USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 524 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 72 MET CE :methyl 164:sc= -0.0405 (180deg=-0.736) USER MOD Set 1.2: A 89 MET CE :methyl 148:sc= -0.362 (180deg=-0.233) USER MOD Single : A 15 SER OG : rot 40:sc= 0.124 USER MOD Single : A 17 LYS NZ :NH3+ -167:sc= -0.0153 (180deg=-0.198) USER MOD Single : A 20 ASN : amide:sc= 0.332 K(o=0.33,f=-0.57) USER MOD Single : A 22 THR OG1 : rot -42:sc= 0.744 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -170:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 117:sc= 0.236 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -91:sc= 0.0509 USER MOD Single : A 44 TYR OH : rot -107:sc= 0.701 USER MOD Single : A 63 HIS : no HD1:sc= -1.88 K(o=-1.9,f=-6.9!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -170:sc= -0.784 (180deg=-1.19) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD ----------------------------------------------------------------- ATOM 203 N SER A 15 11.437 6.785 5.662 1.00 0.00 N ATOM 204 CA SER A 15 10.387 6.809 4.649 1.00 0.00 C ATOM 205 C SER A 15 10.051 5.406 4.184 1.00 0.00 C ATOM 206 O SER A 15 10.929 4.605 3.872 1.00 0.00 O ATOM 207 CB SER A 15 10.752 7.719 3.475 1.00 0.00 C ATOM 208 OG SER A 15 11.079 9.008 3.951 1.00 0.00 O ATOM 0 HA SER A 15 9.494 7.230 5.110 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.595 7.299 2.927 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.917 7.780 2.777 1.00 0.00 H new ATOM 0 HG SER A 15 11.606 8.929 4.773 1.00 0.00 H new ATOM 214 N LEU A 16 8.754 5.116 4.144 1.00 0.00 N ATOM 215 CA LEU A 16 8.268 3.822 3.689 1.00 0.00 C ATOM 216 C LEU A 16 7.704 3.980 2.285 1.00 0.00 C ATOM 217 O LEU A 16 7.404 5.105 1.896 1.00 0.00 O ATOM 218 CB LEU A 16 7.188 3.319 4.650 1.00 0.00 C ATOM 219 CG LEU A 16 6.759 1.868 4.391 1.00 0.00 C ATOM 220 CD1 LEU A 16 7.919 0.911 4.647 1.00 0.00 C ATOM 221 CD2 LEU A 16 5.593 1.499 5.305 1.00 0.00 C ATOM 0 H LEU A 16 8.019 5.765 4.423 1.00 0.00 H new ATOM 0 HA LEU A 16 9.080 3.095 3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.556 3.403 5.672 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.315 3.966 4.572 1.00 0.00 H new ATOM 0 HG LEU A 16 6.451 1.783 3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.595 -0.112 4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.748 1.158 3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.245 1.003 5.683 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.294 0.468 5.115 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.900 1.602 6.346 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.751 2.163 5.107 1.00 0.00 H new ATOM 233 N LYS A 17 7.568 2.861 1.566 1.00 0.00 N ATOM 234 CA LYS A 17 6.960 2.722 0.246 1.00 0.00 C ATOM 235 C LYS A 17 6.196 1.401 0.250 1.00 0.00 C ATOM 236 O LYS A 17 6.694 0.384 0.731 1.00 0.00 O ATOM 237 CB LYS A 17 8.056 2.737 -0.830 1.00 0.00 C ATOM 238 CG LYS A 17 7.725 1.973 -2.118 1.00 0.00 C ATOM 239 CD LYS A 17 6.588 2.612 -2.912 1.00 0.00 C ATOM 240 CE LYS A 17 6.225 1.740 -4.111 1.00 0.00 C ATOM 241 NZ LYS A 17 7.358 1.608 -5.050 1.00 0.00 N ATOM 0 H LYS A 17 7.906 1.966 1.920 1.00 0.00 H new ATOM 0 HA LYS A 17 6.280 3.544 0.023 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.273 3.773 -1.088 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.967 2.317 -0.403 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.616 1.924 -2.744 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.455 0.947 -1.867 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.716 2.742 -2.271 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.885 3.604 -3.252 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.922 0.752 -3.765 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.370 2.172 -4.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.021 1.203 -5.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.772 2.545 -5.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.080 0.983 -4.637 1.00 0.00 H new ATOM 255 N VAL A 18 4.977 1.407 -0.289 1.00 0.00 N ATOM 256 CA VAL A 18 4.171 0.200 -0.423 1.00 0.00 C ATOM 257 C VAL A 18 3.664 0.062 -1.846 1.00 0.00 C ATOM 258 O VAL A 18 3.266 1.069 -2.430 1.00 0.00 O ATOM 259 CB VAL A 18 2.989 0.291 0.527 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.870 -0.672 0.112 1.00 0.00 C ATOM 261 CG2 VAL A 18 3.475 -0.022 1.935 1.00 0.00 C ATOM 0 H VAL A 18 4.523 2.249 -0.644 1.00 0.00 H new ATOM 0 HA VAL A 18 4.782 -0.670 -0.182 1.00 0.00 H new ATOM 0 HB VAL A 18 2.574 1.299 0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.037 -0.585 0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.529 -0.422 -0.893 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.247 -1.695 0.123 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.638 0.039 2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.895 -1.028 1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.240 0.698 2.224 1.00 0.00 H new ATOM 271 N ASP A 19 3.692 -1.188 -2.338 1.00 0.00 N ATOM 272 CA ASP A 19 3.470 -1.602 -3.720 1.00 0.00 C ATOM 273 C ASP A 19 2.626 -2.890 -3.797 1.00 0.00 C ATOM 274 O ASP A 19 2.363 -3.526 -2.780 1.00 0.00 O ATOM 275 CB ASP A 19 4.857 -1.746 -4.372 1.00 0.00 C ATOM 276 CG ASP A 19 5.033 -2.961 -5.278 1.00 0.00 C ATOM 277 OD1 ASP A 19 4.591 -2.893 -6.446 1.00 0.00 O ATOM 278 OD2 ASP A 19 5.611 -3.957 -4.794 1.00 0.00 O ATOM 0 H ASP A 19 3.884 -1.986 -1.732 1.00 0.00 H new ATOM 0 HA ASP A 19 2.888 -0.859 -4.265 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.061 -0.847 -4.955 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.607 -1.791 -3.583 1.00 0.00 H new ATOM 283 N ASN A 20 2.209 -3.252 -5.019 1.00 0.00 N ATOM 284 CA ASN A 20 1.355 -4.391 -5.358 1.00 0.00 C ATOM 285 C ASN A 20 -0.116 -4.080 -5.097 1.00 0.00 C ATOM 286 O ASN A 20 -0.532 -3.955 -3.947 1.00 0.00 O ATOM 287 CB ASN A 20 1.789 -5.675 -4.639 1.00 0.00 C ATOM 288 CG ASN A 20 1.393 -6.918 -5.426 1.00 0.00 C ATOM 289 OD1 ASN A 20 1.649 -7.006 -6.625 1.00 0.00 O ATOM 290 ND2 ASN A 20 0.769 -7.893 -4.776 1.00 0.00 N ATOM 0 H ASN A 20 2.478 -2.721 -5.847 1.00 0.00 H new ATOM 0 HA ASN A 20 1.475 -4.569 -6.427 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.869 -5.664 -4.494 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.334 -5.710 -3.649 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.490 -8.740 -5.272 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.568 -7.795 -3.781 1.00 0.00 H new ATOM 297 N LEU A 21 -0.899 -3.961 -6.175 1.00 0.00 N ATOM 298 CA LEU A 21 -2.329 -3.676 -6.124 1.00 0.00 C ATOM 299 C LEU A 21 -3.086 -4.609 -7.062 1.00 0.00 C ATOM 300 O LEU A 21 -2.478 -5.402 -7.780 1.00 0.00 O ATOM 301 CB LEU A 21 -2.604 -2.235 -6.571 1.00 0.00 C ATOM 302 CG LEU A 21 -1.741 -1.187 -5.878 1.00 0.00 C ATOM 303 CD1 LEU A 21 -2.100 0.168 -6.481 1.00 0.00 C ATOM 304 CD2 LEU A 21 -1.968 -1.143 -4.372 1.00 0.00 C ATOM 0 H LEU A 21 -0.544 -4.063 -7.126 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.661 -3.820 -5.096 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.446 -2.165 -7.647 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.653 -2.004 -6.387 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.692 -1.440 -6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.501 0.947 -6.009 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.898 0.154 -7.552 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.158 0.372 -6.313 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.328 -0.379 -3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.012 -0.904 -4.168 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.727 -2.114 -3.939 1.00 0.00 H new ATOM 316 N THR A 22 -4.417 -4.510 -7.055 1.00 0.00 N ATOM 317 CA THR A 22 -5.277 -5.316 -7.916 1.00 0.00 C ATOM 318 C THR A 22 -6.257 -4.448 -8.697 1.00 0.00 C ATOM 319 O THR A 22 -7.242 -4.974 -9.205 1.00 0.00 O ATOM 320 CB THR A 22 -6.008 -6.377 -7.086 1.00 0.00 C ATOM 321 OG1 THR A 22 -6.649 -7.298 -7.942 1.00 0.00 O ATOM 322 CG2 THR A 22 -7.035 -5.759 -6.135 1.00 0.00 C ATOM 0 H THR A 22 -4.927 -3.867 -6.450 1.00 0.00 H new ATOM 0 HA THR A 22 -4.649 -5.824 -8.648 1.00 0.00 