 943 CD1 ILE A 114 6.971 -0.163 -2.179 1.00 1.00 C ATOM 0 H ILE A 114 8.259 2.524 -4.496 1.00 0.39 H new ATOM 0 HA ILE A 114 10.620 1.513 -3.291 1.00 0.37 H new ATOM 0 HB ILE A 114 8.299 -0.001 -4.566 1.00 0.37 H new ATOM 0 HG12 ILE A 114 8.657 1.116 -1.735 1.00 0.37 H new ATOM 0 HG13 ILE A 114 7.567 1.771 -2.941 1.00 0.37 H new ATOM 0 HG21 ILE A 114 8.859 -1.732 -2.880 1.00 0.42 H new ATOM 0 HG22 ILE A 114 10.235 -1.426 -3.966 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.231 -0.744 -2.323 1.00 0.42 H new ATOM 0 HD11 ILE A 114 6.352 0.263 -1.389 1.00 1.00 H new ATOM 0 HD12 ILE A 114 6.346 -0.405 -3.039 1.00 1.00 H new ATOM 0 HD13 ILE A 114 7.453 -1.070 -1.814 1.00 1.00 H new ATOM 955 N TYR A 115 10.419 1.061 -6.516 1.00 0.40 N ATOM 956 CA TYR A 115 11.184 0.539 -7.689 1.00 0.46 C ATOM 957 C TYR A 115 12.589 1.165 -7.753 1.00 0.51 C ATOM 958 O TYR A 115 13.586 0.471 -7.728 1.00 0.54 O ATOM 959 CB TYR A 115 10.419 0.855 -8.979 1.00 0.53 C ATOM 960 CG TYR A 115 10.942 -0.010 -10.108 1.00 0.59 C ATOM 961 CD1 TYR A 115 10.784 -1.402 -10.056 1.00 0.56 C ATOM 962 CD2 TYR A 115 11.589 0.577 -11.204 1.00 0.74 C ATOM 963 CE1 TYR A 115 11.272 -2.203 -11.094 1.00 0.65 C ATOM 964 CE2 TYR A 115 12.074 -0.224 -12.243 1.00 0.82 C ATOM 965 CZ TYR A 115 11.916 -1.614 -12.188 1.00 0.77 C ATOM 966 OH TYR A 115 12.399 -2.406 -13.211 1.00 0.87 O ATOM 0 H TYR A 115 9.620 1.651 -6.746 1.00 0.40 H new ATOM 0 HA TYR A 115 11.294 -0.540 -7.579 1.00 0.46 H new ATOM 0 HB2 TYR A 115 9.354 0.676 -8.834 1.00 0.53 H new ATOM 0 HB3 TYR A 115 10.534 1.909 -9.232 1.00 0.53 H new ATOM 0 HD1 TYR A 115 10.285 -1.857 -9.213 1.00 0.56 H new ATOM 0 HD2 TYR A 115 11.713 1.649 -11.246 1.00 0.74 H new ATOM 0 HE1 TYR A 115 11.152 -3.275 -11.051 1.00 0.65 H new ATOM 0 HE2 TYR A 115 12.571 0.230 -13.088 1.00 0.82 H new ATOM 0 HH TYR A 115 12.817 -1.840 -13.893 1.00 0.87 H new ATOM 976 N HIS A 116 12.678 2.466 -7.851 1.00 0.58 N ATOM 977 CA HIS A 116 14.018 3.133 -7.936 1.00 0.67 C ATOM 978 C HIS A 116 14.841 2.875 -6.663 1.00 0.67 C ATOM 979 O HIS A 116 15.727 3.639 -6.335 1.00 0.81 O ATOM 980 CB HIS A 116 13.826 4.645 -8.099 1.00 0.79 C ATOM 981 CG HIS A 116 13.357 4.968 -9.496 1.00 1.20 C ATOM 982 ND1 HIS A 116 13.358 4.034 -10.522 1.00 1.99 N ATOM 983 CD2 HIS A 116 12.875 6.129 -10.051 1.00 2.05 C ATOM 984 CE1 HIS A 116 12.890 4.645 -11.627 1.00 2.71 C ATOM 985 NE2 HIS A 116 12.581 5.923 -11.395 1.00 2.74 N ATOM 0 H HIS A 116 11.879 3.100 -7.876 1.00 0.58 H new ATOM 0 HA HIS A 116 14.551 2.721 -8.793 1.00 0.67 H new ATOM 0 HB2 HIS A 116 13.099 5.006 -7.372 1.00 0.79 H new ATOM 0 HB3 HIS A 116 14.764 5.161 -7.895 1.00 0.79 H new ATOM 0 HD2 HIS A 116 12.744 7.062 -9.523 1.00 2.05 H new ATOM 0 HE1 HIS A 116 12.778 4.160 -12.585 1.00 2.71 H new ATOM 0 HE2 HIS A 116 12.210 6.602 -12.060 1.00 2.74 H new ATOM 993 N THR A 117 14.573 1.812 -5.943 1.00 0.63 N ATOM 994 CA THR A 117 15.362 1.527 -4.700 1.00 0.68 C ATOM 995 C THR A 117 16.482 0.543 -5.027 1.00 0.66 C ATOM 996 O THR A 117 17.334 0.809 -5.850 1.00 0.73 O ATOM 997 CB THR A 117 14.459 0.911 -3.629 1.00 0.80 C ATOM 998 OG1 THR A 117 13.849 -0.261 -4.146 1.00 0.85 O ATOM 999 CG2 THR A 117 13.387 1.915 -3.217 1.00 0.91 C ATOM 0 H THR A 117 13.845 1.131 -6.160 1.00 0.63 H new ATOM 0 HA THR A 117 15.779 2.462 -4.326 1.00 0.68 H new ATOM 0 HB THR A 117 15.056 0.653 -2.755 1.00 0.80 H new ATOM 0 HG1 THR A 117 12.875 -0.178 -4.082 1.00 0.85 H new ATOM 0 HG21 THR A 117 12.747 1.471 -2.454 1.00 0.91 H new ATOM 0 HG22 THR A 117 13.862 2.810 -2.816 1.00 0.91 H new ATOM 0 HG23 THR A 117 12.785 2.182 -4.086 1.00 0.91 H new ATOM 1007 N GLN A 118 16.488 -0.596 -4.390 1.00 0.73 N ATOM 1008 CA GLN A 118 17.538 -1.594 -4.655 1.00 0.83 C ATOM 1009 C GLN A 118 17.116 -2.452 -5.841 1.00 0.72 C ATOM 1010 O GLN A 118 17.161 -2.034 -6.982 1.00 0.91 O ATOM 1011 CB GLN A 118 17.701 -2.478 -3.409 1.00 1.06 C ATOM 1012 CG GLN A 118 16.307 -2.787 -2.797 1.00 1.48 C ATOM 1013 CD GLN A 118 16.231 -4.251 -2.350 1.00 2.12 C ATOM 1014 OE1 GLN A 118 17.065 -4.714 -1.597 1.00 2.89 O ATOM 1015 NE2 GLN A 118 15.258 -5.000 -2.789 1.00 2.13 N ATOM 0 H GLN A 118 15.798 -0.872 -3.691 1.00 0.73 H new ATOM 0 HA GLN A 118 18.483 -1.101 -4.882 1.00 0.83 H new ATOM 0 HB2 GLN A 118 18.206 -3.407 -3.674 1.00 1.06 H new ATOM 0 HB3 GLN A 118 18.328 -1.974 -2.673 1.00 1.06 H new ATOM 0 HG2 GLN A 118 16.123 -2.131 -1.946 1.00 1.48 H new ATOM 0 HG3 GLN A 118 15.527 -2.584 -3.531 1.00 1.48 H new ATOM 0 HE21 GLN A 118 14.559 -4.609 -3.421 1.00 2.13 H new ATOM 0 HE22 GLN A 118 15.196 -5.976 -2.500 1.00 2.13 H new ATOM 1024 N GLY A 119 16.720 -3.662 -5.562 1.00 0.86 N ATOM 1025 CA GLY A 119 16.296 -4.614 -6.638 1.00 0.85 C ATOM 1026 C GLY A 119 14.873 -5.110 -6.382 1.00 0.65 C ATOM 1027 O GLY A 119 14.525 -6.213 -6.756 1.00 0.67 O ATOM 0 H GLY A 119 16.670 -4.043 -4.617 1.00 0.86 H new ATOM 0 HA2 GLY A 119 16.347 -4.121 -7.609 1.00 0.85 H new ATOM 0 HA3 GLY A 119 16.982 -5.460 -6.674 1.00 0.85 H new ATOM 1031 N TYR A 120 14.043 -4.331 -5.746 1.00 0.54 N ATOM 1032 CA TYR A 120 12.658 -4.812 -5.482 1.00 0.44 C ATOM 1033 C TYR A 120 11.844 -4.767 -6.775 1.00 0.49 C ATOM 1034 O TYR A 120 11.967 -3.855 -7.570 1.00 0.70 O ATOM 1035 CB TYR A 120 11.977 -3.935 -4.426 1.00 0.48 C ATOM 1036 CG TYR A 120 12.593 -4.172 -3.060 1.00 0.52 C ATOM 1037 CD1 TYR A 120 12.537 -5.444 -2.470 1.00 0.58 C ATOM 1038 CD2 TYR A 120 13.221 -3.117 -2.379 1.00 0.60 C ATOM 1039 CE1 TYR A 120 13.107 -5.657 -1.207 1.00 0.71 C ATOM 1040 CE2 TYR A 120 13.788 -3.334 -1.116 1.00 0.71 C ATOM 1041 CZ TYR A 120 13.734 -4.604 -0.533 1.00 0.75 C ATOM 1042 OH TYR A 120 14.293 -4.819 0.711 1.00 0.91 O ATOM 0 H TYR A 120 14.259 -3.395 -5.402 1.00 0.54 H new ATOM 0 HA TYR A 120 12.710 -5.836 -5.112 1.00 0.44 H new ATOM 0 HB2 TYR A 120 12.076 -2.884 -4.699 1.00 0.48 H new ATOM 0 HB3 TYR A 120 10.910 -4.157 -4.394 1.00 0.48 H new ATOM 0 HD1 TYR A 120 12.055 -6.259 -2.989 1.00 0.58 H new ATOM 0 HD2 TYR A 120 13.267 -2.136 -2.829 1.00 0.60 H new ATOM 0 HE1 TYR A 120 13.062 -6.636 -0.754 1.00 0.71 H new ATOM 0 HE2 TYR A 120 14.267 -2.520 -0.592 1.00 0.71 H new ATOM 0 HH TYR A 120 14.689 -3.985 1.040 1.00 0.91 H new ATOM 1052 N PHE A 121 11.007 -5.752 -6.979 1.00 0.48 N ATOM 1053 CA PHE A 121 10.153 -5.807 -8.207 1.00 0.57 C ATOM 1054 C PHE A 121 8.691 -5.997 -7.766 1.00 0.55 C ATOM 1055 O PHE A 121 8.292 -7.093 -7.430 1.00 0.59 O ATOM 1056 CB PHE A 121 10.584 -7.003 -9.063 1.00 0.68 C ATOM 1057 CG PHE A 121 9.875 -6.951 -10.396 1.00 1.42 C ATOM 1058 CD1 PHE A 121 8.589 -7.488 -10.527 1.00 2.33 C ATOM 1059 CD2 PHE A 121 10.504 -6.366 -11.503 1.00 2.32 C ATOM 1060 CE1 PHE A 121 7.931 -7.441 -11.763 1.00 3.43 C ATOM 1061 CE2 PHE A 121 9.846 -6.318 -12.739 1.00 3.44 C ATOM 1062 CZ PHE A 121 8.559 -6.856 -12.868 1.00 3.85 C ATOM 0 H PHE A 121 10.876 -6.534 -6.337 1.00 0.48 H new ATOM 0 HA PHE A 121 10.257 -4.890 -8.787 1.00 0.57 H new ATOM 0 HB2 PHE A 121 11.664 -6.986 -9.213 1.00 0.68 H new ATOM 0 HB3 PHE A 121 10.348 -7.935 -8.550 1.00 0.68 H new ATOM 0 HD1 PHE A 121 8.103 -7.939 -9.674 1.00 2.33 H new ATOM 0 HD2 PHE A 121 11.496 -5.952 -11.403 1.00 2.32 H new ATOM 0 HE1 PHE A 121 6.939 -7.856 -11.863 1.00 3.43 H new ATOM 0 HE2 PHE A 121 10.331 -5.866 -13.592 1.00 3.44 H new ATOM 0 HZ PHE A 121 8.051 -6.819 -13.821 1.00 3.85 H new ATOM 1072 N PRO A 122 7.897 -4.948 -7.733 1.00 0.64 N ATOM 1073 CA PRO A 122 6.476 -5.038 -7.289 1.00 0.67 C ATOM 1074 C PRO A 122 5.757 -6.292 -7.795 1.00 0.73 C ATOM 1075 O PRO A 122 5.208 -6.326 -8.877 1.00 1.19 O ATOM 1076 CB PRO A 122 5.849 -3.770 -7.863 1.00 0.80 C ATOM 1077 CG PRO A 122 6.956 -2.771 -7.823 1.00 1.05 C ATOM 1078 CD PRO A 122 8.243 -3.559 -8.111 1.00 0.87 C ATOM 0 HA PRO A 122 6.398 -5.116 -6.205 1.00 0.67 H new ATOM 0 HB2 PRO A 122 5.490 -3.927 -8.880 1.00 0.80 H new ATOM 0 HB3 PRO A 122 4.995 -3.443 -7.270 1.00 0.80 H new ATOM 0 HG2 PRO A 122 6.803 -1.988 -8.566 1.00 1.05 H new ATOM 0 HG3 PRO A 122 7.006 -2.282 -6.850 1.00 1.05 H new ATOM 0 HD2 PRO A 122 8.529 -3.489 -9.161 1.00 0.87 H new ATOM 0 HD3 PRO A 122 9.082 -3.182 -7.526 1.00 0.87 H new ATOM 1086 N ASP A 123 5.741 -7.308 -6.984 1.00 0.56 N ATOM 1087 CA ASP A 123 5.046 -8.573 -7.343 1.00 0.64 C ATOM 1088 C ASP A 123 4.674 -9.258 -6.033 1.00 0.58 C ATOM 1089 O ASP A 123 4.530 -10.462 -5.952 1.00 0.65 O ATOM 1090 CB ASP A 123 5.967 -9.475 -8.170 1.00 0.74 C ATOM 1091 CG ASP A 123 7.352 -9.533 -7.526 1.00 0.77 C ATOM 1092 OD1 ASP A 123 7.440 -9.280 -6.337 1.00 1.27 O ATOM 1093 OD2 ASP A 123 8.301 -9.827 -8.234 1.00 1.38 O ATOM 0 H ASP A 123 6.190 -7.316 -6.068 1.00 0.56 H new ATOM 0 HA ASP A 123 4.160 -8.371 -7.945 1.00 0.64 H new ATOM 0 HB2 ASP A 123 5.545 -10.478 -8.236 1.00 0.74 H new ATOM 0 HB3 ASP A 123 6.045 -9.094 -9.188 1.00 0.74 H new ATOM 1098 N TRP A 124 4.533 -8.467 -4.999 1.00 0.53 N ATOM 1099 CA TRP A 124 4.184 -8.999 -3.647 1.00 0.52 C ATOM 1100 C TRP A 124 2.932 -8.291 -3.145 1.00 0.51 C ATOM 1101 O TRP A 124 2.255 -8.740 -2.243 1.00 0.55 O ATOM 1102 CB TRP A 124 5.342 -8.706 -2.696 1.00 0.49 C ATOM 1103 CG TRP A 124 5.735 -7.269 -2.848 1.00 0.43 C ATOM 1104 CD1 TRP A 124 6.664 -6.795 -3.714 1.00 0.44 C ATOM 1105 CD2 TRP A 124 5.212 -6.111 -2.140 1.00 0.42 C ATOM 1106 NE1 TRP A 124 6.749 -5.421 -3.573 1.00 0.42 N ATOM 1107 CE2 TRP A 124 5.871 -4.952 -2.616 1.00 0.41 C ATOM 1108 CE3 TRP A 124 4.239 -5.955 -1.138 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 5.574 -3.685 -2.115 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 3.937 -4.684 -0.633 1.00 0.58 C ATOM 1111 CH2 TRP A 124 4.602 -3.550 -1.120 1.00 0.55 C ATOM 0 H TRP A 124 4.648 -7.454 -5.037 1.00 0.53 H new ATOM 0 HA TRP A 124 4.004 -10.073 -3.697 1.00 0.52 H new ATOM 0 HB2 TRP A 124 5.047 -8.910 -1.667 1.00 0.49 H new ATOM 0 HB3 TRP A 124 6.189 -9.355 -2.920 1.00 0.49 H new ATOM 0 HD1 TRP A 124 7.244 -7.393 -4.402 1.00 0.44 H new ATOM 0 HE1 TRP A 124 7.382 -4.828 -4.110 1.00 0.42 H new ATOM 0 HE3 TRP A 124 3.720 -6.821 -0.755 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 6.091 -2.815 -2.493 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 3.187 -4.577 0.137 1.00 0.58 H new ATOM 0 HH2 TRP A 124 4.363 -2.573 -0.727 1.00 0.55 H new ATOM 1122 N GLN A 125 2.634 -7.184 -3.740 1.00 0.53 N ATOM 1123 CA GLN A 125 1.431 -6.401 -3.343 1.00 0.60 C ATOM 1124 C GLN A 125 0.180 -7.082 -3.907 1.00 0.66 C ATOM 1125 O GLN A 125 -0.011 -7.147 -5.105 1.00 0.84 O ATOM 1126 CB GLN A 125 1.546 -4.973 -3.900 1.00 0.69 C ATOM 1127 CG GLN A 125 2.171 -5.002 -5.307 1.00 1.56 C ATOM 1128 CD GLN A 125 3.702 -5.030 -5.207 1.00 2.18 C ATOM 1129 OE1 GLN A 125 4.317 -6.053 -5.440 1.00 2.78 O ATOM 1130 NE2 GLN A 125 4.346 -3.944 -4.876 1.00 2.82 N ATOM 0 H GLN A 125 3.178 -6.775 -4.499 1.00 0.53 H new ATOM 0 HA GLN A 125 1.359 -6.356 -2.256 1.00 0.60 H new ATOM 0 HB2 GLN A 125 0.560 -4.510 -3.941 1.00 0.69 H new ATOM 0 HB3 GLN A 125 2.157 -4.363 -3.235 1.00 0.69 H new ATOM 0 HG2 GLN A 125 1.819 -5.878 -5.851 1.00 1.56 H new ATOM 0 HG3 GLN A 125 1.852 -4.126 -5.872 1.00 1.56 H new ATOM 0 HE21 GLN A 125 3.831 -3.085 -4.680 1.00 2.82 H new ATOM 0 HE22 GLN A 125 5.364 -3.954 -4.813 1.00 2.82 H new ATOM 1139 N ASN A 126 -0.675 -7.591 -3.059 1.00 0.64 N ATOM 1140 CA ASN A 126 -1.909 -8.268 -3.560 1.00 0.72 C ATOM 1141 C ASN A 126 -2.980 -8.265 -2.462 1.00 0.69 C ATOM 1142 O ASN A 126 -2.724 -7.881 -1.338 