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 159:sc= -0.0676 (180deg=-0.738) USER MOD Set 1.2: A 89 MET CE :methyl 146:sc= -0.0177 (180deg=0) USER MOD Single : A 15 SER OG : rot 32:sc= 0.0675 USER MOD Single : A 17 LYS NZ :NH3+ -167:sc= -0.0139 (180deg=-0.216) USER MOD Single : A 20 ASN : amide:sc= -1.75! C(o=-1.8!,f=-7.6!) USER MOD Single : A 22 THR OG1 : rot -40:sc= 0.428 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -160:sc= 0.00302 USER MOD Single : A 26 SER OG : rot 78:sc= 0.191 USER MOD Single : A 29 THR OG1 : rot 123:sc= 0.102 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -156:sc= 0.0807 USER MOD Single : A 44 TYR OH : rot 68:sc= 1.22 USER MOD Single : A 63 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-7.1!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -169:sc= -0.813 (180deg=-1.5) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 203 N SER A 15 11.429 6.530 5.624 1.00 0.00 N ATOM 204 CA SER A 15 10.359 6.613 4.635 1.00 0.00 C ATOM 205 C SER A 15 10.011 5.233 4.122 1.00 0.00 C ATOM 206 O SER A 15 10.876 4.450 3.739 1.00 0.00 O ATOM 207 CB SER A 15 10.675 7.589 3.500 1.00 0.00 C ATOM 208 OG SER A 15 10.935 8.873 4.028 1.00 0.00 O ATOM 0 HA SER A 15 9.481 7.023 5.134 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.538 7.237 2.936 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.837 7.635 2.805 1.00 0.00 H new ATOM 0 HG SER A 15 11.350 8.786 4.912 1.00 0.00 H new ATOM 214 N LEU A 16 8.709 4.955 4.121 1.00 0.00 N ATOM 215 CA LEU A 16 8.196 3.670 3.667 1.00 0.00 C ATOM 216 C LEU A 16 7.607 3.841 2.277 1.00 0.00 C ATOM 217 O LEU A 16 7.300 4.969 1.903 1.00 0.00 O ATOM 218 CB LEU A 16 7.113 3.194 4.637 1.00 0.00 C ATOM 219 CG LEU A 16 6.682 1.743 4.400 1.00 0.00 C ATOM 220 CD1 LEU A 16 7.844 0.786 4.668 1.00 0.00 C ATOM 221 CD2 LEU A 16 5.519 1.401 5.322 1.00 0.00 C ATOM 0 H LEU A 16 7.989 5.608 4.432 1.00 0.00 H new ATOM 0 HA LEU A 16 8.998 2.932 3.634 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.480 3.294 5.658 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.243 3.844 4.546 1.00 0.00 H new ATOM 0 HG LEU A 16 6.373 1.636 3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.518 -0.240 4.494 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.672 1.022 3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.172 0.892 5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.212 0.369 5.153 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.830 1.522 6.360 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.682 2.067 5.114 1.00 0.00 H new ATOM 233 N LYS A 17 7.466 2.726 1.554 1.00 0.00 N ATOM 234 CA LYS A 17 6.840 2.595 0.244 1.00 0.00 C ATOM 235 C LYS A 17 6.049 1.289 0.247 1.00 0.00 C ATOM 236 O LYS A 17 6.527 0.257 0.713 1.00 0.00 O ATOM 237 CB LYS A 17 7.926 2.596 -0.837 1.00 0.00 C ATOM 238 CG LYS A 17 7.560 1.877 -2.136 1.00 0.00 C ATOM 239 CD LYS A 17 6.449 2.584 -2.905 1.00 0.00 C ATOM 240 CE LYS A 17 6.062 1.780 -4.140 1.00 0.00 C ATOM 241 NZ LYS A 17 7.188 1.658 -5.088 1.00 0.00 N ATOM 0 H LYS A 17 7.812 1.830 1.897 1.00 0.00 H new ATOM 0 HA LYS A 17 6.167 3.426 0.032 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.179 3.630 -1.073 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.824 2.134 -0.426 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.445 1.804 -2.768 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.247 0.858 -1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.579 2.715 -2.261 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.780 3.580 -3.201 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.731 0.786 -3.838 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.219 2.260 -4.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.837 1.304 -6.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.629 2.590 -5.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.892 0.994 -4.707 1.00 0.00 H new ATOM 255 N VAL A 18 4.825 1.332 -0.274 1.00 0.00 N ATOM 256 CA VAL A 18 3.993 0.140 -0.408 1.00 0.00 C ATOM 257 C VAL A 18 3.493 0.018 -1.829 1.00 0.00 C ATOM 258 O VAL A 18 3.144 1.035 -2.427 1.00 0.00 O ATOM 259 CB VAL A 18 2.803 0.261 0.531 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.642 -0.640 0.089 1.00 0.00 C ATOM 261 CG2 VAL A 18 3.251 -0.092 1.942 1.00 0.00 C ATOM 0 H VAL A 18 4.385 2.188 -0.613 1.00 0.00 H new ATOM 0 HA VAL A 18 4.581 -0.743 -0.158 1.00 0.00 H new ATOM 0 HB VAL A 18 2.437 1.287 0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.809 -0.527 0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.321 -0.354 -0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.970 -1.679 0.082 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.405 -0.008 2.624 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.631 -1.114 1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.039 0.593 2.256 1.00 0.00 H new ATOM 271 N ASP A 19 3.477 -1.235 -2.312 1.00 0.00 N ATOM 272 CA ASP A 19 3.268 -1.641 -3.699 1.00 0.00 C ATOM 273 C ASP A 19 2.398 -2.912 -3.786 1.00 0.00 C ATOM 274 O ASP A 19 2.068 -3.519 -2.768 1.00 0.00 O ATOM 275 CB ASP A 19 4.666 -1.817 -4.317 1.00 0.00 C ATOM 276 CG ASP A 19 4.832 -3.023 -5.245 1.00 0.00 C ATOM 277 OD1 ASP A 19 4.407 -2.925 -6.417 1.00 0.00 O ATOM 278 OD2 ASP A 19 5.388 -4.040 -4.777 1.00 0.00 O ATOM 0 H ASP A 19 3.619 -2.038 -1.699 1.00 0.00 H new ATOM 0 HA ASP A 19 2.712 -0.889 -4.259 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.913 -0.914 -4.876 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.393 -1.900 -3.509 1.00 0.00 H new ATOM 283 N ASN A 20 2.037 -3.294 -5.017 1.00 0.00 N ATOM 284 CA ASN A 20 1.176 -4.419 -5.377 1.00 0.00 C ATOM 285 C ASN A 20 -0.297 -4.143 -5.069 1.00 0.00 C ATOM 286 O ASN A 20 -0.691 -4.093 -3.907 1.00 0.00 O ATOM 287 CB ASN A 20 1.671 -5.716 -4.732 1.00 0.00 C ATOM 288 CG ASN A 20 1.279 -6.921 -5.576 1.00 0.00 C ATOM 289 OD1 ASN A 20 1.377 -6.887 -6.800 1.00 0.00 O ATOM 290 ND2 ASN A 20 0.831 -7.996 -4.946 1.00 0.00 N ATOM 0 H ASN A 20 2.363 -2.789 -5.841 1.00 0.00 H new ATOM 0 HA ASN A 20 1.239 -4.547 -6.458 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.755 -5.682 -4.620 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.250 -5.814 -3.731 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.558 -8.822 -5.478 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.759 -7.998 -3.929 1.00 0.00 H new ATOM 297 N LEU A 21 -1.112 -3.976 -6.118 1.00 0.00 N ATOM 298 CA LEU A 21 -2.536 -3.677 -6.002 1.00 0.00 C ATOM 299 C LEU A 21 -3.362 -4.562 -6.927 1.00 0.00 C ATOM 300 O LEU A 21 -2.842 -5.094 -7.906 1.00 0.00 O ATOM 301 CB LEU A 21 -2.805 -2.226 -6.412 1.00 0.00 C ATOM 302 CG LEU A 21 -1.894 -1.202 -5.750 1.00 0.00 C ATOM 303 CD1 LEU A 21 -2.244 0.167 -6.330 1.00 0.00 C ATOM 304 CD2 LEU A 21 -2.060 -1.182 -4.235 1.00 0.00 C ATOM 0 H LEU A 21 -0.791 -4.047 -7.084 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.817 -3.853 -4.964 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.699 -2.142 -7.494 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.840 -1.981 -6.173 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.855 -1.465 -5.949 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.608 0.928 -5.877 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.085 0.157 -7.408 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.289 0.395 -6.120 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.391 -0.437 -3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.091 -0.931 -3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.817 -2.164 -3.829 1.00 0.00 H new ATOM 316 N THR A 22 -4.648 -4.713 -6.618 1.00 0.00 N ATOM 317 CA THR A 22 -5.568 -5.500 -7.429 1.00 0.00 C ATOM 318 C THR A 22 -6.299 -4.627 -8.446 1.00 0.00 C ATOM 319 O THR A 22 -7.239 -5.099 -9.078 1.00 0.00 O ATOM 320 CB THR A 22 -6.554 -6.243 -6.522 1.00 0.00 C ATOM 321 OG1 THR A 22 -7.252 -7.232 -7.243 1.00 0.00 O ATOM 322 CG2 THR A 22 -7.557 -5.302 -5.854 1.00 0.00 C ATOM 0 H THR A 22 -5.080 -4.291 -5.796 1.00 0.00 H new ATOM 0 HA THR A 22 -4.993 -6.234 -7.994 1.00 0.00 H new ATOM 0 HB THR A 22 -5.958 -6.711 -5.739 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.477 -6.890 -8.133 1.00 0.00 H new ATOM 0 HG21 THR A 22 -8.232 -5.879 -5.222 1.00 0.00 H new ATOM 0 HG22 THR A 22 -7.022 -4.574 -5.244 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.132 -4.781 -6.619 1.00 0.00 H new ATOM 329 N TYR A 23 -5.862 -3.362 -8.594 1.00 0.00 N ATOM 330 CA TYR A 23 -6.412 -2.333 -9.484 1.00 0.00 C ATOM 331 C TYR A 23 -7.543 -1.551 -8.823 1.00 0.00 C ATOM 332 O TYR A 23 -8.032 -0.557 -9.362 1.00 0.00 O ATOM 333 CB TYR A 23 -6.816 -2.909 -10.846 1.00 0.00 C ATOM 334 CG TYR A 23 -8.268 -2.722 -11.225 1.00 0.00 C ATOM 335 CD1 TYR A 23 -9.290 -3.370 -10.506 1.00 0.00 C ATOM 336 CD2 TYR A 23 -8.593 -1.889 -12.304 1.00 0.00 C ATOM 337 CE1 TYR A 23 -10.630 -3.195 -10.879 1.00 0.00 C ATOM 338 CE2 TYR A 23 -9.930 -1.708 -12.679 1.00 0.00 C ATOM 339 CZ TYR A 23 -10.955 -2.363 -11.971 1.00 0.00 C ATOM 340 OH TYR A 23 -12.258 -2.198 -12.342 1.00 0.00 O ATOM 0 H TYR A 23 -5.066 -3.014 -8.060 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.613 -1.617 -9.676 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.195 -2.448 -11.615 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.591 -3.976 -10.851 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.042 -4.002 -9.666 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.809 -1.384 -12.849 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.413 -3.697 -10.331 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -10.175 -1.065 -13.512 1.00 0.00 H new ATOM 0 HH TYR A 23 -12.305 -1.593 -13.111 1.00 0.00 H new ATOM 350 N ARG A 24 -7.952 -2.009 -7.639 1.00 0.00 N ATOM 351 CA ARG A 24 -9.042 -1.414 -6.874 1.00 0.00 C ATOM 352 C ARG A 24 -8.698 -1.321 -5.387 1.00 0.00 C ATOM 353 O ARG A 24 -9.536 -0.920 -4.584 1.00 0.00 O ATOM 354 CB ARG A 24 -10.295 -2.251 -7.151 1.00 0.00 C ATOM 355 CG ARG A 24 -11.570 -1.682 -6.520 1.00 0.00 C ATOM 356 CD ARG A 24 -12.775 -2.460 -7.030 1.00 0.00 C ATOM 357 NE ARG A 24 -14.020 -1.954 -6.440 1.00 0.00 N ATOM 358 CZ ARG A 24 -15.228 -2.440 -6.735 1.00 0.00 C ATOM 359 NH1 ARG A 24 -15.367 -3.434 -7.608 1.00 0.00 N ATOM 360 NH2 ARG A 24 -16.310 -1.929 -6.155 1.00 0.00 N ATOM 0 H ARG A 24 -7.528 -2.815 -7.180 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.220 -0.384 -7.182 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.438 -2.329 -8.229 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.135 -3.262 -6.777 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.513 -1.749 -5.434 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.673 -0.626 -6.769 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.827 -2.385 -8.116 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.658 -3.517 -6.789 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.959 -1.189 -5.768 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.545 -3.834 -8.061 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -16.296 -3.796 -7.825 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.217 -1.166 -5.485 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -17.233 -2.300 -6.380 1.00 0.00 H new ATOM 374 N THR A 25 -7.467 -1.687 -5.013 1.00 0.00 N ATOM 375 CA THR A 25 -7.019 -1.600 -3.630 1.00 0.00 C ATOM 376 C THR A 25 -7.207 -0.182 -3.091 1.00 0.00 C ATOM 377 O THR A 25 -7.573 -0.016 -1.933 1.00 0.00 O ATOM 378 CB THR A 25 -5.554 -2.022 -3.558 1.00 0.00 C ATOM 379 OG1 THR A 25 -5.417 -3.385 -3.898 1.00 0.00 O ATOM 380 CG2 THR A 25 -4.981 -1.786 -2.165 1.00 0.00 C ATOM 0 H THR A 25 -6.764 -2.048 -5.658 1.00 0.00 H new ATOM 0 HA THR A 25 -7.616 -2.268 -3.009 1.00 0.00 H new ATOM 0 HB THR A 25 -4.999 -1.413 -4.271 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.565 -3.724 -3.553 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.936 -2.096 -2.144 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.050 -0.727 -1.918 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.546 -2.366 -1.436 1.00 0.00 H new ATOM 387 N SER A 26 -6.956 0.826 -3.937 1.00 0.00 N ATOM 388 CA SER A 26 -7.129 2.251 -3.663 1.00 0.00 C ATOM 389 C SER A 26 -6.347 2.796 -2.459 1.00 0.00 C ATOM 390 O SER A 26 -6.031 2.073 -1.518 1.00 0.00 O ATOM 391 CB SER A 26 -8.622 2.545 -3.525 1.00 0.00 C ATOM 392 OG SER A 26 -9.294 2.207 -4.721 1.00 0.00 O ATOM 0 H SER A 26 -6.608 0.655 -4.881 1.00 0.00 H new ATOM 0 HA SER A 26 -6.697 2.780 -4.512 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.037 1.978 -2.692 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.774 3.600 -3.299 1.00 0.00 H new ATOM 0 HG SER A 26 -9.414 1.235 -4.766 1.00 0.00 H new ATOM 398 N PRO A 27 -6.024 4.101 -2.483 1.00 0.00 N ATOM 399 CA PRO A 27 -5.285 4.781 -1.422 1.00 0.00 C ATOM 400 C PRO A 27 -6.047 4.827 -0.107 1.00 0.00 C ATOM 401 O PRO A 27 -5.425 4.879 0.948 1.00 0.00 O ATOM 402 CB PRO A 27 -5.024 6.197 -1.942 1.00 0.00 C ATOM 403 CG PRO A 27 -6.065 6.407 -3.040 1.00 0.00 C ATOM 404 CD PRO A 27 -6.347 5.009 -3.572 1.00 0.00 C ATOM 0 HA PRO A 27 -4.364 4.242 -1.201 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.132 6.936 -1.148 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.011 6.294 -2.333 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.969 6.871 -2.646 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.687 7.061 -3.825 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.390 4.907 -3.871 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.741 4.796 -4.453 1.00 0.00 H new ATOM 412 N ASP A 28 -7.384 4.808 -0.138 1.00 0.00 N ATOM 413 CA ASP A 28 -8.170 4.905 1.085 1.00 0.00 C ATOM 414 C ASP A 28 -8.068 3.639 1.920 1.00 0.00 C ATOM 415 O ASP A 28 -7.919 3.717 3.140 1.00 0.00 O ATOM 416 CB ASP A 28 -9.633 5.119 0.720 1.00 0.00 C ATOM 417 CG ASP A 28 -10.482 5.376 1.964 1.00 0.00 C ATOM 418 OD1 ASP A 28 -10.970 4.383 2.551 1.00 0.00 O ATOM 419 OD2 ASP A 28 -10.642 6.564 2.325 1.00 0.00 O ATOM 0 H ASP A 28 -7.936 4.727 -0.992 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.781 5.740 1.668 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.720 5.964 0.037 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.011 4.243 0.193 1.00 0.00 H new ATOM 424 N THR A 29 -8.144 2.467 1.278 1.00 0.00 N ATOM 425 CA THR A 29 -8.066 1.214 2.006 1.00 0.00 C ATOM 426 C THR A 29 -6.675 1.097 2.588 1.00 0.00 C ATOM 427 O THR A 29 -6.516 0.709 3.741 1.00 0.00 O ATOM 428 CB THR A 29 -8.322 0.035 1.070 1.00 0.00 C ATOM 429 OG1 THR A 29 -9.521 0.250 0.358 1.00 0.00 O ATOM 430 CG2 THR A 29 -8.447 -1.265 1.860 1.00 0.00 C ATOM 0 H THR A 29 -8.258 2.369 0.269 1.00 0.00 H new ATOM 0 HA THR A 29 -8.820 1.199 2.793 1.00 0.00 H new ATOM 0 HB THR A 29 -7.481 -0.045 0.381 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.338 0.229 -0.605 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.629 -2.092 1.174 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.524 -1.447 2.410 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.278 -1.186 2.561 1.00 0.00 H new ATOM 437 N LEU A 30 -5.662 1.445 1.791 1.00 0.00 N ATOM 438 CA LEU A 30 -4.286 1.397 2.237 1.00 0.00 C ATOM 439 C LEU A 30 -4.085 2.350 3.402 1.00 0.00 C ATOM 440 O LEU A 30 -3.297 2.064 4.299 1.00 0.00 O ATOM 441 CB LEU A 30 -3.376 1.814 1.081 1.00 0.00 C ATOM 442 CG LEU A 30 -3.442 0.835 -0.088 1.00 0.00 C ATOM 443 CD1 LEU A 30 -2.870 1.522 -1.323 1.00 0.00 C ATOM 444 CD2 LEU A 30 -2.638 -0.423 0.219 1.00 0.00 C ATOM 0 H LEU A 30 -5.780 1.764 0.829 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.044 0.384 2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.662 2.808 0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.348 1.883 1.437 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.478 0.543 -0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.908 0.838 -2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.457 2.412 -1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.835 1.808 -1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.698 -1.108 -0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.596 -0.155 0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.044 -0.907 1.107 1.00 0.00 H new ATOM 456 N ARG A 31 -4.789 3.485 3.410 1.00 0.00 N ATOM 457 CA ARG A 31 -4.610 4.480 