H new ATOM 0 HB THR A 22 -5.261 -6.888 -6.479 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.066 -6.817 -8.687 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.528 -6.549 -5.568 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.532 -5.079 -5.448 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.779 -5.208 -6.711 1.00 0.00 H new ATOM 329 N TYR A 23 -5.987 -3.136 -8.789 1.00 0.00 N ATOM 330 CA TYR A 23 -6.790 -2.133 -9.500 1.00 0.00 C ATOM 331 C TYR A 23 -7.951 -1.606 -8.656 1.00 0.00 C ATOM 332 O TYR A 23 -8.655 -0.681 -9.058 1.00 0.00 O ATOM 333 CB TYR A 23 -7.235 -2.654 -10.870 1.00 0.00 C ATOM 334 CG TYR A 23 -8.729 -2.663 -11.110 1.00 0.00 C ATOM 335 CD1 TYR A 23 -9.582 -3.444 -10.314 1.00 0.00 C ATOM 336 CD2 TYR A 23 -9.259 -1.875 -12.140 1.00 0.00 C ATOM 337 CE1 TYR A 23 -10.963 -3.442 -10.552 1.00 0.00 C ATOM 338 CE2 TYR A 23 -10.636 -1.873 -12.389 1.00 0.00 C ATOM 339 CZ TYR A 23 -11.498 -2.658 -11.596 1.00 0.00 C ATOM 340 OH TYR A 23 -12.842 -2.655 -11.830 1.00 0.00 O ATOM 0 H TYR A 23 -5.163 -2.728 -8.348 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.150 -1.269 -9.680 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.764 -2.044 -11.641 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.859 -3.670 -10.993 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.173 -4.047 -9.517 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.602 -1.267 -12.744 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.618 -4.041 -9.936 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -11.039 -1.270 -13.189 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.042 -2.061 -12.584 1.00 0.00 H new ATOM 350 N ARG A 24 -8.145 -2.213 -7.484 1.00 0.00 N ATOM 351 CA ARG A 24 -9.238 -1.891 -6.576 1.00 0.00 C ATOM 352 C ARG A 24 -8.737 -1.612 -5.157 1.00 0.00 C ATOM 353 O ARG A 24 -9.517 -1.207 -4.299 1.00 0.00 O ATOM 354 CB ARG A 24 -10.204 -3.074 -6.618 1.00 0.00 C ATOM 355 CG ARG A 24 -11.454 -2.859 -5.764 1.00 0.00 C ATOM 356 CD ARG A 24 -12.349 -4.083 -5.894 1.00 0.00 C ATOM 357 NE ARG A 24 -11.723 -5.259 -5.272 1.00 0.00 N ATOM 358 CZ ARG A 24 -12.121 -6.519 -5.465 1.00 0.00 C ATOM 359 NH1 ARG A 24 -13.149 -6.800 -6.262 1.00 0.00 N ATOM 360 NH2 ARG A 24 -11.482 -7.513 -4.855 1.00 0.00 N ATOM 0 H ARG A 24 -7.535 -2.953 -7.137 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.740 -0.975 -6.888 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.503 -3.254 -7.650 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.687 -3.970 -6.275 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.177 -2.702 -4.721 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.986 -1.965 -6.091 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -13.312 -3.886 -5.422 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.545 -4.285 -6.947 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.930 -5.102 -4.650 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.647 -6.047 -6.737 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.439 -7.768 -6.398 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.692 -7.311 -4.243 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.782 -8.477 -4.999 1.00 0.00 H new ATOM 374 N THR A 25 -7.445 -1.823 -4.903 1.00 0.00 N ATOM 375 CA THR A 25 -6.888 -1.614 -3.573 1.00 0.00 C ATOM 376 C THR A 25 -7.064 -0.164 -3.124 1.00 0.00 C ATOM 377 O THR A 25 -7.462 0.069 -1.988 1.00 0.00 O ATOM 378 CB THR A 25 -5.416 -2.019 -3.576 1.00 0.00 C ATOM 379 OG1 THR A 25 -5.305 -3.393 -3.872 1.00 0.00 O ATOM 380 CG2 THR A 25 -4.783 -1.744 -2.218 1.00 0.00 C ATOM 0 H THR A 25 -6.770 -2.137 -5.600 1.00 0.00 H new ATOM 0 HA THR A 25 -7.426 -2.236 -2.858 1.00 0.00 H new ATOM 0 HB THR A 25 -4.895 -1.433 -4.333 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.383 -3.687 -3.720 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.734 -2.039 -2.239 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.856 -0.680 -1.991 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.305 -2.316 -1.451 1.00 0.00 H new ATOM 387 N SER A 26 -6.778 0.800 -4.013 1.00 0.00 N ATOM 388 CA SER A 26 -6.936 2.233 -3.779 1.00 0.00 C ATOM 389 C SER A 26 -6.175 2.792 -2.563 1.00 0.00 C ATOM 390 O SER A 26 -5.843 2.068 -1.627 1.00 0.00 O ATOM 391 CB SER A 26 -8.432 2.545 -3.692 1.00 0.00 C ATOM 392 OG SER A 26 -9.036 2.324 -4.954 1.00 0.00 O ATOM 0 H SER A 26 -6.419 0.590 -4.944 1.00 0.00 H new ATOM 0 HA SER A 26 -6.474 2.743 -4.624 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.902 1.915 -2.937 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.581 3.579 -3.382 1.00 0.00 H new ATOM 0 HG SER A 26 -9.994 2.522 -4.897 1.00 0.00 H new ATOM 398 N PRO A 27 -5.888 4.105 -2.565 1.00 0.00 N ATOM 399 CA PRO A 27 -5.167 4.780 -1.489 1.00 0.00 C ATOM 400 C PRO A 27 -5.974 4.804 -0.195 1.00 0.00 C ATOM 401 O PRO A 27 -5.395 4.875 0.883 1.00 0.00 O ATOM 402 CB PRO A 27 -4.918 6.203 -1.997 1.00 0.00 C ATOM 403 CG PRO A 27 -5.958 6.423 -3.089 1.00 0.00 C ATOM 404 CD PRO A 27 -6.236 5.027 -3.632 1.00 0.00 C ATOM 0 HA PRO A 27 -4.239 4.259 -1.252 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.028 6.933 -1.195 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.906 6.310 -2.389 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.863 6.882 -2.690 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.582 7.085 -3.869 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.283 4.920 -3.914 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.643 4.831 -4.526 1.00 0.00 H new ATOM 412 N ASP A 28 -7.301 4.744 -0.300 1.00 0.00 N ATOM 413 CA ASP A 28 -8.184 4.811 0.854 1.00 0.00 C ATOM 414 C ASP A 28 -8.032 3.581 1.752 1.00 0.00 C ATOM 415 O ASP A 28 -7.883 3.703 2.973 1.00 0.00 O ATOM 416 CB ASP A 28 -9.617 4.874 0.334 1.00 0.00 C ATOM 417 CG ASP A 28 -9.892 6.186 -0.399 1.00 0.00 C ATOM 418 OD1 ASP A 28 -10.167 7.187 0.303 1.00 0.00 O ATOM 419 OD2 ASP A 28 -9.822 6.174 -1.648 1.00 0.00 O ATOM 0 H ASP A 28 -7.790 4.648 -1.190 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.931 5.689 1.448 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.798 4.036 -0.339 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.312 4.769 1.167 1.00 0.00 H new ATOM 424 N THR A 29 -8.065 2.390 1.145 1.00 0.00 N ATOM 425 CA THR A 29 -7.968 1.153 1.900 1.00 0.00 C ATOM 426 C THR A 29 -6.581 1.068 2.501 1.00 0.00 C ATOM 427 O THR A 29 -6.431 0.704 3.661 1.00 0.00 O ATOM 428 CB THR A 29 -8.192 -0.043 0.984 1.00 0.00 C ATOM 429 OG1 THR A 29 -9.382 0.135 0.245 1.00 0.00 O ATOM 430 CG2 THR A 29 -8.313 -1.337 1.784 1.00 0.00 C ATOM 0 H THR A 29 -8.158 2.265 0.137 1.00 0.00 H new ATOM 0 HA THR A 29 -8.727 1.142 2.683 1.00 0.00 H new ATOM 0 HB THR A 29 -7.333 -0.113 0.317 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.169 0.191 -0.710 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.472 -2.173 1.102 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.397 -1.501 2.351 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.156 -1.263 2.470 1.00 0.00 H new ATOM 437 N LEU A 30 -5.565 1.413 1.705 1.00 0.00 N ATOM 438 CA LEU A 30 -4.195 1.384 2.173 1.00 0.00 C ATOM 439 C LEU A 30 -4.023 2.344 3.342 1.00 0.00 C ATOM 440 O LEU A 30 -3.217 2.085 4.231 1.00 0.00 O ATOM 441 CB LEU A 30 -3.269 1.814 1.041 1.00 0.00 C ATOM 442 CG LEU A 30 -3.297 0.835 -0.128 1.00 0.00 C ATOM 443 CD1 LEU A 30 -2.695 1.522 -1.350 1.00 0.00 C ATOM 444 CD2 LEU A 30 -2.493 -0.416 0.212 1.00 0.00 C ATOM 0 H LEU A 30 -5.675 1.714 0.737 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.950 0.372 2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.561 2.804 0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.250 1.897 1.419 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.325 0.537 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.707 0.835 -2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.280 2.409 -1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.667 1.813 -1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.521 -1.107 -0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.460 -0.139 0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.923 -0.897 1.090 