1.00 1.22 O ATOM 1143 CB ASN A 126 -1.570 -9.708 -3.955 1.00 0.84 C ATOM 1144 CG ASN A 126 -0.800 -9.709 -5.281 1.00 0.89 C ATOM 1145 OD1 ASN A 126 -1.380 -9.898 -6.332 1.00 1.53 O ATOM 1146 ND2 ASN A 126 0.490 -9.502 -5.278 1.00 0.88 N ATOM 0 H ASN A 126 -0.573 -7.568 -2.044 1.00 0.64 H new ATOM 0 HA ASN A 126 -2.292 -7.735 -4.430 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -0.972 -10.179 -3.175 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -2.484 -10.294 -4.053 1.00 0.84 H new ATOM 0 HD21 ASN A 126 1.008 -9.499 -6.157 1.00 0.88 H new ATOM 0 HD22 ASN A 126 0.979 -9.343 -4.397 1.00 0.88 H new ATOM 1153 N TYR A 127 -4.179 -8.689 -2.780 1.00 0.69 N ATOM 1154 CA TYR A 127 -5.277 -8.705 -1.759 1.00 0.61 C ATOM 1155 C TYR A 127 -6.397 -9.635 -2.242 1.00 0.63 C ATOM 1156 O TYR A 127 -6.397 -10.086 -3.371 1.00 0.75 O ATOM 1157 CB TYR A 127 -5.862 -7.291 -1.572 1.00 0.65 C ATOM 1158 CG TYR A 127 -4.756 -6.272 -1.421 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -4.185 -5.688 -2.557 1.00 0.93 C ATOM 1160 CD2 TYR A 127 -4.302 -5.913 -0.145 1.00 0.98 C ATOM 1161 CE1 TYR A 127 -3.159 -4.748 -2.420 1.00 1.14 C ATOM 1162 CE2 TYR A 127 -3.276 -4.970 -0.008 1.00 1.19 C ATOM 1163 CZ TYR A 127 -2.704 -4.388 -1.146 1.00 1.23 C ATOM 1164 OH TYR A 127 -1.690 -3.463 -1.014 1.00 1.48 O ATOM 0 H TYR A 127 -4.447 -9.026 -3.705 1.00 0.69 H new ATOM 0 HA TYR A 127 -4.868 -9.054 -0.811 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -6.486 -7.034 -2.428 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -6.504 -7.271 -0.692 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -4.537 -5.963 -3.540 1.00 0.93 H new ATOM 0 HD2 TYR A 127 -4.743 -6.363 0.732 1.00 0.98 H new ATOM 0 HE1 TYR A 127 -2.717 -4.299 -3.298 1.00 1.14 H new ATOM 0 HE2 TYR A 127 -2.926 -4.692 0.975 1.00 1.19 H new ATOM 0 HH TYR A 127 -1.495 -3.325 -0.064 1.00 1.48 H new ATOM 1174 N THR A 128 -7.347 -9.934 -1.394 1.00 0.62 N ATOM 1175 CA THR A 128 -8.459 -10.842 -1.806 1.00 0.68 C ATOM 1176 C THR A 128 -9.268 -10.189 -2.942 1.00 0.75 C ATOM 1177 O THR A 128 -9.417 -8.984 -2.974 1.00 0.97 O ATOM 1178 CB THR A 128 -9.388 -11.084 -0.613 1.00 0.86 C ATOM 1179 OG1 THR A 128 -9.927 -9.844 -0.177 1.00 1.22 O ATOM 1180 CG2 THR A 128 -8.603 -11.730 0.527 1.00 0.90 C ATOM 0 H THR A 128 -7.401 -9.589 -0.436 1.00 0.62 H new ATOM 0 HA THR A 128 -8.040 -11.788 -2.149 1.00 0.68 H new ATOM 0 HB THR A 128 -10.198 -11.749 -0.913 1.00 0.86 H new ATOM 0 HG1 THR A 128 -10.523 -9.997 0.586 1.00 1.22 H new ATOM 0 HG21 THR A 128 -9.267 -11.901 1.375 1.00 0.90 H new ATOM 0 HG22 THR A 128 -8.191 -12.681 0.191 1.00 0.90 H new ATOM 0 HG23 THR A 128 -7.791 -11.069 0.830 1.00 0.90 H new ATOM 1249 N ARG A 134 -10.101 -5.138 2.483 1.00 0.51 N ATOM 1250 CA ARG A 134 -9.161 -5.839 1.563 1.00 0.49 C ATOM 1251 C ARG A 134 -7.906 -6.259 2.342 1.00 0.40 C ATOM 1252 O ARG A 134 -7.040 -5.452 2.628 1.00 0.38 O ATOM 1253 CB ARG A 134 -8.782 -4.890 0.404 1.00 0.58 C ATOM 1254 CG ARG A 134 -9.669 -5.165 -0.823 1.00 1.06 C ATOM 1255 CD ARG A 134 -9.227 -4.288 -2.003 1.00 1.37 C ATOM 1256 NE ARG A 134 -9.604 -4.965 -3.274 1.00 1.86 N ATOM 1257 CZ ARG A 134 -9.557 -4.312 -4.402 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -9.170 -3.067 -4.424 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -9.892 -4.910 -5.512 1.00 3.36 N ATOM 0 HA ARG A 134 -9.635 -6.730 1.152 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -8.899 -3.854 0.721 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -7.733 -5.027 0.141 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -9.605 -6.218 -1.099 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -10.712 -4.962 -0.580 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -9.701 -3.308 -1.943 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -8.150 -4.124 -1.968 1.00 1.37 H new ATOM 0 HE ARG A 134 -9.900 -5.941 -3.263 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -8.903 -2.601 -3.557 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -9.134 -2.560 -5.308 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -10.190 -5.885 -5.496 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -9.856 -4.402 -6.396 1.00 3.36 H new ATOM 1273 N TYR A 135 -7.801 -7.517 2.683 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.606 -7.994 3.440 1.00 0.39 C ATOM 1275 C TYR A 135 -5.467 -8.314 2.458 1.00 0.36 C ATOM 1276 O TYR A 135 -5.716 -8.734 1.345 1.00 0.39 O ATOM 1277 CB TYR A 135 -6.960 -9.280 4.192 1.00 0.46 C ATOM 1278 CG TYR A 135 -8.052 -9.014 5.197 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -7.726 -8.559 6.478 1.00 0.66 C ATOM 1280 CD2 TYR A 135 -9.391 -9.231 4.850 1.00 0.72 C ATOM 1281 CE1 TYR A 135 -8.736 -8.319 7.414 1.00 0.85 C ATOM 1282 CE2 TYR A 135 -10.403 -8.991 5.786 1.00 0.91 C ATOM 1283 CZ TYR A 135 -10.075 -8.535 7.068 1.00 0.92 C ATOM 1284 OH TYR A 135 -11.071 -8.299 7.992 1.00 1.17 O ATOM 0 H TYR A 135 -8.493 -8.236 2.469 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.296 -7.217 4.138 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -7.284 -10.045 3.486 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -6.076 -9.668 4.699 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -6.693 -8.393 6.745 1.00 0.66 H new ATOM 0 HD2 TYR A 135 -9.643 -9.583 3.861 1.00 0.72 H new ATOM 0 HE1 TYR A 135 -8.483 -7.967 8.403 1.00 0.85 H new ATOM 0 HE2 TYR A 135 -11.436 -9.157 5.519 1.00 0.91 H new ATOM 0 HH TYR A 135 -11.943 -8.497 7.591 1.00 1.17 H new ATOM 1294 N PRO A 136 -4.226 -8.148 2.866 1.00 0.37 N ATOM 1295 CA PRO A 136 -3.047 -8.461 2.001 1.00 0.38 C ATOM 1296 C PRO A 136 -2.815 -9.973 1.898 1.00 0.37 C ATOM 1297 O PRO A 136 -2.622 -10.647 