4.455 1.00 0.00 C ATOM 458 C ARG A 31 -4.912 3.866 5.810 1.00 0.00 C ATOM 459 O ARG A 31 -4.073 3.905 6.703 1.00 0.00 O ATOM 460 CB ARG A 31 -5.525 5.679 4.183 1.00 0.00 C ATOM 461 CG ARG A 31 -4.989 6.992 4.755 1.00 0.00 C ATOM 462 CD ARG A 31 -4.519 6.869 6.200 1.00 0.00 C ATOM 463 NE ARG A 31 -4.162 8.184 6.747 1.00 0.00 N ATOM 464 CZ ARG A 31 -4.977 8.958 7.469 1.00 0.00 C ATOM 465 NH1 ARG A 31 -6.225 8.577 7.743 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.546 10.131 7.925 1.00 0.00 N ATOM 0 H ARG A 31 -5.484 3.731 2.705 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.576 4.825 4.459 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.659 5.788 3.107 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.509 5.480 4.608 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.160 7.338 4.138 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.769 7.752 4.696 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.306 6.420 6.806 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.658 6.203 6.251 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.221 8.533 6.562 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.572 7.681 7.400 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.833 9.181 8.296 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.595 10.438 7.723 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.167 10.723 8.476 1.00 0.00 H new ATOM 480 N ARG A 32 -6.109 3.301 5.961 1.00 0.00 N ATOM 481 CA ARG A 32 -6.539 2.719 7.230 1.00 0.00 C ATOM 482 C ARG A 32 -6.003 1.302 7.441 1.00 0.00 C ATOM 483 O ARG A 32 -6.200 0.728 8.507 1.00 0.00 O ATOM 484 CB ARG A 32 -8.067 2.768 7.285 1.00 0.00 C ATOM 485 CG ARG A 32 -8.685 1.886 6.196 1.00 0.00 C ATOM 486 CD ARG A 32 -9.907 2.555 5.567 1.00 0.00 C ATOM 487 NE ARG A 32 -10.963 2.801 6.547 1.00 0.00 N ATOM 488 CZ ARG A 32 -12.052 3.535 6.292 1.00 0.00 C ATOM 489 NH1 ARG A 32 -12.240 4.094 5.100 1.00 0.00 N ATOM 490 NH2 ARG A 32 -12.964 3.709 7.244 1.00 0.00 N ATOM 0 H ARG A 32 -6.801 3.234 5.215 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.121 3.304 8.049 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.410 2.436 8.265 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.406 3.796 7.161 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.942 1.682 5.425 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.973 0.925 6.623 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.609 3.499 5.111 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.295 1.923 4.768 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.864 2.391 7.476 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.548 3.966 4.362 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.077 4.650 4.924 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.831 3.284 8.162 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.797 4.267 7.057 1.00 0.00 H new ATOM 504 N VAL A 33 -5.329 0.741 6.438 1.00 0.00 N ATOM 505 CA VAL A 33 -4.658 -0.550 6.548 1.00 0.00 C ATOM 506 C VAL A 33 -3.211 -0.380 6.998 1.00 0.00 C ATOM 507 O VAL A 33 -2.575 -1.346 7.413 1.00 0.00 O ATOM 508 CB VAL A 33 -4.713 -1.243 5.180 1.00 0.00 C ATOM 509 CG1 VAL A 33 -3.661 -2.337 5.019 1.00 0.00 C ATOM 510 CG2 VAL A 33 -6.084 -1.891 5.028 1.00 0.00 C ATOM 0 H VAL A 33 -5.234 1.175 5.520 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.164 -1.158 7.298 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.521 -0.482 4.424 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.753 -2.788 4.031 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.667 -1.905 5.129 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.811 -3.101 5.782 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.145 -2.390 4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.231 -2.621 5.823 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.857 -1.125 5.091 1.00 0.00 H new ATOM 520 N PHE A 34 -2.683 0.839 6.926 1.00 0.00 N ATOM 521 CA PHE A 34 -1.292 1.100 7.258 1.00 0.00 C ATOM 522 C PHE A 34 -1.157 2.132 8.361 1.00 0.00 C ATOM 523 O PHE A 34 -0.298 1.992 9.228 1.00 0.00 O ATOM 524 CB PHE A 34 -0.578 1.568 5.991 1.00 0.00 C ATOM 525 CG PHE A 34 -0.066 0.437 5.147 1.00 0.00 C ATOM 526 CD1 PHE A 34 1.097 -0.230 5.546 1.00 0.00 C ATOM 527 CD2 PHE A 34 -0.738 0.051 3.985 1.00 0.00 C ATOM 528 CE1 PHE A 34 1.588 -1.296 4.785 1.00 0.00 C ATOM 529 CE2 PHE A 34 -0.247 -1.013 3.217 1.00 0.00 C ATOM 530 CZ PHE A 34 0.911 -1.695 3.626 1.00 0.00 C ATOM 0 H PHE A 34 -3.206 1.666 6.638 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.837 0.183 7.633 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.264 2.173 5.398 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.257 2.212 6.269 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.616 0.078 6.442 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.634 0.571 3.679 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.487 -1.810 5.091 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.758 -1.308 2.312 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.280 -2.528 3.046 1.00 0.00 H new ATOM 540 N GLU A 35 -1.992 3.168 8.354 1.00 0.00 N ATOM 541 CA GLU A 35 -1.890 4.166 9.402 1.00 0.00 C ATOM 542 C GLU A 35 -2.291 3.563 10.743 1.00 0.00 C ATOM 543 O GLU A 35 -1.987 4.120 11.792 1.00 0.00 O ATOM 544 CB GLU A 35 -2.742 5.398 9.082 1.00 0.00 C ATOM 545 CG GLU A 35 -4.225 5.246 9.430 1.00 0.00 C ATOM 546 CD GLU A 35 -4.525 5.559 10.892 1.00 0.00 C ATOM 547 OE1 GLU A 35 -4.108 6.645 11.352 1.00 0.00 O ATOM 548 OE2 GLU A 35 -5.179 4.714 11.542 1.00 0.00 O ATOM 0 H GLU A 35 -2.720 3.332 7.659 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.852 4.492 9.462 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.340 6.254 9.624 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.651 5.622 8.019 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.812 5.908 8.794 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.543 4.227 9.209 1.00 0.00 H new ATOM 555 N LYS A 36 -2.975 2.413 10.697 1.00 0.00 N ATOM 556 CA LYS A 36 -3.484 1.748 11.881 1.00 0.00 C ATOM 557 C LYS A 36 -2.360 1.367 12.829 1.00 0.00 C ATOM 558 O LYS A 36 -2.555 1.369 14.040 1.00 0.00 O ATOM 559 CB LYS A 36 -4.262 0.503 11.457 1.00 0.00 C ATOM 560 CG LYS A 36 -3.352 -0.543 10.804 1.00 0.00 C ATOM 561 CD LYS A 36 -4.149 -1.661 10.131 1.00 0.00 C ATOM 562 CE LYS A 36 -5.234 -2.222 11.042 1.00 0.00 C ATOM 563 NZ LYS A 36 -5.855 -3.423 10.457 1.00 0.00 N ATOM 0 H LYS A 36 -3.187 1.923 9.828 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.142 2.435 12.413 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.751 0.066 12.328 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.049 0.787 10.758 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.715 -0.057 10.065 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.694 -0.972 11.559 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.605 -1.281 9.217 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.471 -2.463 9.839 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.805 -2.468 12.013 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.997 -1.462 11.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.590 -3.782 11.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.284 -3.181 9.