1.00 0.00 H new ATOM 456 N ARG A 31 -4.770 3.452 3.360 1.00 0.00 N ATOM 457 CA ARG A 31 -4.613 4.451 4.400 1.00 0.00 C ATOM 458 C ARG A 31 -4.892 3.837 5.760 1.00 0.00 C ATOM 459 O ARG A 31 -4.043 3.877 6.645 1.00 0.00 O ATOM 460 CB ARG A 31 -5.569 5.621 4.141 1.00 0.00 C ATOM 461 CG ARG A 31 -5.039 6.955 4.672 1.00 0.00 C ATOM 462 CD ARG A 31 -4.501 6.866 6.097 1.00 0.00 C ATOM 463 NE ARG A 31 -4.133 8.194 6.607 1.00 0.00 N ATOM 464 CZ ARG A 31 -4.947 8.988 7.311 1.00 0.00 C ATOM 465 NH1 ARG A 31 -6.187 8.618 7.594 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.513 10.173 7.735 1.00 0.00 N ATOM 0 H ARG A 31 -5.484 3.672 2.666 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.588 4.820 4.389 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.746 5.708 3.069 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.531 5.407 4.607 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.247 7.311 4.014 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.839 7.695 4.638 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.254 6.420 6.746 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.631 6.210 6.120 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.192 8.534 6.411 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.535 7.714 7.274 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.794 9.237 8.132 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.562 10.473 7.523 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.132 10.780 8.272 1.00 0.00 H new ATOM 480 N ARG A 32 -6.085 3.262 5.930 1.00 0.00 N ATOM 481 CA ARG A 32 -6.490 2.682 7.209 1.00 0.00 C ATOM 482 C ARG A 32 -5.920 1.280 7.426 1.00 0.00 C ATOM 483 O ARG A 32 -6.081 0.717 8.505 1.00 0.00 O ATOM 484 CB ARG A 32 -8.016 2.684 7.271 1.00 0.00 C ATOM 485 CG ARG A 32 -8.602 1.786 6.174 1.00 0.00 C ATOM 486 CD ARG A 32 -9.873 2.406 5.599 1.00 0.00 C ATOM 487 NE ARG A 32 -10.924 2.539 6.612 1.00 0.00 N ATOM 488 CZ ARG A 32 -12.101 3.128 6.387 1.00 0.00 C ATOM 489 NH1 ARG A 32 -12.400 3.634 5.193 1.00 0.00 N ATOM 490 NH2 ARG A 32 -12.997 3.210 7.368 1.00 0.00 N ATOM 0 H ARG A 32 -6.788 3.186 5.195 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.082 3.288 8.018 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.346 2.335 8.249 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.389 3.701 7.153 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.868 1.645 5.381 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.824 0.800 6.583 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.642 3.387 5.184 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.237 1.790 4.777 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.746 2.160 7.542 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.725 3.576 4.431 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.304 4.080 5.040 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.783 2.824 8.288 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.897 3.659 7.200 1.00 0.00 H new ATOM 504 N VAL A 33 -5.256 0.723 6.412 1.00 0.00 N ATOM 505 CA VAL A 33 -4.578 -0.567 6.517 1.00 0.00 C ATOM 506 C VAL A 33 -3.129 -0.387 6.956 1.00 0.00 C ATOM 507 O VAL A 33 -2.492 -1.347 7.389 1.00 0.00 O ATOM 508 CB VAL A 33 -4.640 -1.259 5.155 1.00 0.00 C ATOM 509 CG1 VAL A 33 -3.601 -2.367 5.001 1.00 0.00 C ATOM 510 CG2 VAL A 33 -6.017 -1.895 4.999 1.00 0.00 C ATOM 0 H VAL A 33 -5.174 1.156 5.492 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.075 -1.179 7.270 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.440 -0.500 4.399 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.695 -2.820 4.014 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.602 -1.947 5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.763 -3.127 5.766 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.080 -2.394 4.032 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.173 -2.624 5.794 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.784 -1.122 5.059 1.00 0.00 H new ATOM 520 N PHE A 34 -2.599 0.831 6.853 1.00 0.00 N ATOM 521 CA PHE A 34 -1.208 1.095 7.179 1.00 0.00 C ATOM 522 C PHE A 34 -1.089 2.130 8.287 1.00 0.00 C ATOM 523 O PHE A 34 -0.222 2.004 9.148 1.00 0.00 O ATOM 524 CB PHE A 34 -0.499 1.567 5.913 1.00 0.00 C ATOM 525 CG PHE A 34 0.031 0.439 5.073 1.00 0.00 C ATOM 526 CD1 PHE A 34 1.212 -0.201 5.460 1.00 0.00 C ATOM 527 CD2 PHE A 34 -0.643 0.037 3.916 1.00 0.00 C ATOM 528 CE1 PHE A 34 1.716 -1.263 4.695 1.00 0.00 C ATOM 529 CE2 PHE A 34 -0.136 -1.014 3.144 1.00 0.00 C ATOM 530 CZ PHE A 34 1.042 -1.670 3.535 1.00 0.00 C ATOM 0 H PHE A 34 -3.120 1.652 6.544 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.740 0.182 7.547 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.192 2.160 5.317 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.326 2.223 6.190 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.736 0.122 6.347 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.553 0.537 3.619 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.622 -1.766 4.999 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.652 -1.321 2.246 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.428 -2.487 2.943 1.00 0.00 H new ATOM 540 N GLU A 35 -1.942 3.153 8.285 1.00 0.00 N ATOM 541 CA GLU A 35 -1.855 4.152 9.336 1.00 0.00 C ATOM 542 C GLU A 35 -2.254 3.546 10.678 1.00 0.00 C ATOM 543 O GLU A 35 -1.952 4.105 11.726 1.00 0.00 O ATOM 544 CB GLU A 35 -2.711 5.379 9.003 1.00 0.00 C ATOM 545 CG GLU A 35 -4.189 5.235 9.372 1.00 0.00 C ATOM 546 CD GLU A 35 -4.460 5.550 10.847 1.00 0.00 C ATOM 547 OE1 GLU A 35 -3.968 6.598 11.314 1.00 0.00 O ATOM 548 OE2 GLU A 35 -5.156 4.738 11.492 1.00 0.00 O ATOM 0 H GLU A 35 -2.675 3.306 7.592 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.820 4.486 9.408 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.302 6.245 9.523 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.633 5.582 7.935 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.783 5.902 8.747 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.517 4.218 9.155 1.00 0.00 H new ATOM 555 N LYS A 36 -2.936 2.396 10.630 1.00 0.00 N ATOM 556 CA LYS A 36 -3.437 1.731 11.815 1.00 0.00 C ATOM 557 C LYS A 36 -2.310 1.358 12.766 1.00 0.00 C ATOM 558 O LYS A 36 -2.506 1.351 13.978 1.00 0.00 O ATOM 559 CB LYS A 36 -4.213 0.483 11.396 1.00 0.00 C ATOM 560 CG LYS A 36 -3.301 -0.560 10.740 1.00 0.00 C ATOM 561 CD LYS A 36 -4.081 -1.695 10.084 1.00 0.00 C ATOM 562 CE LYS A 36 -5.164 -2.244 11.007 1.00 0.00 C ATOM 563 NZ LYS A 36 -5.767 -3.470 10.451 1.00 0.00 N ATOM 0 H LYS A 36 -3.151 1.908 9.761 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.096 2.417 12.347 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.697 0.045 12.269 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.004 0.763 10.700 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.678 -0.072 9.990 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.629 -0.974 11.492 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.537 -1.337 9.161 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.395 -2.497 9.811 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.737 -2.458 11.987 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.937 -1.490 11.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.500 -3.821 11.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.195 -3.258 9.