2.890 1.00 0.38 O ATOM 1298 CB PRO A 136 -1.883 -7.783 2.733 1.00 0.42 C ATOM 1299 CG PRO A 136 -2.279 -7.824 4.172 1.00 0.51 C ATOM 1300 CD PRO A 136 -3.800 -7.645 4.190 1.00 0.44 C ATOM 0 HA PRO A 136 -3.174 -8.114 0.976 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -0.945 -8.311 2.563 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -1.739 -6.759 2.389 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -1.991 -8.770 4.630 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -1.785 -7.033 4.736 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.260 -8.210 5.000 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -4.079 -6.601 4.331 1.00 0.44 H new ATOM 1308 N LEU A 137 -2.836 -10.513 0.711 1.00 0.40 N ATOM 1309 CA LEU A 137 -2.621 -11.979 0.566 1.00 0.43 C ATOM 1310 C LEU A 137 -1.238 -12.347 1.112 1.00 0.41 C ATOM 1311 O LEU A 137 -1.093 -13.268 1.889 1.00 0.38 O ATOM 1312 CB LEU A 137 -2.708 -12.370 -0.914 1.00 0.51 C ATOM 1313 CG LEU A 137 -4.181 -12.452 -1.355 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -4.253 -12.628 -2.888 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -4.896 -13.625 -0.634 1.00 0.92 C ATOM 0 H LEU A 137 -2.992 -10.006 -0.160 1.00 0.40 H new ATOM 0 HA LEU A 137 -3.388 -12.514 1.125 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -2.178 -11.638 -1.523 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -2.219 -13.331 -1.073 1.00 0.51 H new ATOM 0 HG LEU A 137 -4.689 -11.527 -1.082 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -5.296 -12.686 -3.199 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -3.776 -11.777 -3.375 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -3.738 -13.545 -3.174 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -5.936 -13.670 -0.956 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -4.398 -14.562 -0.883 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -4.856 -13.468 0.444 1.00 0.92 H new ATOM 1327 N THR A 138 -0.220 -11.638 0.706 1.00 0.50 N ATOM 1328 CA THR A 138 1.151 -11.955 1.200 1.00 0.55 C ATOM 1329 C THR A 138 1.220 -11.709 2.710 1.00 0.47 C ATOM 1330 O THR A 138 0.457 -10.942 3.262 1.00 0.50 O ATOM 1331 CB THR A 138 2.179 -11.071 0.478 1.00 0.73 C ATOM 1332 OG1 THR A 138 1.624 -9.781 0.271 1.00 0.98 O ATOM 1333 CG2 THR A 138 2.543 -11.692 -0.873 1.00 1.04 C ATOM 0 H THR A 138 -0.278 -10.855 0.055 1.00 0.50 H new ATOM 0 HA THR A 138 1.377 -13.002 0.996 1.00 0.55 H new ATOM 0 HB THR A 138 3.078 -10.992 1.089 1.00 0.73 H new ATOM 0 HG1 THR A 138 1.885 -9.451 -0.614 1.00 0.98 H new ATOM 0 HG21 THR A 138 3.272 -11.060 -1.379 1.00 1.04 H new ATOM 0 HG22 THR A 138 2.969 -12.683 -0.715 1.00 1.04 H new ATOM 0 HG23 THR A 138 1.647 -11.776 -1.488 1.00 1.04 H new ATOM 1341 N PHE A 139 2.126 -12.372 3.380 1.00 0.51 N ATOM 1342 CA PHE A 139 2.251 -12.202 4.862 1.00 0.49 C ATOM 1343 C PHE A 139 3.357 -11.193 5.194 1.00 0.65 C ATOM 1344 O PHE A 139 4.308 -11.028 4.456 1.00 1.43 O ATOM 1345 CB PHE A 139 2.597 -13.557 5.489 1.00 0.52 C ATOM 1346 CG PHE A 139 2.572 -13.443 6.999 1.00 0.50 C ATOM 1347 CD1 PHE A 139 1.369 -13.172 7.660 1.00 0.67 C ATOM 1348 CD2 PHE A 139 3.750 -13.615 7.739 1.00 0.59 C ATOM 1349 CE1 PHE A 139 1.342 -13.073 9.057 1.00 0.77 C ATOM 1350 CE2 PHE A 139 3.723 -13.515 9.135 1.00 0.62 C ATOM 1351 CZ PHE A 139 2.519 -13.243 9.795 1.00 0.66 C ATOM 0 H PHE A 139 2.788 -13.027 2.965 1.00 0.51 H new ATOM 0 HA PHE A 139 1.307 -11.831 5.260 1.00 0.49 H new ATOM 0 HB2 PHE A 139 1.884 -14.313 5.160 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.583 -13.882 5.156 1.00 0.52 H new ATOM 0 HD1 PHE A 139 0.460 -13.039 7.092 1.00 0.67 H new ATOM 0 HD2 PHE A 139 4.680 -13.825 7.231 1.00 0.59 H new ATOM 0 HE1 PHE A 139 0.412 -12.865 9.565 1.00 0.77 H new ATOM 0 HE2 PHE A 139 4.632 -13.648 9.703 1.00 0.62 H new ATOM 0 HZ PHE A 139 2.498 -13.164 10.872 1.00 0.66 H new ATOM 1361 N GLY A 140 3.240 -10.523 6.312 1.00 0.46 N ATOM 1362 CA GLY A 140 4.280 -9.531 6.720 1.00 0.43 C ATOM 1363 C GLY A 140 3.841 -8.124 6.323 1.00 0.35 C ATOM 1364 O GLY A 140 4.019 -7.176 7.063 1.00 0.32 O ATOM 0 H GLY A 140 2.462 -10.622 6.965 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.440 -9.581 7.797 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.231 -9.772 6.245 1.00 0.43 H new ATOM 1368 N TRP A 141 3.260 -7.978 5.168 1.00 0.34 N ATOM 1369 CA TRP A 141 2.807 -6.624 4.739 1.00 0.29 C ATOM 1370 C TRP A 141 1.578 -6.260 5.560 1.00 0.32 C ATOM 1371 O TRP A 141 0.464 -6.624 5.241 1.00 0.40 O ATOM 1372 CB TRP A 141 2.486 -6.649 3.242 1.00 0.33 C ATOM 1373 CG TRP A 141 2.274 -5.264 2.693 1.00 0.31 C ATOM 1374 CD1 TRP A 141 1.193 -4.903 1.962 1.00 0.35 C ATOM 1375 CD2 TRP A 141 3.126 -4.067 2.775 1.00 0.28 C ATOM 1376 NE1 TRP A 141 1.318 -3.579 1.591 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.484 -3.018 2.066 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.372 -3.780 3.383 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 3.045 -1.746 1.961 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 4.935 -2.494 3.275 1.00 0.31 C ATOM 1381 CH2 TRP A 141 4.273 -1.481 2.566 1.00 0.33 C ATOM 0 H TRP A 141 3.079 -8.731 4.504 1.00 0.34 H new ATOM 0 HA TRP A 141 3.584 -5.877 4.903 1.00 0.29 H new ATOM 0 HB2 TRP A 141 3.301 -7.133 2.703 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.592 -7.248 3.072 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.365 -5.548 1.709 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.629 -3.076 1.032 1.00 0.33 H new ATOM 0 HE3 TRP A 141 4.893 -4.551 3.932 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.531 -0.970 1.414 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.886 -2.286 