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.130 -4.155 10.316 1.00 0.00 H new ATOM 577 N TYR A 37 -1.189 1.037 12.279 1.00 0.00 N ATOM 578 CA TYR A 37 -0.052 0.671 13.092 1.00 0.00 C ATOM 579 C TYR A 37 0.583 1.896 13.743 1.00 0.00 C ATOM 580 O TYR A 37 1.295 1.774 14.740 1.00 0.00 O ATOM 581 CB TYR A 37 0.980 -0.034 12.220 1.00 0.00 C ATOM 582 CG TYR A 37 0.463 -1.327 11.634 1.00 0.00 C ATOM 583 CD1 TYR A 37 0.592 -2.515 12.368 1.00 0.00 C ATOM 584 CD2 TYR A 37 -0.150 -1.333 10.374 1.00 0.00 C ATOM 585 CE1 TYR A 37 0.097 -3.715 11.846 1.00 0.00 C ATOM 586 CE2 TYR A 37 -0.648 -2.530 9.848 1.00 0.00 C ATOM 587 CZ TYR A 37 -0.535 -3.727 10.585 1.00 0.00 C ATOM 588 OH TYR A 37 -1.039 -4.889 10.087 1.00 0.00 O ATOM 0 H TYR A 37 -1.014 1.019 11.274 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.395 0.006 13.885 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.282 0.632 11.411 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.871 -0.239 12.813 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.073 -2.504 13.335 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.238 -0.416 9.810 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.199 -4.632 12.408 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.120 -2.537 8.876 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.087 -4.832 9.110 1.00 0.00 H new ATOM 598 N GLY A 38 0.327 3.081 13.184 1.00 0.00 N ATOM 599 CA GLY A 38 0.817 4.320 13.769 1.00 0.00 C ATOM 600 C GLY A 38 0.312 5.540 13.009 1.00 0.00 C ATOM 601 O GLY A 38 -0.404 6.359 13.584 1.00 0.00 O ATOM 0 H GLY A 38 -0.216 3.203 12.329 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.499 4.382 14.810 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.907 4.317 13.769 1.00 0.00 H new ATOM 605 N ARG A 39 0.679 5.665 11.731 1.00 0.00 N ATOM 606 CA ARG A 39 0.246 6.780 10.896 1.00 0.00 C ATOM 607 C ARG A 39 0.692 6.606 9.452 1.00 0.00 C ATOM 608 O ARG A 39 1.546 5.779 9.154 1.00 0.00 O ATOM 609 CB ARG A 39 0.834 8.078 11.459 1.00 0.00 C ATOM 610 CG ARG A 39 -0.279 9.071 11.799 1.00 0.00 C ATOM 611 CD ARG A 39 0.146 9.969 12.962 1.00 0.00 C ATOM 612 NE ARG A 39 1.231 10.885 12.593 1.00 0.00 N ATOM 613 CZ ARG A 39 1.055 12.083 12.030 1.00 0.00 C ATOM 614 NH1 ARG A 39 -0.162 12.535 11.746 1.00 0.00 N ATOM 615 NH2 ARG A 39 2.109 12.842 11.746 1.00 0.00 N ATOM 0 H ARG A 39 1.282 4.997 11.251 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.843 6.815 10.906 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.420 7.861 12.352 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.514 8.521 10.731 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.510 9.681 10.926 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.189 8.531 12.061 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.713 10.546 13.304 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.467 9.348 13.799 1.00 0.00 H new ATOM 0 HE ARG A 39 2.188 10.585 12.780 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.980 11.964 11.958 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.278 13.453 11.316 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.049 12.509 11.958 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.977 13.757 11.316 1.00 0.00 H new ATOM 629 N VAL A 40 0.104 7.403 8.565 1.00 0.00 N ATOM 630 CA VAL A 40 0.441 7.429 7.152 1.00 0.00 C ATOM 631 C VAL A 40 0.658 8.877 6.739 1.00 0.00 C ATOM 632 O VAL A 40 -0.297 9.623 6.523 1.00 0.00 O ATOM 633 CB VAL A 40 -0.680 6.765 6.343 1.00 0.00 C ATOM 634 CG1 VAL A 40 -0.578 7.046 4.851 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.614 5.247 6.479 1.00 0.00 C ATOM 0 H VAL A 40 -0.634 8.060 8.817 1.00 0.00 H new ATOM 0 HA VAL A 40 1.356 6.870 6.958 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.605 7.180 6.743 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.398 6.550 4.331 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.636 8.121 4.678 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.372 6.668 4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.417 4.794 5.898 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.347 4.890 6.109 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.724 4.970 7.528 1.00 0.00 H new ATOM 645 N GLY A 41 1.931 9.258 6.634 1.00 0.00 N ATOM 646 CA GLY A 41 2.327 10.587 6.191 1.00 0.00 C ATOM 647 C GLY A 41 1.898 10.861 4.753 1.00 0.00 C ATOM 648 O GLY A 41 1.651 12.016 4.403 1.00 0.00 O ATOM 0 H GLY A 41 2.717 8.648 6.856 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.886 11.335 6.850 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.409 10.689 6.272 1.00 0.00 H new ATOM 652 N ASP A 42 1.807 9.813 3.926 1.00 0.00 N ATOM 653 CA ASP A 42 1.451 9.930 2.523 1.00 0.00 C ATOM 654 C ASP A 42 0.843 8.617 2.044 1.00 0.00 C ATOM 655 O ASP A 42 1.279 7.542 2.448 1.00 0.00 O ATOM 656 CB ASP A 42 2.715 10.215 1.709 1.00 0.00 C ATOM 657 CG ASP A 42 3.185 11.659 1.851 1.00 0.00 C ATOM 658 OD1 ASP A 42 2.482 12.553 1.327 1.00 0.00 O ATOM 659 OD2 ASP A 42 4.247 11.859 2.486 1.00 0.00 O ATOM 0 H ASP A 42 1.982 8.853 4.224 1.00 0.00 H new ATOM 0 HA ASP A 42 0.732 10.739 2.395 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.511 9.543 2.032 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.523 10.000 0.658 1.00 0.00 H new ATOM 664 N VAL A 43 -0.168 8.698 1.174 1.00 0.00 N ATOM 665 CA VAL A 43 -0.779 7.515 0.595 1.00 0.00 C ATOM 666 C VAL A 43 -1.308 7.891 -0.784 1.00 0.00 C ATOM 667 O VAL A 43 -2.218 8.711 -0.908 1.00 0.00 O ATOM 668 CB VAL A 43 -1.849 6.959 1.556 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.285 7.375 1.246 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.788 5.437 1.658 1.00 0.00 C ATOM 0 H VAL A 43 -0.577 9.578 0.859 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.062 6.705 0.460 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.589 7.416 2.511 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.959 6.932 1.979 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.366 8.461 1.288 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.557 7.030 0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.559 5.087 2.345 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.954 4.999 0.674 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.808 5.136 2.028 1.00 0.00 H new ATOM 680 N TYR A 44 -0.740 7.298 -1.835 1.00 0.00 N ATOM 681 CA TYR A 44 -1.218 7.567 -3.183 1.00 0.00 C ATOM 682 C TYR A 44 -0.883 6.414 -4.119 1.00 0.00 C ATOM 683 O TYR A 44 -0.092 5.541 -3.773 1.00 0.00 O ATOM 684 CB TYR A 44 -0.633 8.881 -3.705 1.00 0.00 C ATOM 685 CG TYR A 44 0.722 8.757 -4.368 1.00 0.00 C ATOM 686 CD1 TYR A 44 1.905 8.873 -3.627 1.00 0.00 C ATOM 687 CD2 TYR A 44 0.783 8.532 -5.752 1.00 0.00 C ATOM 688 CE1 TYR A 44 3.149 8.786 -4.272 1.00 0.00 C ATOM 689 CE2 TYR A 44 2.019 8.432 -6.400 1.00 0.00 C ATOM 690 CZ TYR A 44 3.212 8.567 -5.664 1.00 0.00 C ATOM 691 OH TYR A 44 4.415 8.490 -6.296 1.00 0.00 O ATOM 0 H TYR A 44 0.038 6.640 -1.777 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.303 7.664 -3.148 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.333 9.315 -4.420 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.552 9.581 -2.874 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.860 9.029 -2.559 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.130 8.435 -6.321 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.060 8.887 -3.701 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.058 8.251 -7.464 1.00 0.00 H new ATOM 0 HH TYR A 44 4.883 7.678 -6.010 1.00 0.00 H new ATOM 701 N ILE A 45 -1.494 6.418 -5.306 1.00 0.00 N ATOM 702 CA ILE A 45 -1.296 5.373 -6.296 1.00 0.00 C ATOM 703 C ILE A 45 -0.812 6.022 -7.600 1.00 0.00 C ATOM 704 O ILE A 45 -1.562 6.770 -8.228 1.00 0.00 O ATOM 705 CB ILE A 45 -2.601 4.586 -6.511 1.00 0.00 C ATOM 706 CG1 ILE A 45 -2.912 3.579 -5.395 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.487 3.759 -7.789 1.00 0.00 C ATOM 708 CD1 ILE A 45 -3.133 4.214 -4.029 1.00 0.00 C ATOM 0 H ILE A 45 -2.140 7.150 -5.602 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.544 4.664 -5.950 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.390 5.338 -6.543 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.802 3.013 -5.669 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.090 2.866 -5.324 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.410 3.200 -7.944 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.317 4.422 -8.637 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.653 3.064 -7.699 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.347 3.436 -3.296 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.236 4.756 -3.730 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.974 4.905 -4.081 1.00 0.00 H new ATOM 720 N PRO A 46 0.435 5.741 -8.012 1.00 0.00 N ATOM 721 CA PRO A 46 1.026 6.168 -9.271 1.00 0.00 C ATOM 722 C PRO A 46 0.439 5.388 -10.454 1.00 0.00 C ATOM 723 O PRO A 46 1.170 4.757 -11.215 1.00 0.00 O ATOM 724 CB PRO A 46 2.525 5.922 -9.114 1.00 0.00 C