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.032 -4.196 10.334 1.00 0.00 H new ATOM 577 N TYR A 37 -1.134 1.048 12.215 1.00 0.00 N ATOM 578 CA TYR A 37 0.009 0.691 13.028 1.00 0.00 C ATOM 579 C TYR A 37 0.635 1.921 13.680 1.00 0.00 C ATOM 580 O TYR A 37 1.339 1.800 14.681 1.00 0.00 O ATOM 581 CB TYR A 37 1.041 -0.024 12.164 1.00 0.00 C ATOM 582 CG TYR A 37 0.505 -1.310 11.581 1.00 0.00 C ATOM 583 CD1 TYR A 37 0.577 -2.490 12.333 1.00 0.00 C ATOM 584 CD2 TYR A 37 -0.070 -1.324 10.304 1.00 0.00 C ATOM 585 CE1 TYR A 37 0.068 -3.687 11.816 1.00 0.00 C ATOM 586 CE2 TYR A 37 -0.575 -2.517 9.774 1.00 0.00 C ATOM 587 CZ TYR A 37 -0.513 -3.704 10.530 1.00 0.00 C ATOM 588 OH TYR A 37 -1.023 -4.860 10.023 1.00 0.00 O ATOM 0 H TYR A 37 -0.958 1.040 11.210 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.329 0.028 13.825 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.355 0.636 11.356 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.926 -0.240 12.762 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.027 -2.476 13.315 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.124 -0.413 9.727 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.120 -4.594 12.399 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.012 -2.527 8.786 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.326 -5.334 9.524 1.00 0.00 H new ATOM 598 N GLY A 38 0.381 3.105 13.116 1.00 0.00 N ATOM 599 CA GLY A 38 0.841 4.354 13.699 1.00 0.00 C ATOM 600 C GLY A 38 0.288 5.557 12.947 1.00 0.00 C ATOM 601 O GLY A 38 -0.518 6.306 13.498 1.00 0.00 O ATOM 0 H GLY A 38 -0.145 3.218 12.250 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.534 4.404 14.744 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.930 4.384 13.685 1.00 0.00 H new ATOM 605 N ARG A 39 0.715 5.743 11.695 1.00 0.00 N ATOM 606 CA ARG A 39 0.222 6.823 10.853 1.00 0.00 C ATOM 607 C ARG A 39 0.683 6.630 9.417 1.00 0.00 C ATOM 608 O ARG A 39 1.544 5.798 9.144 1.00 0.00 O ATOM 609 CB ARG A 39 0.753 8.161 11.379 1.00 0.00 C ATOM 610 CG ARG A 39 -0.167 9.341 11.065 1.00 0.00 C ATOM 611 CD ARG A 39 -1.520 9.152 11.744 1.00 0.00 C ATOM 612 NE ARG A 39 -2.328 10.378 11.666 1.00 0.00 N ATOM 613 CZ ARG A 39 -3.662 10.409 11.697 1.00 0.00 C ATOM 614 NH1 ARG A 39 -4.378 9.293 11.782 1.00 0.00 N ATOM 615 NH2 ARG A 39 -4.289 11.580 11.642 1.00 0.00 N ATOM 0 H ARG A 39 1.410 5.149 11.243 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.868 6.819 10.878 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.888 8.092 12.458 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.735 8.350 10.946 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.292 10.269 11.405 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.302 9.429 9.987 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.056 8.329 11.271 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.371 8.877 12.788 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.835 11.267 11.582 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.909 8.388 11.825 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.397 9.341 11.804 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.751 12.444 11.577 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.308 11.614 11.665 1.00 0.00 H new ATOM 629 N VAL A 40 0.101 7.412 8.510 1.00 0.00 N ATOM 630 CA VAL A 40 0.467 7.417 7.104 1.00 0.00 C ATOM 631 C VAL A 40 0.703 8.860 6.678 1.00 0.00 C ATOM 632 O VAL A 40 -0.239 9.602 6.398 1.00 0.00 O ATOM 633 CB VAL A 40 -0.632 6.745 6.277 1.00 0.00 C ATOM 634 CG1 VAL A 40 -0.466 6.990 4.787 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.581 5.234 6.434 1.00 0.00 C ATOM 0 H VAL A 40 -0.647 8.067 8.739 1.00 0.00 H new ATOM 0 HA VAL A 40 1.383 6.849 6.938 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.566 7.172 6.643 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.270 6.493 4.245 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.502 8.061 4.588 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.494 6.592 4.458 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.372 4.779 5.837 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.387 4.865 6.095 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.722 4.972 7.483 1.00 0.00 H new ATOM 645 N GLY A 41 1.980 9.243 6.634 1.00 0.00 N ATOM 646 CA GLY A 41 2.400 10.570 6.208 1.00 0.00 C ATOM 647 C GLY A 41 1.975 10.882 4.778 1.00 0.00 C ATOM 648 O GLY A 41 1.761 12.046 4.444 1.00 0.00 O ATOM 0 H GLY A 41 2.754 8.633 6.896 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.977 11.316 6.881 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.484 10.648 6.287 1.00 0.00 H new ATOM 652 N ASP A 42 1.851 9.852 3.935 1.00 0.00 N ATOM 653 CA ASP A 42 1.470 9.990 2.536 1.00 0.00 C ATOM 654 C ASP A 42 0.891 8.671 2.038 1.00 0.00 C ATOM 655 O ASP A 42 1.351 7.601 2.429 1.00 0.00 O ATOM 656 CB ASP A 42 2.715 10.308 1.704 1.00 0.00 C ATOM 657 CG ASP A 42 3.096 11.781 1.758 1.00 0.00 C ATOM 658 OD1 ASP A 42 2.243 12.612 1.371 1.00 0.00 O ATOM 659 OD2 ASP A 42 4.239 12.069 2.182 1.00 0.00 O ATOM 0 H ASP A 42 2.016 8.885 4.216 1.00 0.00 H new ATOM 0 HA ASP A 42 0.733 10.788 2.440 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.551 9.707 2.063 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.538 10.020 0.668 1.00 0.00 H new ATOM 664 N VAL A 43 -0.117 8.736 1.168 1.00 0.00 N ATOM 665 CA VAL A 43 -0.697 7.544 0.571 1.00 0.00 C ATOM 666 C VAL A 43 -1.207 7.914 -0.820 1.00 0.00 C ATOM 667 O VAL A 43 -2.117 8.734 -0.959 1.00 0.00 O ATOM 668 CB VAL A 43 -1.782 6.976 1.508 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.211 7.384 1.173 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.708 5.456 1.604 1.00 0.00 C ATOM 0 H VAL A 43 -0.547 9.609 0.863 1.00 0.00 H new ATOM 0 HA VAL A 43 0.036 6.747 0.448 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.548 7.430 2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.896 6.932 1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.300 8.469 1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.461 7.042 0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.489 5.095 2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.849 5.022 0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.733 5.163 1.993 1.00 0.00 H new ATOM 680 N TYR A 44 -0.622 7.322 -1.862 1.00 0.00 N ATOM 681 CA TYR A 44 -1.095 7.573 -3.219 1.00 0.00 C ATOM 682 C TYR A 44 -0.764 6.414 -4.147 1.00 0.00 C ATOM 683 O TYR A 44 0.025 5.536 -3.800 1.00 0.00 O ATOM 684 CB TYR A 44 -0.509 8.886 -3.754 1.00 0.00 C ATOM 685 CG TYR A 44 0.844 8.761 -4.416 1.00 0.00 C ATOM 686 CD1 TYR A 44 0.906 8.484 -5.787 1.00 0.00 C ATOM 687 CD2 TYR A 44 2.024 8.925 -3.679 1.00 0.00 C ATOM 688 CE1 TYR A 44 2.143 8.382 -6.434 1.00 0.00 C ATOM 689 CE2 TYR A 44 3.271 8.834 -4.320 1.00 0.00 C ATOM 690 CZ TYR A 44 3.334 8.562 -5.698 1.00 0.00 C ATOM 691 OH TYR A 44 4.545 8.474 -6.315 1.00 0.00 O ATOM 0 H TYR A 44 0.165 6.677 -1.793 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.181 7.665 -3.185 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.210 9.313 -4.472 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.428 9.593 -2.928 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.006 8.348 -6.349 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.975 9.121 -2.618 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.186 8.167 -7.491 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.181 8.973 -3.755 1.00 0.00 H new ATOM 0 HH TYR A 44 4.986 7.639 -6.052 1.00 0.00 H new ATOM 701 N ILE A 45 -1.373 6.419 -5.336 1.00 0.00 N ATOM 702 CA ILE A 45 -1.184 5.382 -6.335 1.00 0.00 C ATOM 703 C ILE A 45 -0.715 6.039 -7.645 1.00 0.00 C ATOM 704 O ILE A 45 -1.463 6.811 -8.245 1.00 0.00 O ATOM 705 CB ILE A 45 -2.491 4.597 -6.534 1.00 0.00 C ATOM 706 CG1 ILE A 45 -2.794 3.577 -5.434 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.405 3.781 -7.820 1.00 0.00 C ATOM 708 CD1 ILE A 45 -3.012 4.201 -4.059 1.00 0.00 C ATOM 0 H ILE A 45 -2.017 7.154 -5.628 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.424 4.673 -6.006 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.271 5.358 -6.540 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.683 3.011 -5.711 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.970 2.866 -5.374 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.332 3.225 -7.961 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.252 4.451 -8.666 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.570 3.084 -7.753 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.222 3.416 -3.332 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.115 4.743 -3.759 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.855 4.890 -4.102 1.00 0.00 H new ATOM 720 N PRO A 46 0.515 5.741 -8.089 1.00 0.00 N ATOM 721 CA PRO A 46 1.117 6.228 -9.328 1.00 0.00 C ATOM 722 C PRO A 46 0.506 5.580 -10.576 1.00 0.00 C ATOM 723 O PRO A 46 1.216 5.312 -11.545 1.00 0.00 