3.743 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.713 -0.498 2.489 1.00 0.33 H new ATOM 1392 N CYS A 142 1.796 -5.572 6.645 1.00 0.31 N ATOM 1393 CA CYS A 142 0.674 -5.202 7.544 1.00 0.40 C ATOM 1394 C CYS A 142 -0.076 -3.982 7.011 1.00 0.39 C ATOM 1395 O CYS A 142 -0.423 -3.084 7.754 1.00 0.48 O ATOM 1396 CB CYS A 142 1.247 -4.900 8.920 1.00 0.47 C ATOM 1397 SG CYS A 142 1.642 -6.459 9.752 1.00 1.45 S ATOM 0 H CYS A 142 2.714 -5.248 6.948 1.00 0.31 H new ATOM 0 HA CYS A 142 -0.035 -6.028 7.599 1.00 0.40 H new ATOM 0 HB2 CYS A 142 2.143 -4.285 8.828 1.00 0.47 H new ATOM 0 HB3 CYS A 142 0.529 -4.330 9.510 1.00 0.47 H new ATOM 0 HG CYS A 142 2.895 -6.748 9.560 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.338 -3.954 5.735 1.00 0.38 N ATOM 1404 CA TYR A 143 -1.083 -2.806 5.126 1.00 0.40 C ATOM 1405 C TYR A 143 -2.374 -3.347 4.504 1.00 0.43 C ATOM 1406 O TYR A 143 -2.348 -4.058 3.519 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.195 -2.165 4.042 1.00 0.55 C ATOM 1408 CG TYR A 143 0.497 -0.929 4.582 1.00 1.43 C ATOM 1409 CD1 TYR A 143 -0.258 0.202 4.900 1.00 2.16 C ATOM 1410 CD2 TYR A 143 1.890 -0.912 4.752 1.00 2.17 C ATOM 1411 CE1 TYR A 143 0.373 1.351 5.390 1.00 3.14 C ATOM 1412 CE2 TYR A 143 2.522 0.238 5.241 1.00 3.14 C ATOM 1413 CZ TYR A 143 1.763 1.370 5.559 1.00 3.52 C ATOM 1414 OH TYR A 143 2.383 2.506 6.040 1.00 4.57 O ATOM 0 H TYR A 143 -0.066 -4.684 5.076 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.329 -2.055 5.876 1.00 0.40 H new ATOM 0 HB2 TYR A 143 0.549 -2.885 3.701 1.00 0.55 H new ATOM 0 HB3 TYR A 143 -0.802 -1.900 3.177 1.00 0.55 H new ATOM 0 HD1 TYR A 143 -1.330 0.190 4.768 1.00 2.16 H new ATOM 0 HD2 TYR A 143 2.475 -1.786 4.506 1.00 2.17 H new ATOM 0 HE1 TYR A 143 -0.213 2.224 5.638 1.00 3.14 H new ATOM 0 HE2 TYR A 143 3.594 0.251 5.373 1.00 3.14 H new ATOM 0 HH TYR A 143 3.349 2.352 6.098 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.501 -3.014 5.079 1.00 0.39 N ATOM 1425 CA LYS A 144 -4.813 -3.504 4.549 1.00 0.51 C ATOM 1426 C LYS A 144 -5.659 -2.313 4.100 1.00 0.43 C ATOM 1427 O LYS A 144 -5.883 -1.382 4.848 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.550 -4.261 5.661 1.00 0.70 C ATOM 1429 CG LYS A 144 -5.744 -3.345 6.884 1.00 1.21 C ATOM 1430 CD LYS A 144 -5.918 -4.189 8.153 1.00 1.24 C ATOM 1431 CE LYS A 144 -7.210 -5.003 8.057 1.00 1.57 C ATOM 1432 NZ LYS A 144 -8.356 -4.082 7.815 1.00 2.32 N ATOM 0 H LYS A 144 -3.571 -2.417 5.903 1.00 0.39 H new ATOM 0 HA LYS A 144 -4.642 -4.167 3.700 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -6.518 -4.606 5.297 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -4.983 -5.147 5.946 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -4.884 -2.684 6.993 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -6.618 -2.710 6.738 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -5.065 -4.856 8.278 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -5.948 -3.543 9.030 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -7.136 -5.730 7.248 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -7.368 -5.565 8.977 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -9.238 -4.536 8.128 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -8.212 -3.201 8.348 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -8.419 -3.866 6.800 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.138 -2.340 2.886 1.00 0.40 N ATOM 1447 CA LEU A 145 -6.981 -1.212 2.400 1.00 0.37 C ATOM 1448 C LEU A 145 -8.382 -1.364 2.998 1.00 0.38 C ATOM 1449 O LEU A 145 -8.788 -2.450 3.356 1.00 0.41 O ATOM 1450 CB LEU A 145 -7.059 -1.245 0.867 1.00 0.42 C ATOM 1451 CG LEU A 145 -5.725 -0.770 0.252 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -5.597 -1.309 -1.177 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -5.664 0.765 0.207 1.00 0.52 C ATOM 0 H LEU A 145 -5.983 -3.091 2.213 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.547 -0.260 2.705 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -7.283 -2.257 0.529 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -7.873 -0.607 0.524 1.00 0.42 H new ATOM 0 HG LEU A 145 -4.910 -1.143 0.872 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -4.655 -0.973 -1.610 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -5.619 -2.399 -1.158 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -6.426 -0.940 -1.781 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -4.716 1.079 -0.230 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -6.486 1.144 -0.400 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -5.746 1.162 1.219 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.123 -0.293 3.117 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.494 -0.391 3.711 1.00 0.50 C ATOM 1467 C VAL A 146 -11.331 0.819 3.248 1.00 0.59 C ATOM 1468 O VAL A 146 -10.908 1.947 3.408 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.389 -0.327 5.247 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -11.789 -0.326 5.870 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -9.610 -1.530 5.786 1.00 0.56 C ATOM 0 H VAL A 146 -8.841 0.644 2.830 1.00 0.43 H new ATOM 0 HA VAL A 146 -10.957 -1.326 3.396 1.00 0.50 H new ATOM 0 HB VAL A 146 -9.864 0.591 5.512 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -11.704 -0.281 6.956 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.345 0.541 5.513 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.315 -1.237 5.585 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -9.547 -1.466 6.872 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -10.122 -2.450 5.506 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -8.605 -1.531 5.364 