ATOM 725 CG PRO A 46 2.581 4.740 -8.158 1.00 0.00 C ATOM 726 CD PRO A 46 1.391 4.970 -7.238 1.00 0.00 C ATOM 0 HA PRO A 46 0.816 7.216 -9.485 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.998 5.691 -10.069 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.036 6.794 -8.707 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.501 3.791 -8.688 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.519 4.717 -7.603 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.959 4.023 -6.914 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.690 5.508 -6.339 1.00 0.00 H new ATOM 900 N GLY A 56 -0.464 -1.153 -11.149 1.00 0.00 N ATOM 901 CA GLY A 56 -0.459 -2.369 -10.349 1.00 0.00 C ATOM 902 C GLY A 56 0.255 -2.195 -9.009 1.00 0.00 C ATOM 903 O GLY A 56 0.520 -3.192 -8.335 1.00 0.00 O ATOM 0 HA2 GLY A 56 -1.487 -2.684 -10.169 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.025 -3.167 -10.912 1.00 0.00 H new ATOM 907 N PHE A 57 0.571 -0.959 -8.608 1.00 0.00 N ATOM 908 CA PHE A 57 1.274 -0.695 -7.364 1.00 0.00 C ATOM 909 C PHE A 57 0.865 0.655 -6.802 1.00 0.00 C ATOM 910 O PHE A 57 0.435 1.541 -7.542 1.00 0.00 O ATOM 911 CB PHE A 57 2.786 -0.753 -7.593 1.00 0.00 C ATOM 912 CG PHE A 57 3.415 0.457 -8.248 1.00 0.00 C ATOM 913 CD1 PHE A 57 3.217 0.723 -9.612 1.00 0.00 C ATOM 914 CD2 PHE A 57 4.209 1.315 -7.477 1.00 0.00 C ATOM 915 CE1 PHE A 57 3.809 1.851 -10.198 1.00 0.00 C ATOM 916 CE2 PHE A 57 4.801 2.441 -8.064 1.00 0.00 C ATOM 917 CZ PHE A 57 4.599 2.712 -9.422 1.00 0.00 C ATOM 0 H PHE A 57 0.344 -0.120 -9.141 1.00 0.00 H new ATOM 0 HA PHE A 57 1.005 -1.461 -6.637 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.271 -0.911 -6.630 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.005 -1.626 -8.207 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.609 0.060 -10.209 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.365 1.108 -6.429 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.657 2.057 -11.247 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.414 3.101 -7.468 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.051 3.583 -9.872 1.00 0.00 H new ATOM 927 N ALA A 58 1.005 0.796 -5.486 1.00 0.00 N ATOM 928 CA ALA A 58 0.697 2.018 -4.774 1.00 0.00 C ATOM 929 C ALA A 58 1.998 2.676 -4.338 1.00 0.00 C ATOM 930 O ALA A 58 3.075 2.354 -4.836 1.00 0.00 O ATOM 931 CB ALA A 58 -0.184 1.697 -3.564 1.00 0.00 C ATOM 0 H ALA A 58 1.342 0.047 -4.881 1.00 0.00 H new ATOM 0 HA ALA A 58 0.152 2.706 -5.421 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.416 2.617 -3.028 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.110 1.231 -3.901 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.345 1.014 -2.900 1.00 0.00 H new ATOM 937 N PHE A 59 1.882 3.605 -3.398 1.00 0.00 N ATOM 938 CA PHE A 59 3.010 4.318 -2.841 1.00 0.00 C ATOM 939 C PHE A 59 2.559 4.881 -1.516 1.00 0.00 C ATOM 940 O PHE A 59 2.434 6.097 -1.356 1.00 0.00 O ATOM 941 CB PHE A 59 3.452 5.392 -3.833 1.00 0.00 C ATOM 942 CG PHE A 59 4.933 5.680 -3.873 1.00 0.00 C ATOM 943 CD1 PHE A 59 5.688 5.818 -2.700 1.00 0.00 C ATOM 944 CD2 PHE A 59 5.555 5.808 -5.125 1.00 0.00 C ATOM 945 CE1 PHE A 59 7.056 6.101 -2.786 1.00 0.00 C ATOM 946 CE2 PHE A 59 6.924 6.076 -5.211 1.00 0.00 C ATOM 947 CZ PHE A 59 7.676 6.231 -4.039 1.00 0.00 C ATOM 0 H PHE A 59 0.986 3.884 -2.999 1.00 0.00 H new ATOM 0 HA PHE A 59 3.876 3.678 -2.670 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.132 5.092 -4.831 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.927 6.317 -3.595 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.216 5.707 -1.735 1.00 0.00 H new ATOM 0 HD2 PHE A 59 4.972 5.699 -6.027 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.638 6.220 -1.884 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.400 6.163 -6.176 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.732 6.450 -4.099 1.00 0.00 H new ATOM 957 N VAL A 60 2.305 3.989 -0.552 1.00 0.00 N ATOM 958 CA VAL A 60 2.106 4.558 0.771 1.00 0.00 C ATOM 959 C VAL A 60 3.488 4.958 1.252 1.00 0.00 C ATOM 960 O VAL A 60 4.434 4.198 1.053 1.00 0.00 O ATOM 961 CB VAL A 60 1.387 3.663 1.785 1.00 0.00 C ATOM 962 CG1 VAL A 60 0.311 2.764 1.179 1.00 0.00 C ATOM 963 CG2 VAL A 60 2.304 2.943 2.776 1.00 0.00 C ATOM 0 H VAL A 60 2.238 2.976 -0.646 1.00 0.00 H new ATOM 0 HA VAL A 60 1.421 5.402 0.689 1.00 0.00 H new ATOM 0 HB VAL A 60 0.840 4.376 2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.147 2.164 1.965 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.451 3.380 0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.763 2.105 0.437 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.703 2.335 3.452 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.997 2.302 2.231 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.866 3.678 3.352 1.00 0.00 H new ATOM 973 N ARG A 61 3.607 6.128 1.879 1.00 0.00 N ATOM 974 CA ARG A 61 4.872 6.592 2.415 1.00 0.00 C ATOM 975 C ARG A 61 4.692 7.062 3.829 1.00 0.00 C ATOM 976 O ARG A 61 3.762 7.788 4.175 1.00 0.00 O ATOM 977 CB ARG A 61 5.543 7.622 1.500 1.00 0.00 C ATOM 978 CG ARG A 61 6.423 8.606 2.275 1.00 0.00 C ATOM 979 CD ARG A 61 7.120 9.562 1.309 1.00 0.00 C ATOM 980 NE ARG A 61 7.896 10.571 2.046 1.00 0.00 N ATOM 981 CZ ARG A 61 9.208 10.783 1.914 1.00 0.00 C ATOM 982 NH1 ARG A 61 9.938 10.073 1.059 1.00 0.00 N ATOM 983 NH2 ARG A 61 9.809 11.716 2.645 1.00 0.00 N ATOM 0 H ARG A 61 2.830 6.773 2.026 1.00 0.00 H new ATOM 0 HA ARG A 61 5.570 5.755 2.446 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.150 7.104 0.757 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.777 8.175 0.956 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.815 9.171 2.982 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.165 8.061 2.858 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.779 9.001 0.647 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.379 10.054 0.679 1.00 0.00 H new ATOM 0 HE ARG A 61 7.391 11.156 2.712 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.497 9.351 0.489 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.939 10.250 0.973 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.268 12.271 3.308 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.811 11.877 2.543 1.00 0.00 H new ATOM 997 N PHE A 62 5.640 6.610 4.637 1.00 0.00 N ATOM 998 CA PHE A 62 5.622 6.921 6.052 1.00 0.00 C ATOM 999 C PHE A 62 6.674 7.973 6.334 1.00 0.00 C ATOM 1000 O PHE A 62 7.729 7.964 5.704 1.00 0.00 O ATOM 1001 CB PHE A 62 5.857 5.659 6.875 1.00 0.00 C ATOM 1002 CG PHE A 62 4.605 4.835 7.065 1.00 0.00 C ATOM 1003 CD1 PHE A 62 3.686 4.650 6.018 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.353 4.261 8.320 1.00 0.00 C ATOM 1005 CE1 PHE A 62 2.506 3.924 6.224 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.195 3.509 8.526 1.00 0.00 C ATOM 1007 CZ PHE A 62 2.275 3.342 7.483 1.00 0.00 C ATOM 0 H PHE A 62 6.424 6.031 4.337 1.00 0.00 H new ATOM 0 HA PHE A 62 4.646 7.315 6.336 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.616 5.049 6.385 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.253 5.937 7.851 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.892 5.072 5.045 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.056 4.401 9.128 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.785 3.813 5.428 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.009 3.056 9.489 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.380 2.761 7.647 1.00 0.00 H new ATOM 1017 N HIS A 63 6.356 8.860 7.280 1.00 0.00 N ATOM 1018 CA HIS A 63 7.182 9.975 7.720 1.00 0.00 C ATOM 1019 C HIS A 63 8.062 9.571 8.908 1.00 0.00 C ATOM 1020 O HIS A 63 8.889 10.365 9.360 1.00 0.00 O ATOM 1021 CB HIS A 63 6.243 11.108 8.134 1.00 0.00 C ATOM 1022 CG HIS A 63 5.186 10.626 9.097 1.00 0.00 C ATOM 1023 ND1 HIS A 63 5.386 9.657 10.081 1.00 0.00 N ATOM 1024 CD2 HIS A 63 3.879 11.033 9.140 1.00 0.00 C ATOM 1025 CE1 HIS A 63 4.202 9.485 10.679 1.00 0.00 C ATOM 1026 NE2 HIS A 63 3.281 10.300 10.139 1.00 0.00 N ATOM 0 H HIS A 63 5.469 8.813 7.782 1.00 0.00 H new ATOM 0 HA HIS A 63 7.842 10.288 6.912 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.820 