O ATOM 724 CB PRO A 46 2.604 5.912 -9.199 1.00 0.00 C ATOM 725 CG PRO A 46 2.623 4.681 -8.305 1.00 0.00 C ATOM 726 CD PRO A 46 1.443 4.891 -7.372 1.00 0.00 C ATOM 0 HA PRO A 46 0.935 7.295 -9.459 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.058 5.712 -10.169 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.154 6.741 -8.754 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.516 3.764 -8.885 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.560 4.602 -7.753 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.979 3.940 -7.110 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.761 5.359 -6.440 1.00 0.00 H new ATOM 900 N GLY A 56 -0.343 -1.247 -11.122 1.00 0.00 N ATOM 901 CA GLY A 56 -0.218 -2.476 -10.345 1.00 0.00 C ATOM 902 C GLY A 56 0.492 -2.263 -9.009 1.00 0.00 C ATOM 903 O GLY A 56 0.792 -3.236 -8.319 1.00 0.00 O ATOM 0 HA2 GLY A 56 -1.211 -2.887 -10.162 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.330 -3.215 -10.929 1.00 0.00 H new ATOM 907 N PHE A 57 0.765 -1.010 -8.631 1.00 0.00 N ATOM 908 CA PHE A 57 1.454 -0.699 -7.382 1.00 0.00 C ATOM 909 C PHE A 57 1.022 0.663 -6.854 1.00 0.00 C ATOM 910 O PHE A 57 0.521 1.506 -7.601 1.00 0.00 O ATOM 911 CB PHE A 57 2.962 -0.733 -7.608 1.00 0.00 C ATOM 912 CG PHE A 57 3.529 0.457 -8.349 1.00 0.00 C ATOM 913 CD1 PHE A 57 3.259 0.648 -9.714 1.00 0.00 C ATOM 914 CD2 PHE A 57 4.334 1.373 -7.660 1.00 0.00 C ATOM 915 CE1 PHE A 57 3.804 1.754 -10.385 1.00 0.00 C ATOM 916 CE2 PHE A 57 4.888 2.476 -8.334 1.00 0.00 C ATOM 917 CZ PHE A 57 4.609 2.670 -9.696 1.00 0.00 C ATOM 0 H PHE A 57 0.514 -0.189 -9.182 1.00 0.00 H new ATOM 0 HA PHE A 57 1.189 -1.448 -6.635 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.457 -0.807 -6.640 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.210 -1.638 -8.163 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.634 -0.054 -10.246 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.530 1.232 -6.607 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.602 1.899 -11.436 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.525 3.170 -7.806 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.016 3.527 -10.213 1.00 0.00 H new ATOM 927 N ALA A 58 1.226 0.859 -5.551 1.00 0.00 N ATOM 928 CA ALA A 58 0.888 2.082 -4.854 1.00 0.00 C ATOM 929 C ALA A 58 2.172 2.751 -4.389 1.00 0.00 C ATOM 930 O ALA A 58 3.258 2.454 -4.880 1.00 0.00 O ATOM 931 CB ALA A 58 -0.019 1.753 -3.668 1.00 0.00 C ATOM 0 H ALA A 58 1.640 0.151 -4.945 1.00 0.00 H new ATOM 0 HA ALA A 58 0.354 2.765 -5.515 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.276 2.672 -3.140 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.930 1.275 -4.028 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.501 1.078 -2.989 1.00 0.00 H new ATOM 937 N PHE A 59 2.034 3.660 -3.431 1.00 0.00 N ATOM 938 CA PHE A 59 3.141 4.388 -2.852 1.00 0.00 C ATOM 939 C PHE A 59 2.675 4.937 -1.527 1.00 0.00 C ATOM 940 O PHE A 59 2.549 6.147 -1.348 1.00 0.00 O ATOM 941 CB PHE A 59 3.581 5.479 -3.830 1.00 0.00 C ATOM 942 CG PHE A 59 5.076 5.656 -3.966 1.00 0.00 C ATOM 943 CD1 PHE A 59 5.888 5.904 -2.848 1.00 0.00 C ATOM 944 CD2 PHE A 59 5.653 5.575 -5.242 1.00 0.00 C ATOM 945 CE1 PHE A 59 7.271 6.087 -3.013 1.00 0.00 C ATOM 946 CE2 PHE A 59 7.032 5.748 -5.405 1.00 0.00 C ATOM 947 CZ PHE A 59 7.840 6.011 -4.293 1.00 0.00 C ATOM 0 H PHE A 59 1.130 3.912 -3.032 1.00 0.00 H new ATOM 0 HA PHE A 59 4.010 3.755 -2.674 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.167 5.252 -4.813 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.146 6.427 -3.512 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.450 5.954 -1.862 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.030 5.378 -6.102 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.896 6.286 -2.155 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.473 5.679 -6.389 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.903 6.156 -4.420 1.00 0.00 H new ATOM 957 N VAL A 60 2.413 4.032 -0.580 1.00 0.00 N ATOM 958 CA VAL A 60 2.194 4.585 0.748 1.00 0.00 C ATOM 959 C VAL A 60 3.563 4.988 1.260 1.00 0.00 C ATOM 960 O VAL A 60 4.509 4.221 1.107 1.00 0.00 O ATOM 961 CB VAL A 60 1.470 3.676 1.740 1.00 0.00 C ATOM 962 CG1 VAL A 60 0.428 2.750 1.111 1.00 0.00 C ATOM 963 CG2 VAL A 60 2.382 2.975 2.748 1.00 0.00 C ATOM 0 H VAL A 60 2.352 3.020 -0.688 1.00 0.00 H new ATOM 0 HA VAL A 60 1.506 5.426 0.660 1.00 0.00 H new ATOM 0 HB VAL A 60 0.889 4.377 2.340 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.035 2.142 1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.336 3.347 0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.912 2.100 0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.781 2.352 3.411 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.101 2.351 2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.915 3.721 3.337 1.00 0.00 H new ATOM 973 N ARG A 61 3.668 6.175 1.857 1.00 0.00 N ATOM 974 CA ARG A 61 4.921 6.652 2.404 1.00 0.00 C ATOM 975 C ARG A 61 4.730 7.125 3.818 1.00 0.00 C ATOM 976 O ARG A 61 3.808 7.863 4.151 1.00 0.00 O ATOM 977 CB ARG A 61 5.541 7.696 1.484 1.00 0.00 C ATOM 978 CG ARG A 61 6.451 8.663 2.242 1.00 0.00 C ATOM 979 CD ARG A 61 7.107 9.617 1.250 1.00 0.00 C ATOM 980 NE ARG A 61 6.128 10.562 0.697 1.00 0.00 N ATOM 981 CZ ARG A 61 5.903 10.755 -0.606 1.00 0.00 C ATOM 982 NH1 ARG A 61 6.549 10.052 -1.531 1.00 0.00 N ATOM 983 NH2 ARG A 61 5.019 11.670 -0.993 1.00 0.00 N ATOM 0 H ARG A 61 2.888 6.823 1.971 1.00 0.00 H new ATOM 0 HA ARG A 61 5.637 5.832 2.454 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.114 7.196 0.703 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.749 8.257 0.988 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.874 9.224 2.977 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.213 8.109 2.791 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.908 10.167 1.745 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.564 9.047 0.441 1.00 0.00 H new ATOM 0 HE ARG A 61 5.579 11.112 1.357 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.233 9.348 -1.252 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.361 10.216 -2.520 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.517 12.220 -0.297 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.843 11.821 -1.986 1.00 0.00 H new ATOM 997 N PHE A 62 5.666 6.660 4.640 1.00 0.00 N ATOM 998 CA PHE A 62 5.636 6.970 6.059 1.00 0.00 C ATOM 999 C PHE A 62 6.669 8.040 6.351 1.00 0.00 C ATOM 1000 O PHE A 62 7.690 8.106 5.675 1.00 0.00 O ATOM 1001 CB PHE A 62 5.879 5.716 6.889 1.00 0.00 C ATOM 1002 CG PHE A 62 4.643 4.861 7.055 1.00 0.00 C ATOM 1003 CD1 PHE A 62 3.722 4.697 6.006 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.410 4.247 8.292 1.00 0.00 C ATOM 1005 CE1 PHE A 62 2.554 3.946 6.194 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.260 3.478 8.478 1.00 0.00 C ATOM 1007 CZ PHE A 62 2.337 3.333 7.438 1.00 0.00 C ATOM 0 H PHE A 62 6.447 6.072 4.348 1.00 0.00 H new ATOM 0 HA PHE A 62 4.651 7.348 6.332 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.662 5.123 6.418 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.247 6.006 7.873 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.916 5.154 5.047 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.117 4.368 9.099 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.834 3.841 5.396 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.083 2.994 9.427 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.446 2.742 7.594 1.00 0.00 H new ATOM 1017 N HIS A 63 6.370 8.851 7.368 1.00 0.00 N ATOM 1018 CA HIS A 63 7.178 9.974 7.815 1.00 0.00 C ATOM 1019 C HIS A 63 8.086 9.570 8.979 1.00 0.00 C ATOM 1020 O HIS A 63 8.906 10.366 9.434 1.00 0.00 O ATOM 1021 CB HIS A 63 6.219 11.088 8.262 1.00 0.00 C ATOM 1022 CG HIS A 63 5.186 10.572 9.235 1.00 0.00 C ATOM 1023 ND1 HIS A 63 5.399 9.533 10.142 1.00 0.00 N ATOM 1024 CD2 HIS A 63 3.902 11.016 9.365 1.00 0.00 C ATOM 1025 CE1 HIS A 63 4.241 9.373 10.796 1.00 0.00 C ATOM 1026 NE2 HIS A 63 3.327 10.260 10.358 1.00 0.00 N ATOM 0 H HIS A 63 5.522 8.733 7.922 1.00 0.00 H new ATOM 0 HA HIS A 63 7.819 10.314 