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.513 0.613 2.698 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.381 1.743 2.249 1.00 0.81 C ATOM 1483 C PRO A 147 -14.081 2.425 3.434 1.00 0.91 C ATOM 1484 O PRO A 147 -14.464 1.783 4.391 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.400 1.067 1.323 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.530 -0.324 1.855 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.157 -0.693 2.433 1.00 0.75 C ATOM 0 HA PRO A 147 -12.815 2.534 1.757 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.357 1.588 1.339 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -14.055 1.065 0.289 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.302 -0.376 2.623 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -14.819 -1.017 1.065 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.254 -1.282 3.345 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -12.575 -1.289 1.729 1.00 0.75 H new ATOM 1780 N LEU A 181 -10.380 4.359 -1.138 1.00 0.58 N ATOM 1781 CA LEU A 181 -9.831 3.378 -0.136 1.00 0.52 C ATOM 1782 C LEU A 181 -8.596 3.966 0.550 1.00 0.47 C ATOM 1783 O LEU A 181 -7.824 4.668 -0.058 1.00 0.51 O ATOM 1784 CB LEU A 181 -9.419 2.092 -0.861 1.00 0.60 C ATOM 1785 CG LEU A 181 -10.602 1.528 -1.682 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -10.069 0.712 -2.863 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -11.467 0.616 -0.801 1.00 0.87 C ATOM 0 HA LEU A 181 -10.598 3.166 0.608 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -8.575 2.294 -1.521 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -9.086 1.350 -0.136 1.00 0.60 H new ATOM 0 HG LEU A 181 -11.203 2.361 -2.047 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -10.906 0.316 -3.439 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -9.459 1.351 -3.501 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -9.462 -0.113 -2.491 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -12.297 0.224 -1.388 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -10.862 -0.211 -0.430 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -11.856 1.187 0.042 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.407 3.678 1.820 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.218 4.214 2.565 1.00 0.45 C ATOM 1801 C GLU A 182 -6.349 3.079 3.100 1.00 0.42 C ATOM 1802 O GLU A 182 -6.828 2.039 3.510 1.00 0.43 O ATOM 1803 CB GLU A 182 -7.695 5.072 3.744 1.00 0.49 C ATOM 1804 CG GLU A 182 -8.744 4.304 4.554 1.00 0.56 C ATOM 1805 CD GLU A 182 -9.308 5.207 5.654 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -9.183 6.413 5.524 1.00 1.62 O ATOM 1807 OE2 GLU A 182 -9.856 4.676 6.607 1.00 1.49 O ATOM 0 H GLU A 182 -9.030 3.091 2.375 1.00 0.45 H new ATOM 0 HA GLU A 182 -6.627 4.814 1.874 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -6.850 5.333 4.381 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -8.118 6.007 3.377 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -9.548 3.966 3.899 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -8.297 3.413 4.995 1.00 0.56 H new ATOM 1814 N TRP A 183 -5.061 3.300 3.106 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.115 2.277 3.623 1.00 0.38 C ATOM 1816 C TRP A 183 -4.196 2.272 5.151 1.00 0.37 C ATOM 1817 O TRP A 183 -3.833 3.233 5.799 1.00 0.43 O ATOM 1818 CB TRP A 183 -2.684 2.647 3.193 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.381 2.114 1.827 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -2.184 0.812 1.522 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.216 2.854 0.585 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -1.900 0.706 0.170 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -1.912 1.941 -0.451 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.300 4.219 0.264 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -1.695 2.369 -1.762 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -2.083 4.655 -1.053 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -1.780 3.731 -2.064 1.00 0.41 C ATOM 0 H TRP A 183 -4.622 4.157 2.770 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.370 1.294 3.228 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -2.567 3.731 3.199 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -1.969 2.245 3.911 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -2.239 -0.011 2.219 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -1.706 -0.174 -0.308 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -2.533 4.938 1.035 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -1.463 1.653 -2.537 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -2.150 5.707 -1.289 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -1.613 4.072 -3.075 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.667 1.202 5.732 1.00 0.35 N ATOM 1839 CA ARG A 184 -4.769 1.135 7.221 1.00 0.35 C ATOM 1840 C ARG A 184 -3.572 0.358 7.773 1.00 0.31 C ATOM 1841 O ARG A 184 -3.548 -0.857 7.771 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.073 0.425 7.598 1.00 0.40 C ATOM 1843 CG ARG A 184 -7.274 1.357 7.341 1.00 0.98 C ATOM 1844 CD ARG A 184 -7.558 2.202 8.587 1.00 1.51 C ATOM 1845 NE ARG A 184 -8.012 1.309 9.687 1.00 1.57 N ATOM 1846 CZ ARG A 184 -8.027 1.742 10.917 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -7.643 2.960 11.184 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -8.420 0.954 11.879 1.00 2.61 N ATOM 0 H ARG A 184 -4.987 0.368 5.239 1.00 0.35 H new ATOM 0 HA ARG A 184 -4.768 2.140 7.644 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -6.181 -0.490 7.015 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -6.047 0.133 8.648 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -7.065 2.007 