11.909 8.596 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.766 11.528 7.249 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.412 11.780 8.515 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.013 8.789 11.483 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.303 10.365 10.422 1.00 0.00 H new ATOM 1034 N ASP A 64 7.887 8.344 9.410 1.00 0.00 N ATOM 1035 CA ASP A 64 8.600 7.853 10.576 1.00 0.00 C ATOM 1036 C ASP A 64 8.857 6.360 10.408 1.00 0.00 C ATOM 1037 O ASP A 64 7.922 5.566 10.305 1.00 0.00 O ATOM 1038 CB ASP A 64 7.777 8.133 11.834 1.00 0.00 C ATOM 1039 CG ASP A 64 8.569 7.867 13.113 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.446 6.976 13.082 1.00 0.00 O ATOM 1041 OD2 ASP A 64 8.293 8.559 14.118 1.00 0.00 O ATOM 0 H ASP A 64 7.240 7.665 9.010 1.00 0.00 H new ATOM 0 HA ASP A 64 9.558 8.363 10.677 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.444 9.171 11.824 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.882 7.511 11.827 1.00 0.00 H new ATOM 1046 N LYS A 65 10.135 5.978 10.377 1.00 0.00 N ATOM 1047 CA LYS A 65 10.545 4.594 10.195 1.00 0.00 C ATOM 1048 C LYS A 65 9.979 3.666 11.267 1.00 0.00 C ATOM 1049 O LYS A 65 9.822 2.480 11.007 1.00 0.00 O ATOM 1050 CB LYS A 65 12.075 4.529 10.179 1.00 0.00 C ATOM 1051 CG LYS A 65 12.647 4.822 11.568 1.00 0.00 C ATOM 1052 CD LYS A 65 14.089 5.309 11.475 1.00 0.00 C ATOM 1053 CE LYS A 65 14.950 4.327 10.684 1.00 0.00 C ATOM 1054 NZ LYS A 65 16.339 4.805 10.591 1.00 0.00 N ATOM 0 H LYS A 65 10.915 6.627 10.478 1.00 0.00 H new ATOM 0 HA LYS A 65 10.142 4.244 9.245 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.398 3.542 9.849 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.466 5.249 9.460 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.036 5.576 12.065 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.603 3.922 12.181 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.115 6.288 10.997 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.500 5.433 12.477 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.929 3.349 11.165 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.537 4.199 9.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.906 4.122 10.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.357 5.728 10.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.737 4.904 11.547 1.00 0.00 H new ATOM 1068 N ARG A 66 9.673 4.173 12.465 1.00 0.00 N ATOM 1069 CA ARG A 66 9.182 3.331 13.544 1.00 0.00 C ATOM 1070 C ARG A 66 7.778 2.822 13.238 1.00 0.00 C ATOM 1071 O ARG A 66 7.499 1.630 13.377 1.00 0.00 O ATOM 1072 CB ARG A 66 9.176 4.123 14.857 1.00 0.00 C ATOM 1073 CG ARG A 66 10.582 4.576 15.254 1.00 0.00 C ATOM 1074 CD ARG A 66 11.498 3.381 15.551 1.00 0.00 C ATOM 1075 NE ARG A 66 11.006 2.602 16.698 1.00 0.00 N ATOM 1076 CZ ARG A 66 10.980 1.266 16.761 1.00 0.00 C ATOM 1077 NH1 ARG A 66 11.399 0.516 15.749 1.00 0.00 N ATOM 1078 NH2 ARG A 66 10.525 0.675 17.858 1.00 0.00 N ATOM 0 H ARG A 66 9.759 5.161 12.705 1.00 0.00 H new ATOM 0 HA ARG A 66 9.845 2.471 13.642 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.529 4.994 14.753 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.755 3.507 15.651 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.012 5.174 14.451 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.523 5.218 16.133 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.559 2.739 14.672 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.508 3.736 15.756 1.00 0.00 H new ATOM 0 HE ARG A 66 10.659 3.119 17.506 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.751 0.957 14.899 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.369 -0.501 15.821 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.199 1.239 18.643 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.501 -0.343 17.916 1.00 0.00 H new ATOM 1092 N ASP A 67 6.891 3.726 12.812 1.00 0.00 N ATOM 1093 CA ASP A 67 5.538 3.342 12.448 1.00 0.00 C ATOM 1094 C ASP A 67 5.584 2.482 11.190 1.00 0.00 C ATOM 1095 O ASP A 67 4.715 1.633 10.986 1.00 0.00 O ATOM 1096 CB ASP A 67 4.691 4.595 12.201 1.00 0.00 C ATOM 1097 CG ASP A 67 4.551 5.449 13.464 1.00 0.00 C ATOM 1098 OD1 ASP A 67 4.354 4.858 14.547 1.00 0.00 O ATOM 1099 OD2 ASP A 67 4.641 6.689 13.330 1.00 0.00 O ATOM 0 H ASP A 67 7.091 4.721 12.714 1.00 0.00 H new ATOM 0 HA ASP A 67 5.087 2.771 13.260 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.146 5.190 11.409 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.702 4.301 11.850 1.00 0.00 H new ATOM 1104 N ALA A 68 6.600 2.696 10.351 1.00 0.00 N ATOM 1105 CA ALA A 68 6.754 1.940 9.125 1.00 0.00 C ATOM 1106 C ALA A 68 7.303 0.544 9.396 1.00 0.00 C ATOM 1107 O ALA A 68 6.951 -0.397 8.692 1.00 0.00 O ATOM 1108 CB ALA A 68 7.720 2.706 8.228 1.00 0.00 C ATOM 0 H ALA A 68 7.328 3.393 10.508 1.00 0.00 H new ATOM 0 HA ALA A 68 5.781 1.821 8.647 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.858 2.162 7.294 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.313 3.695 8.015 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.681 2.810 8.733 1.00 0.00 H new ATOM 1114 N GLU A 69 8.162 0.400 10.408 1.00 0.00 N ATOM 1115 CA GLU A 69 8.754 -0.882 10.755 1.00 0.00 C ATOM 1116 C GLU A 69 7.681 -1.881 11.156 1.00 0.00 C ATOM 1117 O GLU A 69 7.667 -3.001 10.649 1.00 0.00 O ATOM 1118 CB GLU A 69 9.709 -0.703 11.933 1.00 0.00 C ATOM 1119 CG GLU A 69 11.122 -0.377 11.448 1.00 0.00 C ATOM 1120 CD GLU A 69 12.093 -0.247 12.618 1.00 0.00 C ATOM 1121 OE1 GLU A 69 12.214 0.877 13.149 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.704 -1.281 12.968 1.00 0.00 O ATOM 0 H GLU A 69 8.462 1.170 11.005 1.00 0.00 H new ATOM 0 HA GLU A 69 9.288 -1.256 9.882 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.349 0.097 12.579 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.727 -1.613 12.533 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.466 -1.160 10.772 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.108 0.553 10.879 1.00 0.00 H new ATOM 1129 N ASP A 70 6.778 -1.491 12.060 1.00 0.00 N ATOM 1130 CA ASP A 70 5.787 -2.441 12.542 1.00 0.00 C ATOM 1131 C ASP A 70 4.759 -2.752 11.459 1.00 0.00 C ATOM 1132 O ASP A 70 4.377 -3.908 11.269 1.00 0.00 O ATOM 1133 CB ASP A 70 5.100 -1.884 13.787 1.00 0.00 C ATOM 1134 CG ASP A 70 6.096 -1.512 14.883 1.00 0.00 C ATOM 1135 OD1 ASP A 70 6.979 -2.351 15.172 1.00 0.00 O ATOM 1136 OD2 ASP A 70 5.973 -0.393 15.424 1.00 0.00 O ATOM 0 H ASP A 70 6.716 -0.554 12.459 1.00 0.00 H new ATOM 0 HA ASP A 70 6.293 -3.371 12.800 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.518 -1.004 13.515 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.398 -2.623 14.173 1.00 0.00 H new ATOM 1141 N ALA A 71 4.306 -1.724 10.735 1.00 0.00 N ATOM 1142 CA ALA A 71 3.339 -1.902 9.670 1.00 0.00 C ATOM 1143 C ALA A 71 3.902 -2.826 8.601 1.00 0.00 C ATOM 1144 O ALA A 71 3.224 -3.748 8.165 1.00 0.00 O ATOM 1145 CB ALA A 71 2.980 -0.537 9.077 1.00 0.00 C ATOM 0 H ALA A 71 4.601 -0.758 10.876 1.00 0.00 H new ATOM 0 HA ALA A 71 2.435 -2.360 10.070 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.253 -0.668 8.276 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.553 0.096 9.854 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.878 -0.066 8.678 1.00 0.00 H new ATOM 1151 N MET A 72 5.147 -2.589 8.175 1.00 0.00 N ATOM 1152 CA MET A 72 5.797 -3.406 7.165 1.00 0.00 C ATOM 1153 C MET A 72 5.997 -4.835 7.657 1.00 0.00 C ATOM 1154 O MET A 72 5.797 -5.781 6.898 1.00 0.00 O ATOM 1155 CB MET A 72 7.146 -2.754 6.858 1.00 0.00 C ATOM 1156 CG MET A 72 8.051 -3.659 6.023 1.00 0.00 C ATOM 1157 SD MET A 72 9.446 -2.786 5.269 1.00 0.00 S ATOM 1158 CE MET A 72 9.978 -1.771 6.675 1.00 0.00 C ATOM 0 H MET A 72 5.725 -1.825 8.525 1.00 0.00 H new ATOM 0 HA MET A 72 5.177 -3.462 6.270 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.981 -1.817 6.325 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.648 -2.505 7.793 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.433 -4.461 6.655 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.458 -4.127 5.237 1.00 0.00 H new ATOM 0 HE1 MET A 72 11.013 -1.461 6.529 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.342 -0.889 6.748 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.900 -2.352 7.594 1.00 0.00 H new ATOM 1168 N ASP A 73 6.385 -4.995 8.925 1.00 0.00 N ATOM 1169 CA ASP A 73 6.578 -6.311 9.523 1.00 0.00 C ATOM 1170 C ASP A 73 5.233 -7.022 9.721 1.00 0.00 C ATOM 1171 O ASP A 73 5.203 -8.194 10.095 1.00 0.00 O ATOM 1172 CB ASP A 73 7.319 -6.158 10.851 1.00 0.00 C ATOM 1173 CG ASP A 73 7.672 -7.512 11.463 1.00 0.00 C ATOM 1174 OD1 ASP A 73 8.419 -8.268 10.801 1.00 0.00 O ATOM 1175 OD2 ASP A 73 7.196 -7.779 12.588 1.00 0.00 O ATOM 0 H ASP A 73 6.572 -4.219 9.560 1.00 0.00 H new ATOM 0 HA ASP A 73 7.177 -6.927 8.852 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.231 -5.581 10.694 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.701 -5.594 11.549 1.00 0.00 H new ATOM 1180 N ALA A 74 4.128 -6.316 9.470 1.00 0.00 N ATOM 1181 CA ALA A 74 2.789 -6.846 9.632 1.00 0.00 C ATOM 1182 C ALA A 74 1.935 -6.674 8.368 1.00 0.00 C ATOM 1183 O ALA A 74 0.738 -6.959 8.402 1.00 0.00 O ATOM 1184 CB ALA A 74 2.146 -6.144 10.827 1.00 0.00 C ATOM 0 H ALA A 74 4.148 -5.349 9.145 1.00 0.00 H new ATOM 0 HA ALA A 74 2.850 -7.920 9.807 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.135 -6.525 10.972 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.737 -6.335 11.722 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.106 -5.071 10.640 1.00 0.00 H new ATOM 1190 N MET A 75 2.528 -6.218 7.253 1.00 0.00 N ATOM 1191 CA MET A 75 1.792 -5.994 6.014 1.00 0.00 C ATOM 1192 C MET A 75 2.518 -6.515 4.777 1.00 0.00 C ATOM 1193 O MET A 75 1.886 -6.689 3.734 1.00 0.00 O ATOM 1194 CB MET A 75 1.519 -4.498 5.833 1.00 0.00 C ATOM 1195 CG MET A 75 0.397 -4.021 6.752 1.00 0.00 C ATOM 1196 SD MET A 75 -1.200 -4.819 6.453 1.00 0.00 S ATOM 1197 CE MET A 75 -1.285 -4.605 4.659 1.00 0.00 C ATOM 0 H MET A 75 3.522 -5.998 7.192 1.00 0.00 H new ATOM 0 HA MET A 75 0.861 -6.553 6.106 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.427 -3.933 6.042 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.251 -4.298 4.795 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.691 -4.198 7.787 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.280 -2.944 6.634 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.286 -4.858 4.309 1.00 0.00 H new ATOM 0 HE2 MET A 75 -1.063 -3.568 4.405 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.557 -5.259 4.180 1.00 0.00 H new ATOM 1207 N ASP A 76 3.826 -6.770 4.851 1.00 0.00 N ATOM 1208 CA ASP A 76 4.537 -7.331 3.711 1.00 0.00 C ATOM 1209 C ASP A 76 4.030 -8.744 3.427 1.00 0.00 C ATOM 1210 O ASP A 76 4.222 -9.654 4.232 1.00 0.00 O ATOM 1211 CB ASP A 76 6.042 -7.326 3.972 1.00 0.00 C ATOM 1212 CG ASP A 76 6.803 -7.770 2.731 1.00 0.00 C ATOM 1213 OD1 ASP A 76 6.458 -7.274 1.634 1.00 0.00 O ATOM 1214 OD2 ASP A 76 7.725 -8.602 2.887 1.00 0.00 O ATOM 0 H ASP A 76 4.402 -6.599 5.675 1.00 0.00 H new ATOM 0 HA ASP A 76 4.348 -6.716 2.831 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.363 -6.326 4.263 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.274 -7.990 4.805 1.00 0.00 H new ATOM 1219 N GLY A 77 3.380 -8.930 2.274 1.00 0.00 N ATOM 1220 CA GLY A 77 2.829 -10.212 1.861 1.00 0.00 C ATOM 1221 C GLY A 77 1.581 -10.568 2.666 1.00 0.00 C ATOM 1222 O GLY A 77 1.265 -11.747 2.827 1.00 0.00 O ATOM 0 H GLY A 77 3.223 -8.183 1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.582 -10.179 0.800 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.581 -10.991 1.989 1.00 0.00 H new ATOM 1226 N ALA A 78 0.872 -9.556 3.173 1.00 0.00 N ATOM 1227 CA ALA A 78 -0.286 -9.755 4.031 1.00 0.00 C ATOM 1228 C ALA A 78 -1.578 -9.938 3.235 1.00 0.00 C ATOM 1229 O ALA A 78 -2.643 -10.064 3.828 1.00 0.00 O ATOM 1230 CB ALA A 78 -0.406 -8.572 4.988 1.00 0.00 C ATOM 0 H ALA A 78 1.090 -8.575 2.996 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.137 -10.677 4.594 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.272 -8.714 5.635 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.495 -8.504 5.598 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.527 -7.652 4.416 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.479 -9.954 1.897 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.596 -10.177 0.977 1.00 0.00 C ATOM 1238 C VAL A 79 -3.920 -9.616 1.499 1.00 0.00 C ATOM 1239 O VAL A 79 -4.828 -10.353 1.874 1.00 0.00 O ATOM 1240 CB VAL A 79 -2.652 -11.663 0.571 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -2.594 -12.610 1.767 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -3.835 -11.966 -0.327 1.00 0.00 C ATOM 0 H VAL A 79 -0.592 -9.807 1.415 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.417 -9.604 0.067 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.749 -11.847 -0.010 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.637 -13.641 1.417 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.664 -12.451 2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.439 -12.415 2.427 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.833 -13.025 -0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.760 -11.723 0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.764 -11.369 -1.236 1.00 0.00 H new ATOM 1252 N LEU A 80 -4.035 -8.285 1.527 1.00 0.00 N ATOM 1253 CA LEU A 80 -5.269 -7.620 1.933 1.00 0.00 C ATOM 1254 C LEU A 80 -6.382 -7.763 0.888 1.00 0.00 C ATOM 1255 O LEU A 80 -7.503 -7.326 1.140 1.00 0.00 O ATOM 1256 CB LEU A 80 -5.009 -6.149 2.286 1.00 0.00 C ATOM 1257 CG LEU A 80 -4.451 -5.291 1.140 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -5.457 -5.014 0.030 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -4.010 -3.940 1.694 1.00 0.00 C ATOM 0 H LEU A 80 -3.282 -7.647 1.271 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.625 -8.124 2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.942 -5.704 2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.310 -6.110 3.121 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.627 -5.862 0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.988 -4.403 -0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.788 -5.957 -0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.316 -4.483 0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.613 -3.327 0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.864 -3.436 2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.237 -4.091 2.448 1.00 0.00 H new ATOM 1271 N ASP A 81 -6.096 -8.366 -0.277 1.00 0.00 N ATOM 1272 CA ASP A 81 -7.125 -8.612 -1.272 1.00 0.00 C ATOM 1273 C ASP A 81 -7.055 -10.038 -1.816 1.00 0.00 C ATOM 1274 O ASP A 81 -8.052 -10.753 -1.771 1.00 0.00 O ATOM 1275 CB ASP A 81 -7.024 -7.593 -2.402 1.00 0.00 C ATOM 1276 CG ASP A 81 -8.105 -7.856 -3.447 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -9.248 -7.392 -3.228 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -7.786 -8.525 -4.454 1.00 0.00 O ATOM 0 H ASP A 81 -5.165 -8.686 -0.542 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.094 -8.499 -0.786 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.132 -6.584 -2.003 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.039 -7.649 -2.865 1.00 0.00 H new ATOM 1283 N GLY A 82 -5.895 -10.459 -2.332 1.00 0.00 N ATOM 1284 CA GLY A 82 -5.737 -11.830 -2.809 1.00 0.00 C ATOM 1285 C GLY A 82 -4.631 -11.950 -3.851 1.00 0.00 C ATOM 1286 O GLY A 82 -4.724 -12.771 -4.766 1.00 0.00 O ATOM 0 H GLY A 82 -5.064 -9.876 -2.428 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.513 -12.483 -1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.678 -12.175 -3.238 1.00 0.00 H new ATOM 1290 N ARG A 83 -3.590 -11.131 -3.707 1.00 0.00 N ATOM 1291 CA ARG A 83 -2.472 -11.095 -4.641 1.00 0.00 C ATOM 1292 C ARG A 83 -1.127 -10.946 -3.933 1.00 0.00 C ATOM 1293 O ARG A 83 -0.097 -11.255 -4.527 1.00 0.00 O ATOM 1294 CB ARG A 83 -2.687 -9.931 -5.599 1.00 0.00 C ATOM 1295 CG ARG A 83 -2.887 -8.655 -4.780 1.00 0.00 C ATOM 1296 CD ARG A 83 -2.740 -7.385 -5.605 1.00 0.00 C ATOM 1297 NE ARG A 83 -1.624 -7.441 -6.559 1.00 0.00 N ATOM 1298 CZ ARG A 83 -1.719 -7.816 -7.837 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -2.876 -8.212 -8.362 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -0.631 -7.799 -8.602 1.00 0.00 N ATOM 0 H ARG A 83 -3.501 -10.471 -2.934 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.441 -12.042 -5.179 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.829 -9.824 -6.263 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.557 -10.116 -6.230 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.878 -8.673 -4.327 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.164 -8.637 -3.965 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.667 -7.204 -6.150 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.594 -6.538 -4.934 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.702 -7.171 -6.217 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.717 -8.234 -7.785 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.922 -8.494 -9.341 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.263 -7.502 -8.211 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.691 -8.083 -9.580 1.00 0.00 H new ATOM 1314 N GLU A 84 -1.149 -10.471 -2.681 1.00 0.00 N ATOM 1315 CA GLU A 84 -0.044 -10.456 -1.728 1.00 0.00 C ATOM 1316 C GLU A 84 0.636 -9.087 -1.725 1.00 0.00 C ATOM 1317 O GLU A 84 1.578 -8.842 -2.471 1.00 0.00 O ATOM 1318 CB GLU A 84 0.930 -11.621 -1.931 1.00 0.00 C ATOM 1319 CG GLU A 84 1.108 -12.370 -0.613 1.00 0.00 C ATOM 1320 CD GLU A 84 2.257 -13.372 -0.692 1.00 0.00 C ATOM 1321 OE1 GLU A 84 3.425 -12.921 -0.636 1.00 0.00 O ATOM 1322 OE2 GLU A 84 1.963 -14.580 -0.813 1.00 0.00 O ATOM 0 H GLU A 84 -1.996 -10.062 -2.286 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.455 -10.615 -0.731 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.551 -12.297 -2.697 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.892 -11.248 -2.283 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.299 -11.657 0.189 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.185 -12.892 -0.362 1.00 0.00 H new ATOM 1329 N LEU A 85 0.133 -8.201 -0.862 1.00 0.00 N ATOM 1330 CA LEU A 85 0.628 -6.849 -0.657 1.00 0.00 C ATOM 1331 C LEU A 85 2.150 -6.848 -0.493 1.00 0.00 C ATOM 1332 O LEU A 85 2.732 -7.859 -0.104 1.00 0.00 O ATOM 1333 CB LEU A 85 -0.097 -6.315 0.590 1.00 0.00 C ATOM 1334 CG LEU A 85 -0.397 -4.812 0.637 1.00 0.00 C ATOM 1335 CD1 LEU A 85 0.852 -3.951 0.748 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -1.190 -4.353 -0.578 1.00 0.00 C ATOM 0 H LEU A 85 -0.664 -8.421 -0.265 1.00 0.00 H new ATOM 0 HA LEU A 85 0.427 -6.207 -1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.041 -6.851 0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.504 -6.567 1.464 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.990 -4.677 1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.567 -2.899 0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.390 -4.206 1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.495 -4.130 -0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.381 -3.282 -0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.619 -4.559 -1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.138 -4.889 -0.617 1.00 0.00 H new ATOM 1348 N ARG A 86 2.804 -5.726 -0.785 1.00 0.00 N ATOM 1349 CA ARG A 86 4.252 -5.599 -0.674 1.00 0.00 C ATOM 1350 C ARG A 86 4.603 -4.339 0.095 1.00 0.00 C ATOM 1351 O ARG A 86 4.001 -3.288 -0.126 1.00 0.00 O ATOM 1352 CB ARG A 86 4.871 -5.517 -2.069 1.00 0.00 C ATOM 1353 CG ARG A 86 4.643 -6.782 -2.896 1.00 0.00 C ATOM 1354 CD ARG A 86 5.355 -7.963 -2.242 1.00 0.00 C ATOM 1355 NE ARG A 86 5.178 -9.195 -3.020 1.00 0.00 N ATOM 1356 CZ ARG A 86 4.769 -10.358 -2.505 1.00 0.00 C ATOM 1357 NH1 ARG A 86 4.469 -10.468 -1.213 1.00 0.00 N ATOM 1358 NH2 ARG A 86 4.656 -11.433 -3.284 1.00 0.00 N ATOM 0 H ARG A 86 2.340 -4.876 -1.107 1.00 0.00 H new ATOM 0 HA ARG A 86 4.642 -6.470 -0.147 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.450 -4.662 -2.598 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.942 -5.338 -1.976 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.576 -6.988 -2.976 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.016 -6.637 -3.910 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.418 -7.741 -2.147 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.968 -8.109 -1.234 1.00 0.00 H new ATOM 0 HE ARG A 86 5.380 -9.161 -4.019 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.550 -9.657 -0.600 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.158 -11.363 -0.836 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.882 -11.370 -4.277 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.344 -12.319 -2.888 1.00 0.00 H new ATOM 1372 N VAL A 87 5.580 -4.436 0.997 1.00 0.00 N ATOM 1373 CA VAL A 87 5.985 -3.297 1.807 1.00 0.00 C ATOM 1374 C VAL A 87 7.497 -3.268 1.964 1.00 0.00 C ATOM 1375 O VAL A 87 8.132 -4.299 2.189 1.00 0.00 O ATOM 1376 CB VAL A 87 5.307 -3.378 3.174 1.00 0.00 C ATOM 1377 CG1 VAL A 87 5.520 -2.062 3.909 1.00 0.00 C ATOM 1378 CG2 VAL A 87 3.816 -3.697 3.073 1.00 0.00 C ATOM 0 H VAL A 87 6.102 -5.292 1.182 1.00 0.00 H new ATOM 0 HA VAL A 87 5.678 -2.377 1.310 1.00 0.00 H new ATOM 0 HB VAL A 87 5.761 -4.199 3.728 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.040 -2.109 4.886 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.588 -1.886 4.038 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.085 -1.247 3.330 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.385 -3.743 4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.316 -2.918 2.497 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.682 -4.658 2.576 1.00 0.00 H new ATOM 1388 N GLN A 88 8.067 -2.067 1.843 1.00 0.00 N ATOM 1389 CA GLN A 88 9.502 -1.847 1.905 1.00 0.00 C ATOM 1390 C GLN A 88 9.812 -0.359 2.012 1.00 0.00 C ATOM 1391 O GLN A 88 9.057 0.481 1.534 1.00 0.00 O ATOM 1392 CB GLN A 88 10.158 -2.426 0.648 1.00 0.00 C ATOM 1393 CG GLN A 88 9.440 -1.997 -0.634 1.00 0.00 C ATOM 1394 CD GLN A 88 10.183 -2.451 -1.884 1.00 0.00 C ATOM 1395 OE1 GLN A 88 11.401 -2.599 -1.884 1.00 0.00 O ATOM 1396 NE2 GLN A 88 9.452 -2.683 -2.970 1.00 0.00 N ATOM 0 H GLN A 88 7.531 -1.211 1.697 1.00 0.00 H new ATOM 0 HA GLN A 88 9.899 -2.346 2.789 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.199 -2.105 0.603 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.163 -3.514 0.712 1.00 0.00 H new ATOM 0 HG2 GLN A 88 8.432 -2.412 -0.641 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.338 -0.912 -0.647 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.441 -2.552 -2.942 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.902 -2.992 -3.831 1.00 0.00 H new ATOM 1405 N MET A 89 10.937 -0.019 2.643 1.00 0.00 N ATOM 1406 CA MET A 89 11.405 1.351 2.750 1.00 0.00 C ATOM 1407 C MET A 89 11.496 2.001 1.369 1.00 0.00 C ATOM 1408 O MET A 89 11.946 1.378 0.405 1.00 0.00 O ATOM 1409 CB MET A 89 12.764 1.342 3.446 1.00 0.00 C ATOM 1410 CG MET A 89 12.551 0.994 4.918 1.00 0.00 C ATOM 1411 SD MET A 89 11.981 2.396 5.907 1.00 0.00 S ATOM 1412 CE MET A 89 11.277 1.490 7.306 1.00 0.00 C ATOM 0 H MET A 89 11.549 -0.697 3.096 1.00 0.00 H new ATOM 0 HA MET A 89 10.700 1.941 3.336 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.426 0.614 2.976 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.244 2.316 3.352 1.00 0.00 H new ATOM 0 HG2 MET A 89 11.823 0.186 4.992 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.486 0.620 5.335 1.00 0.00 H new ATOM 0 HE1 MET A 89 11.425 2.063 8.222 1.00 0.00 H new ATOM 0 HE2 MET A 89 10.210 1.338 7.141 1.00 0.00 H new ATOM 0 HE3 MET A 89 11.771 0.523 7.399 1.00 0.00 H new ATOM 1422 N ALA A 90 11.068 3.261 1.275 1.00 0.00 N ATOM 1423 CA ALA A 90 11.088 4.026 0.041 1.00 0.00 C ATOM 1424 C ALA A 90 12.493 4.521 -0.294 1.00 0.00 C ATOM 1425 O ALA A 90 12.720 4.985 -1.406 1.00 0.00 O ATOM 1426 CB ALA A 90 10.136 5.209 0.182 1.00 0.00 C ATOM 0 H ALA A 90 10.694 3.780 2.069 1.00 0.00 H new ATOM 0 HA ALA A 90 10.769 3.378 -0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.142 5.792 -0.739 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.127 4.843 0.374 1.00 0.00 H new ATOM 0 HB3 ALA A 90 10.458 5.838 1.012 1.00 0.00 H new