7.002 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.787 11.894 8.726 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.720 11.511 7.390 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.431 11.806 8.799 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.065 8.636 11.566 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.372 10.354 10.704 1.00 0.00 H new ATOM 1034 N ASP A 64 7.936 8.332 9.462 1.00 0.00 N ATOM 1035 CA ASP A 64 8.671 7.815 10.602 1.00 0.00 C ATOM 1036 C ASP A 64 8.891 6.318 10.401 1.00 0.00 C ATOM 1037 O ASP A 64 7.929 5.553 10.319 1.00 0.00 O ATOM 1038 CB ASP A 64 7.872 8.095 11.877 1.00 0.00 C ATOM 1039 CG ASP A 64 8.653 7.745 13.143 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.576 6.908 13.051 1.00 0.00 O ATOM 1041 OD2 ASP A 64 8.316 8.319 14.202 1.00 0.00 O ATOM 0 H ASP A 64 7.287 7.656 9.059 1.00 0.00 H new ATOM 0 HA ASP A 64 9.643 8.300 10.694 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.594 9.149 11.904 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.945 7.522 11.855 1.00 0.00 H new ATOM 1046 N LYS A 65 10.158 5.899 10.325 1.00 0.00 N ATOM 1047 CA LYS A 65 10.499 4.503 10.106 1.00 0.00 C ATOM 1048 C LYS A 65 9.960 3.584 11.195 1.00 0.00 C ATOM 1049 O LYS A 65 9.771 2.401 10.933 1.00 0.00 O ATOM 1050 CB LYS A 65 12.013 4.350 9.984 1.00 0.00 C ATOM 1051 CG LYS A 65 12.712 4.659 11.310 1.00 0.00 C ATOM 1052 CD LYS A 65 14.226 4.731 11.119 1.00 0.00 C ATOM 1053 CE LYS A 65 14.744 3.433 10.509 1.00 0.00 C ATOM 1054 NZ LYS A 65 16.203 3.497 10.294 1.00 0.00 N ATOM 0 H LYS A 65 10.965 6.517 10.414 1.00 0.00 H new ATOM 0 HA LYS A 65 10.021 4.199 9.175 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.254 3.334 9.672 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.387 5.019 9.209 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.345 5.605 11.708 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.469 3.889 12.043 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.478 5.571 10.472 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.712 4.910 12.078 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.506 2.597 11.167 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.241 3.246 9.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.532 2.602 9.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.425 4.281 9.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.682 3.652 11.204 1.00 0.00 H new ATOM 1068 N ARG A 66 9.714 4.093 12.409 1.00 0.00 N ATOM 1069 CA ARG A 66 9.236 3.256 13.503 1.00 0.00 C ATOM 1070 C ARG A 66 7.819 2.770 13.215 1.00 0.00 C ATOM 1071 O ARG A 66 7.522 1.582 13.368 1.00 0.00 O ATOM 1072 CB ARG A 66 9.281 4.048 14.810 1.00 0.00 C ATOM 1073 CG ARG A 66 10.698 4.516 15.152 1.00 0.00 C ATOM 1074 CD ARG A 66 11.677 3.346 15.226 1.00 0.00 C ATOM 1075 NE ARG A 66 13.004 3.796 15.662 1.00 0.00 N ATOM 1076 CZ ARG A 66 14.133 3.114 15.434 1.00 0.00 C ATOM 1077 NH1 ARG A 66 14.111 1.969 14.760 1.00 0.00 N ATOM 1078 NH2 ARG A 66 15.291 3.589 15.882 1.00 0.00 N ATOM 0 H ARG A 66 9.839 5.076 12.652 1.00 0.00 H new ATOM 0 HA ARG A 66 9.881 2.383 13.598 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.623 4.913 14.732 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.898 3.429 15.622 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.038 5.228 14.400 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.687 5.042 16.106 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.299 2.594 15.919 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.754 2.869 14.249 1.00 0.00 H new ATOM 0 HE ARG A 66 13.070 4.679 16.168 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.227 1.600 14.410 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.978 1.459 14.593 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.316 4.469 16.397 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.154 3.073 15.711 1.00 0.00 H new ATOM 1092 N ASP A 67 6.941 3.684 12.798 1.00 0.00 N ATOM 1093 CA ASP A 67 5.581 3.318 12.444 1.00 0.00 C ATOM 1094 C ASP A 67 5.603 2.454 11.190 1.00 0.00 C ATOM 1095 O ASP A 67 4.723 1.616 10.996 1.00 0.00 O ATOM 1096 CB ASP A 67 4.744 4.576 12.197 1.00 0.00 C ATOM 1097 CG ASP A 67 4.597 5.424 13.460 1.00 0.00 C ATOM 1098 OD1 ASP A 67 4.437 4.824 14.548 1.00 0.00 O ATOM 1099 OD2 ASP A 67 4.643 6.668 13.330 1.00 0.00 O ATOM 0 H ASP A 67 7.152 4.677 12.700 1.00 0.00 H new ATOM 0 HA ASP A 67 5.133 2.757 13.265 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.209 5.172 11.412 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.756 4.289 11.836 1.00 0.00 H new ATOM 1104 N ALA A 68 6.611 2.652 10.337 1.00 0.00 N ATOM 1105 CA ALA A 68 6.760 1.899 9.111 1.00 0.00 C ATOM 1106 C ALA A 68 7.324 0.502 9.374 1.00 0.00 C ATOM 1107 O ALA A 68 7.012 -0.425 8.632 1.00 0.00 O ATOM 1108 CB ALA A 68 7.696 2.685 8.200 1.00 0.00 C ATOM 0 H ALA A 68 7.345 3.345 10.487 1.00 0.00 H new ATOM 0 HA ALA A 68 5.785 1.763 8.643 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.831 2.144 7.263 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.265 3.665 7.994 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.662 2.809 8.690 1.00 0.00 H new ATOM 1114 N GLU A 69 8.144 0.343 10.414 1.00 0.00 N ATOM 1115 CA GLU A 69 8.720 -0.941 10.765 1.00 0.00 C ATOM 1116 C GLU A 69 7.637 -1.929 11.149 1.00 0.00 C ATOM 1117 O GLU A 69 7.609 -3.044 10.633 1.00 0.00 O ATOM 1118 CB GLU A 69 9.653 -0.783 11.965 1.00 0.00 C ATOM 1119 CG GLU A 69 11.079 -0.470 11.516 1.00 0.00 C ATOM 1120 CD GLU A 69 12.023 -0.421 12.717 1.00 0.00 C ATOM 1121 OE1 GLU A 69 12.122 0.664 13.337 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.641 -1.470 13.005 1.00 0.00 O ATOM 0 H GLU A 69 8.423 1.105 11.032 1.00 0.00 H new ATOM 0 HA GLU A 69 9.267 -1.308 9.896 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.288 0.016 12.610 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.647 -1.698 12.557 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.419 -1.228 10.811 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.099 0.485 10.991 1.00 0.00 H new ATOM 1129 N ASP A 70 6.737 -1.531 12.055 1.00 0.00 N ATOM 1130 CA ASP A 70 5.725 -2.467 12.513 1.00 0.00 C ATOM 1131 C ASP A 70 4.718 -2.763 11.406 1.00 0.00 C ATOM 1132 O ASP A 70 4.316 -3.911 11.219 1.00 0.00 O ATOM 1133 CB ASP A 70 5.019 -1.907 13.743 1.00 0.00 C ATOM 1134 CG ASP A 70 5.991 -1.589 14.880 1.00 0.00 C ATOM 1135 OD1 ASP A 70 6.827 -2.464 15.197 1.00 0.00 O ATOM 1136 OD2 ASP A 70 5.887 -0.468 15.428 1.00 0.00 O ATOM 0 H ASP A 70 6.693 -0.600 12.469 1.00 0.00 H new ATOM 0 HA ASP A 70 6.214 -3.404 12.781 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.478 -1.002 13.467 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.279 -2.627 14.092 1.00 0.00 H new ATOM 1141 N ALA A 71 4.306 -1.731 10.663 1.00 0.00 N ATOM 1142 CA ALA A 71 3.356 -1.909 9.583 1.00 0.00 C ATOM 1143 C ALA A 71 3.928 -2.856 8.531 1.00 0.00 C ATOM 1144 O ALA A 71 3.243 -3.776 8.096 1.00 0.00 O ATOM 1145 CB ALA A 71 3.027 -0.550 8.958 1.00 0.00 C ATOM 0 H ALA A 71 4.620 -0.770 10.796 1.00 0.00 H new ATOM 0 HA ALA A 71 2.440 -2.347 9.979 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.313 -0.686 8.146 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.595 0.104 9.716 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.939 -0.099 8.567 1.00 0.00 H new ATOM 1151 N MET A 72 5.179 -2.642 8.127 1.00 0.00 N ATOM 1152 CA MET A 72 5.851 -3.490 7.146 1.00 0.00 C ATOM 1153 C MET A 72 5.984 -4.917 7.672 1.00 0.00 C ATOM 1154 O MET A 72 5.728 -5.872 6.941 1.00 0.00 O ATOM 1155 CB MET A 72 7.225 -2.873 6.880 1.00 0.00 C ATOM 1156 CG MET A 72 8.151 -3.789 6.083 1.00 0.00 C ATOM 1157 SD MET A 72 9.529 -2.921 5.290 1.00 0.00 S ATOM 1158 CE MET A 72 9.970 -1.768 6.612 1.00 0.00 C ATOM 0 H MET A 72 5.755 -1.874 8.472 1.00 0.00 H new ATOM 0 HA MET A 72 5.275 -3.544 6.222 1.00 0.00 H new ATOM 0 HB2 MET A 72 7.097 -1.936 6.338 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.697 -2.629 7.832 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.550 -4.555 6.748 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.569 -4.303 5.318 1.00 0.00 H new ATOM 