6.491 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -8.154 0.767 7.083 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -6.660 2.742 8.888 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -8.322 2.949 8.369 1.00 1.51 H new ATOM 0 HE ARG A 184 -8.312 0.357 9.479 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -7.331 3.573 10.431 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -7.655 3.299 12.146 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -8.715 0.000 11.669 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -8.432 1.291 12.842 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.576 1.059 8.237 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.366 0.377 8.787 1.00 0.31 C ATOM 1864 C PHE A 185 -1.729 -0.366 10.078 1.00 0.31 C ATOM 1865 O PHE A 185 -2.417 0.153 10.934 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.294 1.429 9.078 1.00 0.40 C ATOM 1867 CG PHE A 185 0.881 0.802 9.795 1.00 0.44 C ATOM 1868 CD1 PHE A 185 0.862 0.672 11.188 1.00 0.65 C ATOM 1869 CD2 PHE A 185 1.998 0.368 9.067 1.00 0.62 C ATOM 1870 CE1 PHE A 185 1.956 0.105 11.854 1.00 0.75 C ATOM 1871 CE2 PHE A 185 3.092 -0.194 9.733 1.00 0.74 C ATOM 1872 CZ PHE A 185 3.072 -0.326 11.126 1.00 0.71 C ATOM 0 H PHE A 185 -2.545 2.078 8.260 1.00 0.31 H new ATOM 0 HA PHE A 185 -0.988 -0.343 8.062 1.00 0.31 H new ATOM 0 HB2 PHE A 185 0.041 1.883 8.145 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -0.716 2.228 9.688 1.00 0.40 H new ATOM 0 HD1 PHE A 185 0.003 1.009 11.750 1.00 0.65 H new ATOM 0 HD2 PHE A 185 2.014 0.468 7.992 1.00 0.62 H new ATOM 0 HE1 PHE A 185 1.939 0.000 12.929 1.00 0.75 H new ATOM 0 HE2 PHE A 185 3.953 -0.526 9.172 1.00 0.74 H new ATOM 0 HZ PHE A 185 3.917 -0.760 11.640 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.280 -1.585 10.215 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.599 -2.376 11.433 1.00 0.32 C ATOM 1884 C ASP A 186 -0.518 -3.442 11.636 1.00 0.30 C ATOM 1885 O ASP A 186 -0.744 -4.615 11.412 1.00 0.32 O ATOM 1886 CB ASP A 186 -2.952 -3.047 11.212 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.549 -3.479 12.553 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -2.786 -3.659 13.488 1.00 1.23 O ATOM 1889 OD2 ASP A 186 -4.758 -3.625 12.620 1.00 1.16 O ATOM 0 H ASP A 186 -0.701 -2.068 9.528 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.635 -1.736 12.315 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.630 -2.359 10.708 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.835 -3.913 10.561 1.00 0.37 H new ATOM 1894 N SER A 187 0.660 -3.038 12.040 1.00 0.33 N ATOM 1895 CA SER A 187 1.778 -4.015 12.239 1.00 0.34 C ATOM 1896 C SER A 187 1.285 -5.249 13.011 1.00 0.35 C ATOM 1897 O SER A 187 1.989 -6.232 13.128 1.00 0.37 O ATOM 1898 CB SER A 187 2.902 -3.335 13.040 1.00 0.40 C ATOM 1899 OG SER A 187 2.825 -3.727 14.407 1.00 1.32 O ATOM 0 H SER A 187 0.898 -2.067 12.242 1.00 0.33 H new ATOM 0 HA SER A 187 2.147 -4.334 11.264 1.00 0.34 H new ATOM 0 HB2 SER A 187 3.873 -3.610 12.627 1.00 0.40 H new ATOM 0 HB3 SER A 187 2.816 -2.252 12.957 1.00 0.40 H new ATOM 0 HG SER A 187 3.544 -3.293 14.913 1.00 1.32 H new ATOM 1905 N ARG A 188 0.096 -5.206 13.547 1.00 0.40 N ATOM 1906 CA ARG A 188 -0.415 -6.375 14.319 1.00 0.46 C ATOM 1907 C ARG A 188 -0.468 -7.613 13.417 1.00 0.42 C ATOM 1908 O ARG A 188 -0.113 -8.701 13.825 1.00 0.43 O ATOM 1909 CB ARG A 188 -1.821 -6.063 14.840 1.00 0.58 C ATOM 1910 CG ARG A 188 -2.281 -7.182 15.775 1.00 1.40 C ATOM 1911 CD ARG A 188 -3.684 -6.867 16.299 1.00 1.75 C ATOM 1912 NE ARG A 188 -4.662 -6.906 15.177 1.00 2.37 N ATOM 1913 CZ ARG A 188 -5.937 -7.009 15.433 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -6.350 -7.078 16.669 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -6.798 -7.043 14.455 1.00 3.87 N ATOM 0 H ARG A 188 -0.543 -4.414 13.484 1.00 0.40 H new ATOM 0 HA ARG A 188 0.253 -6.572 15.158 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -1.821 -5.110 15.369 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -2.515 -5.964 14.006 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -2.285 -8.134 15.245 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -1.585 -7.284 16.608 1.00 1.40 H new ATOM 0 HD2 ARG A 188 -3.967 -7.589 17.065 1.00 1.75 H new ATOM 0 HD3 ARG A 188 -3.694 -5.883 16.769 1.00 1.75 H new ATOM 0 HE ARG A 188 -4.336 -6.852 14.212 1.00 2.37 H new ATOM 0 HH11 ARG A 188 -5.676 -7.051 17.434 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -7.347 -7.159 16.870 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -6.475 -6.989 13.489 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -7.795 -7.124 14.656 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.905 -7.461 12.197 1.00 0.43 N ATOM 1930 CA LEU A 189 -0.970 -8.633 11.277 1.00 0.46 C ATOM 1931 C LEU A 189 0.439 -9.181 11.051 1.00 0.41 C ATOM 1932 O LEU A 189 0.635 -10.130 10.320 1.00 0.46 O ATOM 1933 CB LEU A 189 -1.584 -8.214 9.935 1.00 0.57 C ATOM 1934 CG LEU A 189 -3.088 -7.937 10.103 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -3.632 -7.304 8.817 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -3.853 -9.246 10.394 1.00 1.78 C ATOM 0 H LEU A 189 -1.220 -6.577 11.797 1.00 0.43 H new ATOM 0 HA LEU A 189 -1.594 -9.406 11.725 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -1.082 -7.322 9.560 1.00 0.57 H new ATOM 0 HB3 LEU A 189 -1.432 -9.000 9.196 1.00 0.57 H new ATOM 0 HG LEU A 189 -3.229 -7.257 10.943 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -4.698 -7.106 8.932 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -3.108 -6.368 8.622 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -3.478 -7.987 7.982 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -4.915 -9.029 10.510 1.00 1.78 H new ATOM 0 HD22 LEU A 189 -3.713 -9.941 9.566 1.00 1.78 H new ATOM 0 HD23 LEU A 189 -3.472 -9.694 11.312 1.00 1.78 H new ATOM 1948 N ALA A 190 1.423 -8.599 11.680 1.00 0.37 N ATOM 1949 CA ALA A 190 2.811 -9.104 11.499 1.00 0.42 C ATOM 1950 C ALA A 190 2.964 -10.406 12.283 1.00 0.44 C ATOM 1951 O ALA A 190 4.024 -11.000 12.325 1.00 0.53 O ATOM 1952 CB ALA A 190 3.809 -8.069 12.025 1.00 0.47 C ATOM 0 H ALA A 190 1.326 -7.801 12.307 1.00 0.37 H new ATOM 0 HA ALA A 190 3.006 -9.280 10.441 1.00 0.42 H new ATOM 0 HB1 ALA A 190 4.824 -8.442 11.891 1.00 0.47 H new ATOM 0 HB2 ALA A 190 3.689 -7.136 11.475 1.00 0.47 H new ATOM 0 HB3 ALA A 190 3.625 -7.891 13.085 1.00 0.47 H new ATOM 1958 N PHE A 191 1.902 -10.847 12.911 1.00 0.42 N ATOM 1959 CA PHE A 191 1.955 -12.113 13.710 1.00 0.51 C ATOM 1960 C PHE A 191 0.723 -12.968 13.393 1.00 0.56 C ATOM 1961 O PHE A 191 0.827 -14.019 12.789 1.00 0.96 O ATOM 1962 CB PHE A 191 1.980 -11.758 15.197 1.00 0.58 C ATOM 1963 CG PHE A 191 3.183 -10.885 15.462 1.00 1.14 C ATOM 1964 CD1 PHE A 191 4.458 -11.457 15.527 1.00 1.81 C ATOM 1965 CD2 PHE A 191 3.025 -9.504 15.633 1.00 1.98 C ATOM 1966 CE1 PHE A 191 5.575 -10.649 15.765 1.00 2.75 C ATOM 1967 CE2 PHE A 191 4.143 -8.696 15.870 1.00 2.87 C ATOM 1968 CZ PHE A 191 5.419 -9.269 15.936 1.00 3.15 C ATOM 0 H PHE A 191 0.994 -10.382 12.905 1.00 0.42 H new ATOM 0 HA PHE A 191 2.851 -12.679 13.457 1.00 0.51 H new ATOM 0 HB2 PHE A 191 1.065 -11.237 15.477 1.00 0.58 H new ATOM 0 HB3 PHE A 191 2.029 -12.664 15.802 1.00 0.58 H new ATOM 0 HD1 PHE A 191 4.580 -12.522 15.394 1.00 1.81 H new ATOM 0 HD2 PHE A 191 2.041 -9.063 15.582 1.00 1.98 H new ATOM 0 HE1 PHE A 191 6.559 -11.091 15.817 1.00 2.75 H new ATOM 0 HE2 PHE A 191 4.022 -7.631 16.002 1.00 2.87 H new ATOM 0 HZ PHE A 191 6.282 -8.646 16.119 1.00 3.15 H new ATOM 1978 N HIS A 192 -0.441 -12.528 13.781 1.00 0.64 N ATOM 1979 CA HIS A 192 -1.668 -13.321 13.484 1.00 0.72 C ATOM 1980 C HIS A 192 -1.995 -13.183 11.996 1.00 0.67 C ATOM 1981 O HIS A 192 -2.263 -12.103 11.507 1.00 1.26 O ATOM 1982 CB HIS A 192 -2.835 -12.797 14.323 1.00 1.01 C ATOM 1983 CG HIS A 192 -2.428 -12.763 15.772 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -1.514 -13.660 16.299 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -2.803 -11.951 16.814 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -1.372 -13.372 17.606 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -2.135 -12.338 17.971 1.00 3.35 N ATOM 0 H HIS A 192 -0.597 -11.657 14.289 1.00 0.64 H new ATOM 0 HA HIS A 192 -1.501 -14.370 13.729 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -3.119 -11.799 13.989 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -3.708 -13.437 14.193 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -3.509 -11.136 16.746 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -0.721 -13.911 18.278 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -2.211 -11.922 18.899 1.00 3.35 H new ATOM 1995 N HIS A 193 -1.960 -14.268 11.268 1.00 0.77 N ATOM 1996 CA HIS A 193 -2.252 -14.204 9.803 1.00 0.85 C ATOM 1997 C HIS A 193 -3.758 -14.368 9.563 1.00 0.74 C ATOM 1998 O HIS A 193 -4.279 -15.466 9.569 1.00 0.78 O ATOM 1999 CB HIS A 193 -1.488 -15.332 9.095 1.00 1.28 C ATOM 2000 CG HIS A 193 -1.362 -15.026 7.625 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -0.529 -15.750 6.789 1.00 2.84 N ATOM 2002 CD2 HIS A 193 -1.959 -14.078 6.832 1.00 2.99 C ATOM 2003 CE1 HIS A 193 -0.646 -15.232 5.552 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -1.505 -14.210 5.523 1.00 3.87 N ATOM 0 H HIS A 193 -1.741 -15.198 11.624 1.00 0.77 H new ATOM 0 HA HIS A 193 -1.937 -13.238 9.408 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -0.498 -15.445 9.537 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -2.010 -16.279 9.234 1.00 1.28 H new ATOM 0 HD1 HIS A 193 0.065 -16.533 7.061 1.00 2.84 H new ATOM 0 HD2 HIS A 193 -2.672 -13.342 7.172 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -0.111 -15.598 4.689 1.00 3.75 H new ATOM 2012 N MET A 194 -4.460 -13.286 9.346 1.00 0.73 N ATOM 2013 CA MET A 194 -5.929 -13.385 9.101 1.00 0.79 C ATOM 2014 C MET A 194 -6.182 -13.890 7.676 1.00 0.75 C ATOM 2015 O MET A 194 -6.983 -14.778 7.456 1.00 0.90 O ATOM 2016 CB MET A 194 -6.579 -12.005 9.265 1.00 0.91 C ATOM 2017 CG MET A 194 -6.348 -11.476 10.685 1.00 1.47 C ATOM 2018 SD MET A 194 -7.127 -12.584 11.889 1.00 2.35 S ATOM 2019 CE MET A 194 -8.696 -11.696 12.051 1.00 2.94 C ATOM 0 H MET A 194 -4.080 -12.340 9.328 1.00 0.73 H new ATOM 0 HA MET A 194 -6.361 -14.080 9.821 1.00 0.79 H new ATOM 0 HB2 MET A 194 -6.161 -11.309 8.538 1.00 0.91 H new ATOM 0 HB3 MET A 194 -7.648 -12.072 9.064 1.00 0.91 H new ATOM 0 HG2 MET A 194 -5.279 -11.401 10.885 1.00 1.47 H new ATOM 0 HG3 MET A 194 -6.762 -10.472 10.780 1.00 1.47 H new ATOM 0 HE1 MET A 194 -9.338 -12.218 12.760 1.00 2.94 H new ATOM 0 HE2 MET A 194 -8.506 -10.685 12.410 1.00 2.94 H new ATOM 0 HE3 MET A 194 -9.190 -11.649 11.080 1.00 2.94 H new ATOM 2029 N ALA A 195 -5.512 -13.328 6.708 1.00 0.66 N ATOM 2030 CA ALA A 195 -5.721 -13.771 5.300 1.00 0.76 C ATOM 2031 C ALA A 195 -5.636 -15.299 5.219 1.00 0.90 C ATOM 2032 O ALA A 195 -6.328 -15.929 4.443 1.00 1.11 O ATOM 2033 CB ALA A 195 -4.643 -13.149 4.407 1.00 0.82 C ATOM 0 H ALA A 195 -4.829 -12.581 6.831 1.00 0.66 H new ATOM 0 HA ALA A 195 -6.706 -13.449 4.962 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -4.793 -13.471 3.377 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -4.709 -12.062 4.460 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -3.659 -13.470 4.748 1.00 0.82 H new