0 HE1 MET A 72 10.960 -1.355 6.420 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.240 -0.959 6.647 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.975 -2.294 7.567 1.00 0.00 H new ATOM 1168 N ASP A 73 6.378 -5.054 8.941 1.00 0.00 N ATOM 1169 CA ASP A 73 6.503 -6.350 9.584 1.00 0.00 C ATOM 1170 C ASP A 73 5.139 -7.026 9.747 1.00 0.00 C ATOM 1171 O ASP A 73 5.067 -8.186 10.154 1.00 0.00 O ATOM 1172 CB ASP A 73 7.194 -6.170 10.937 1.00 0.00 C ATOM 1173 CG ASP A 73 7.439 -7.506 11.642 1.00 0.00 C ATOM 1174 OD1 ASP A 73 8.139 -8.354 11.047 1.00 0.00 O ATOM 1175 OD2 ASP A 73 6.924 -7.669 12.773 1.00 0.00 O ATOM 0 H ASP A 73 6.617 -4.267 9.544 1.00 0.00 H new ATOM 0 HA ASP A 73 7.107 -7.003 8.954 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.145 -5.658 10.792 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.582 -5.532 11.574 1.00 0.00 H new ATOM 1180 N ALA A 74 4.057 -6.305 9.435 1.00 0.00 N ATOM 1181 CA ALA A 74 2.706 -6.828 9.557 1.00 0.00 C ATOM 1182 C ALA A 74 1.895 -6.666 8.267 1.00 0.00 C ATOM 1183 O ALA A 74 0.695 -6.935 8.270 1.00 0.00 O ATOM 1184 CB ALA A 74 2.038 -6.104 10.728 1.00 0.00 C ATOM 0 H ALA A 74 4.100 -5.345 9.092 1.00 0.00 H new ATOM 0 HA ALA A 74 2.748 -7.902 9.741 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.019 -6.472 10.850 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.603 -6.291 11.641 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.015 -5.033 10.528 1.00 0.00 H new ATOM 1190 N MET A 75 2.525 -6.237 7.165 1.00 0.00 N ATOM 1191 CA MET A 75 1.814 -6.007 5.914 1.00 0.00 C ATOM 1192 C MET A 75 2.529 -6.553 4.676 1.00 0.00 C ATOM 1193 O MET A 75 1.884 -6.713 3.644 1.00 0.00 O ATOM 1194 CB MET A 75 1.587 -4.508 5.720 1.00 0.00 C ATOM 1195 CG MET A 75 0.453 -3.986 6.601 1.00 0.00 C ATOM 1196 SD MET A 75 -1.155 -4.757 6.272 1.00 0.00 S ATOM 1197 CE MET A 75 -1.188 -4.582 4.469 1.00 0.00 C ATOM 0 H MET A 75 3.526 -6.044 7.121 1.00 0.00 H new ATOM 0 HA MET A 75 0.873 -6.550 6.004 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.505 -3.969 5.952 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.356 -4.308 4.674 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.715 -4.149 7.646 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.363 -2.909 6.459 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.180 -4.839 4.097 1.00 0.00 H new ATOM 0 HE2 MET A 75 -0.955 -3.552 4.199 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.450 -5.250 4.025 1.00 0.00 H new ATOM 1207 N ASP A 76 3.831 -6.847 4.733 1.00 0.00 N ATOM 1208 CA ASP A 76 4.512 -7.385 3.562 1.00 0.00 C ATOM 1209 C ASP A 76 3.979 -8.779 3.216 1.00 0.00 C ATOM 1210 O ASP A 76 4.156 -9.722 3.985 1.00 0.00 O ATOM 1211 CB ASP A 76 6.021 -7.420 3.803 1.00 0.00 C ATOM 1212 CG ASP A 76 6.755 -7.816 2.525 1.00 0.00 C ATOM 1213 OD1 ASP A 76 6.636 -7.054 1.536 1.00 0.00 O ATOM 1214 OD2 ASP A 76 7.426 -8.870 2.542 1.00 0.00 O ATOM 0 H ASP A 76 4.419 -6.724 5.557 1.00 0.00 H new ATOM 0 HA ASP A 76 4.313 -6.733 2.712 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.365 -6.442 4.139 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.252 -8.129 4.598 1.00 0.00 H new ATOM 1219 N GLY A 77 3.330 -8.907 2.057 1.00 0.00 N ATOM 1220 CA GLY A 77 2.742 -10.162 1.600 1.00 0.00 C ATOM 1221 C GLY A 77 1.551 -10.562 2.468 1.00 0.00 C ATOM 1222 O GLY A 77 1.304 -11.748 2.680 1.00 0.00 O ATOM 0 H GLY A 77 3.198 -8.134 1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.422 -10.060 0.563 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.495 -10.950 1.625 1.00 0.00 H new ATOM 1226 N ALA A 78 0.826 -9.566 2.976 1.00 0.00 N ATOM 1227 CA ALA A 78 -0.283 -9.776 3.895 1.00 0.00 C ATOM 1228 C ALA A 78 -1.624 -9.913 3.175 1.00 0.00 C ATOM 1229 O ALA A 78 -2.657 -10.032 3.833 1.00 0.00 O ATOM 1230 CB ALA A 78 -0.325 -8.623 4.889 1.00 0.00 C ATOM 0 H ALA A 78 0.996 -8.584 2.757 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.117 -10.718 4.417 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.153 -8.771 5.583 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.612 -8.587 5.445 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.464 -7.685 4.352 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.605 -9.893 1.836 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.778 -10.057 0.978 1.00 0.00 C ATOM 1238 C VAL A 79 -4.041 -9.430 1.580 1.00 0.00 C ATOM 1239 O VAL A 79 -4.953 -10.116 2.039 1.00 0.00 O ATOM 1240 CB VAL A 79 -2.941 -11.525 0.542 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -2.798 -12.508 1.698 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -4.228 -11.740 -0.227 1.00 0.00 C ATOM 0 H VAL A 79 -0.744 -9.758 1.307 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.610 -9.489 0.063 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.115 -11.736 -0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.923 -13.526 1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.809 -12.403 2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.560 -12.299 2.449 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.308 -12.788 -0.518 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.077 -11.473 0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.227 -11.115 -1.120 1.00 0.00 H new ATOM 1252 N LEU A 80 -4.084 -8.094 1.578 1.00 0.00 N ATOM 1253 CA LEU A 80 -5.266 -7.367 2.035 1.00 0.00 C ATOM 1254 C LEU A 80 -6.458 -7.487 1.072 1.00 0.00 C ATOM 1255 O LEU A 80 -7.528 -6.954 1.365 1.00 0.00 O ATOM 1256 CB LEU A 80 -4.922 -5.901 2.335 1.00 0.00 C ATOM 1257 CG LEU A 80 -4.424 -5.105 1.125 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -5.504 -4.807 0.088 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -3.875 -3.761 1.592 1.00 0.00 C ATOM 0 H LEU A 80 -3.316 -7.499 1.266 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.587 -7.840 2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.807 -5.409 2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.158 -5.872 3.112 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.666 -5.732 0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.071 -4.241 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.913 -5.744 -0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.301 -4.224 0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.520 -3.194 0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.663 -3.201 2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.049 -3.926 2.283 1.00 0.00 H new ATOM 1271 N ASP A 81 -6.296 -8.172 -0.068 1.00 0.00 N ATOM 1272 CA ASP A 81 -7.394 -8.342 -1.015 1.00 0.00 C ATOM 1273 C ASP A 81 -7.461 -9.777 -1.534 1.00 0.00 C ATOM 1274 O ASP A 81 -8.498 -10.425 -1.406 1.00 0.00 O ATOM 1275 CB ASP A 81 -7.254 -7.357 -2.179 1.00 0.00 C ATOM 1276 CG ASP A 81 -8.373 -7.551 -3.200 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -8.231 -8.458 -4.049 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -9.365 -6.790 -3.128 1.00 0.00 O ATOM 0 H ASP A 81 -5.421 -8.612 -0.351 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.326 -8.133 -0.489 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.276 -6.335 -1.800 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.287 -7.496 -2.663 1.00 0.00 H new ATOM 1283 N GLY A 82 -6.366 -10.277 -2.117 1.00 0.00 N ATOM 1284 CA GLY A 82 -6.303 -11.669 -2.555 1.00 0.00 C ATOM 1285 C GLY A 82 -5.203 -11.948 -3.575 1.00 0.00 C ATOM 1286 O GLY A 82 -5.358 -12.812 -4.440 1.00 0.00 O ATOM 0 H GLY A 82 -5.518 -9.739 -2.294 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.148 -12.307 -1.685 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.264 -11.947 -2.987 1.00 0.00 H new ATOM 1290 N ARG A 83 -4.095 -11.212 -3.474 1.00 0.00 N ATOM 1291 CA ARG A 83 -2.898 -11.463 -4.261 1.00 0.00 C ATOM 1292 C ARG A 83 -1.682 -11.457 -3.356 1.00 0.00 C ATOM 1293 O ARG A 83 -0.892 -12.394 -3.422 1.00 0.00 O ATOM 1294 CB ARG A 83 -2.775 -10.446 -5.403 1.00 0.00 C ATOM 1295 CG ARG A 83 -3.130 -9.013 -4.988 1.00 0.00 C ATOM 1296 CD ARG A 83 -2.562 -8.025 -6.002 1.00 0.00 C ATOM 1297 NE ARG A 83 -3.042 -8.317 -7.359 1.00 0.00 N ATOM 1298 CZ ARG A 83 -2.276 -8.321 -8.455 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -0.978 -8.031 -8.392 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -2.812 -8.618 -9.636 1.00 0.00 N ATOM 0 H ARG A 83 -4.008 -10.420 -2.837 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.968 -12.448 -4.723 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.754 -10.463 -5.785 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.427 -10.751 -6.222 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.212 -8.901 -4.924 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.729 -8.802 -3.997 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.847 -7.011 -5.724 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.473 -8.066 -5.982 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.032 -8.533 -7.474 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.550 -7.800 -7.495 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.412 -8.040 -9.240 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.805 -8.842 -9.704 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.230 -8.622 -10.474 1.00 0.00 H new ATOM 1314 N GLU A 84 -1.564 -10.407 -2.530 1.00 0.00 N ATOM 1315 CA GLU A 84 -0.492 -10.101 -1.600 1.00 0.00 C ATOM 1316 C GLU A 84 -0.259 -8.598 -1.616 1.00 0.00 C ATOM 1317 O GLU A 84 -0.762 -7.886 -2.484 1.00 0.00 O ATOM 1318 CB GLU A 84 0.794 -10.864 -1.920 1.00 0.00 C ATOM 1319 CG GLU A 84 0.868 -12.104 -1.031 1.00 0.00 C ATOM 1320 CD GLU A 84 1.970 -13.066 -1.473 1.00 0.00 C ATOM 1321 OE1 GLU A 84 3.130 -12.605 -1.583 1.00 0.00 O ATOM 1322 OE2 GLU A 84 1.652 -14.255 -1.698 1.00 0.00 O ATOM 0 H GLU A 84 -2.289 -9.690 -2.502 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.789 -10.424 -0.602 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.810 -11.152 -2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.662 -10.227 -1.751 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.046 -11.799 0.000 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.092 -12.620 -1.050 1.00 0.00 H new ATOM 1329 N LEU A 85 0.511 -8.121 -0.645 1.00 0.00 N ATOM 1330 CA LEU A 85 0.939 -6.736 -0.581 1.00 0.00 C ATOM 1331 C LEU A 85 2.465 -6.719 -0.525 1.00 0.00 C ATOM 1332 O LEU A 85 3.084 -7.765 -0.344 1.00 0.00 O ATOM 1333 CB LEU A 85 0.298 -6.108 0.665 1.00 0.00 C ATOM 1334 CG LEU A 85 -0.439 -4.789 0.416 1.00 0.00 C ATOM 1335 CD1 LEU A 85 0.540 -3.667 0.119 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -1.421 -4.905 -0.750 1.00 0.00 C ATOM 0 H LEU A 85 0.857 -8.693 0.125 1.00 0.00 H new ATOM 0 HA LEU A 85 0.629 -6.158 -1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.403 -6.823 1.095 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.076 -5.938 1.409 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.993 -4.562 1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.009 -2.741 -0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.212 -3.537 0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.120 -3.916 -0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.925 -3.950 -0.897 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.879 -5.173 -1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.160 -5.675 -0.528 1.00 0.00 H new ATOM 1348 N ARG A 86 3.080 -5.551 -0.688 1.00 0.00 N ATOM 1349 CA ARG A 86 4.530 -5.427 -0.632 1.00 0.00 C ATOM 1350 C ARG A 86 4.887 -4.167 0.122 1.00 0.00 C ATOM 1351 O ARG A 86 4.324 -3.107 -0.135 1.00 0.00 O ATOM 1352 CB ARG A 86 5.112 -5.357 -2.046 1.00 0.00 C ATOM 1353 CG ARG A 86 4.933 -6.664 -2.818 1.00 0.00 C ATOM 1354 CD ARG A 86 5.701 -7.789 -2.131 1.00 0.00 C ATOM 1355 NE ARG A 86 5.656 -9.021 -2.926 1.00 0.00 N ATOM 1356 CZ ARG A 86 4.982 -10.120 -2.574 1.00 0.00 C ATOM 1357 NH1 ARG A 86 4.270 -10.153 -1.451 1.00 0.00 N ATOM 1358 NH2 ARG A 86 5.012 -11.209 -3.339 1.00 0.00 N ATOM 0 H ARG A 86 2.591 -4.673 -0.861 1.00 0.00 H new ATOM 0 HA ARG A 86 4.945 -6.297 -0.124 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.631 -4.547 -2.594 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.173 -5.116 -1.987 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.875 -6.919 -2.876 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.289 -6.543 -3.841 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.738 -7.487 -1.981 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.277 -7.974 -1.144 1.00 0.00 H new ATOM 0 HE ARG A 86 6.173 -9.040 -3.805 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.233 -9.333 -0.846 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.760 -10.999 -1.195 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.553 -11.210 -4.204 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.494 -12.042 -3.061 1.00 0.00 H new ATOM 1372 N VAL A 87 5.829 -4.289 1.055 1.00 0.00 N ATOM 1373 CA VAL A 87 6.213 -3.165 1.883 1.00 0.00 C ATOM 1374 C VAL A 87 7.720 -3.120 2.066 1.00 0.00 C ATOM 1375 O VAL A 87 8.365 -4.138 2.312 1.00 0.00 O ATOM 1376 CB VAL A 87 5.495 -3.271 3.229 1.00 0.00 C ATOM 1377 CG1 VAL A 87 5.697 -1.961 3.979 1.00 0.00 C ATOM 1378 CG2 VAL A 87 4.009 -3.590 3.078 1.00 0.00 C ATOM 0 H VAL A 87 6.334 -5.153 1.250 1.00 0.00 H new ATOM 0 HA VAL A 87 5.920 -2.236 1.395 1.00 0.00 H new ATOM 0 HB VAL A 87 5.923 -4.102 3.790 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.193 -2.013 4.944 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.762 -1.791 4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.280 -1.140 3.396 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.549 -3.654 4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.524 -2.802 2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.892 -4.542 2.561 1.00 0.00 H new ATOM 1388 N GLN A 88 8.272 -1.912 1.938 1.00 0.00 N ATOM 1389 CA GLN A 88 9.706 -1.660 1.999 1.00 0.00 C ATOM 1390 C GLN A 88 9.977 -0.161 2.111 1.00 0.00 C ATOM 1391 O GLN A 88 9.200 0.658 1.630 1.00 0.00 O ATOM 1392 CB GLN A 88 10.371 -2.217 0.737 1.00 0.00 C ATOM 1393 CG GLN A 88 9.654 -1.762 -0.536 1.00 0.00 C ATOM 1394 CD GLN A 88 10.386 -2.219 -1.790 1.00 0.00 C ATOM 1395 OE1 GLN A 88 11.603 -2.396 -1.795 1.00 0.00 O ATOM 1396 NE2 GLN A 88 9.649 -2.417 -2.882 1.00 0.00 N ATOM 0 H GLN A 88 7.721 -1.067 1.786 1.00 0.00 H new ATOM 0 HA GLN A 88 10.119 -2.154 2.879 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.411 -1.894 0.702 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.377 -3.306 0.781 1.00 0.00 H new ATOM 0 HG2 GLN A 88 8.639 -2.158 -0.543 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.572 -0.675 -0.538 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.641 -2.263 -2.852 1.00 0.00 H new ATOM 0 HE22 GLN A 88 10.093 -2.722 -3.748 1.00 0.00 H new ATOM 1405 N MET A 89 11.089 0.198 2.751 1.00 0.00 N ATOM 1406 CA MET A 89 11.527 1.580 2.873 1.00 0.00 C ATOM 1407 C MET A 89 11.654 2.237 1.499 1.00 0.00 C ATOM 1408 O MET A 89 12.102 1.611 0.539 1.00 0.00 O ATOM 1409 CB MET A 89 12.854 1.603 3.622 1.00 0.00 C ATOM 1410 CG MET A 89 12.594 1.205 5.074 1.00 0.00 C ATOM 1411 SD MET A 89 11.823 2.520 6.053 1.00 0.00 S ATOM 1412 CE MET A 89 11.171 1.513 7.400 1.00 0.00 C ATOM 0 H MET A 89 11.714 -0.471 3.202 1.00 0.00 H new ATOM 0 HA MET A 89 10.786 2.153 3.431 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.562 0.914 3.161 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.299 2.597 3.575 1.00 0.00 H new ATOM 0 HG2 MET A 89 11.952 0.324 5.092 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.538 0.921 5.540 1.00 0.00 H new ATOM 0 HE1 MET A 89 11.178 2.092 8.323 1.00 0.00 H new ATOM 0 HE2 MET A 89 10.149 1.212 7.168 1.00 0.00 H new ATOM 0 HE3 MET A 89 11.791 0.625 7.524 1.00 0.00 H new ATOM 1422 N ALA A 90 11.253 3.508 1.411 1.00 0.00 N ATOM 1423 CA ALA A 90 11.314 4.284 0.185 1.00 0.00 C ATOM 1424 C ALA A 90 12.706 4.884 -0.032 1.00 0.00 C ATOM 1425 O ALA A 90 12.950 5.494 -1.071 1.00 0.00 O ATOM 1426 CB ALA A 90 10.256 5.384 0.240 1.00 0.00 C ATOM 0 H ALA A 90 10.873 4.027 2.203 1.00 0.00 H new ATOM 0 HA ALA A 90 11.115 3.624 -0.659 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.295 5.972 -0.677 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.268 4.934 0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 90 10.449 6.032 1.095 1.00 0.00 H new