USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 504 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 Single : A 17 SER OG : rot 180:sc= -0.56 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.007) USER MOD Single : A 35 GLN : amide:sc= -0.389 X(o=-0.39,f=-0.012) USER MOD Single : A 37 GLN : amide:sc= -0.0568 K(o=-0.057,f=-4.3!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 95:sc= 1.04 USER MOD Single : A 72 SER OG : rot 65:sc= 0.568 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0.057) USER MOD Single : A 74 GLN : amide:sc= -0.0612 X(o=-0.061,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0249 USER MOD Single : A 92 GLN : amide:sc= -0.0688 X(o=-0.069,f=-0.32) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -122:sc= -0.352 (180deg=-1.15) USER MOD Single : A 98 GLN : amide:sc= -0.115 X(o=-0.11,f=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N PRO A 16 -1.320 23.196 -9.095 1.00 0.00 N ATOM 211 CA PRO A 16 -1.477 21.924 -9.842 1.00 0.00 C ATOM 212 C PRO A 16 -2.425 22.113 -11.022 1.00 0.00 C ATOM 213 O PRO A 16 -3.588 21.761 -10.971 1.00 0.00 O ATOM 214 CB PRO A 16 -2.037 20.957 -8.799 1.00 0.00 C ATOM 215 CG PRO A 16 -2.671 21.839 -7.779 1.00 0.00 C ATOM 216 CD PRO A 16 -1.806 23.069 -7.712 1.00 0.00 C ATOM 0 HA PRO A 16 -0.547 21.556 -10.277 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.763 20.274 -9.240 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.249 20.345 -8.361 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.693 22.093 -8.062 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.723 21.343 -6.810 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.372 23.946 -7.399 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.986 22.950 -7.004 1.00 0.00 H new ATOM 224 N SER A 17 -1.923 22.698 -12.080 1.00 0.00 N ATOM 225 CA SER A 17 -2.762 22.952 -13.290 1.00 0.00 C ATOM 226 C SER A 17 -3.767 24.041 -12.958 1.00 0.00 C ATOM 227 O SER A 17 -4.948 23.922 -13.214 1.00 0.00 O ATOM 228 CB SER A 17 -3.470 21.632 -13.614 1.00 0.00 C ATOM 229 OG SER A 17 -2.620 20.544 -13.275 1.00 0.00 O ATOM 0 H SER A 17 -0.956 23.014 -12.157 1.00 0.00 H new ATOM 0 HA SER A 17 -2.173 23.281 -14.146 1.00 0.00 H new ATOM 0 HB2 SER A 17 -4.406 21.563 -13.059 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.724 21.593 -14.673 1.00 0.00 H new ATOM 0 HG SER A 17 -3.072 19.699 -13.480 1.00 0.00 H new ATOM 235 N ALA A 18 -3.284 25.104 -12.377 1.00 0.00 N ATOM 236 CA ALA A 18 -4.175 26.235 -11.994 1.00 0.00 C ATOM 237 C ALA A 18 -5.441 25.717 -11.298 1.00 0.00 C ATOM 238 O ALA A 18 -6.485 26.337 -11.351 1.00 0.00 O ATOM 239 CB ALA A 18 -4.518 26.914 -13.315 1.00 0.00 C ATOM 0 H ALA A 18 -2.299 25.239 -12.149 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.700 26.919 -11.290 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.175 27.763 -13.128 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -3.603 27.262 -13.794 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.022 26.203 -13.969 1.00 0.00 H new ATOM 245 N ASP A 19 -5.356 24.583 -10.647 1.00 0.00 N ATOM 246 CA ASP A 19 -6.557 24.034 -9.953 1.00 0.00 C ATOM 247 C ASP A 19 -6.149 22.948 -8.956 1.00 0.00 C ATOM 248 O ASP A 19 -5.613 21.926 -9.335 1.00 0.00 O ATOM 249 CB ASP A 19 -7.426 23.445 -11.065 1.00 0.00 C ATOM 250 CG ASP A 19 -8.488 24.465 -11.480 1.00 0.00 C ATOM 251 OD1 ASP A 19 -9.404 24.685 -10.704 1.00 0.00 O ATOM 252 OD2 ASP A 19 -8.367 25.010 -12.565 1.00 0.00 O ATOM 0 H ASP A 19 -4.511 24.018 -10.567 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.087 24.799 -9.385 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.807 23.180 -11.922 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.903 22.528 -10.720 1.00 0.00 H new ATOM 257 N PRO A 20 -6.423 23.211 -7.705 1.00 0.00 N ATOM 258 CA PRO A 20 -6.083 22.245 -6.636 1.00 0.00 C ATOM 259 C PRO A 20 -7.054 21.063 -6.668 1.00 0.00 C ATOM 260 O PRO A 20 -6.676 19.930 -6.438 1.00 0.00 O ATOM 261 CB PRO A 20 -6.258 23.056 -5.359 1.00 0.00 C ATOM 262 CG PRO A 20 -7.235 24.129 -5.708 1.00 0.00 C ATOM 263 CD PRO A 20 -7.065 24.420 -7.173 1.00 0.00 C ATOM 0 HA PRO A 20 -5.083 21.823 -6.734 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -6.630 22.434 -4.545 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -5.310 23.479 -5.028 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.254 23.807 -5.495 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.053 25.024 -5.113 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.024 24.608 -7.656 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -6.448 25.304 -7.335 1.00 0.00 H new ATOM 271 N GLU A 21 -8.302 21.318 -6.956 1.00 0.00 N ATOM 272 CA GLU A 21 -9.301 20.212 -7.007 1.00 0.00 C ATOM 273 C GLU A 21 -8.921 19.218 -8.107 1.00 0.00 C ATOM 274 O GLU A 21 -8.987 18.018 -7.922 1.00 0.00 O ATOM 275 CB GLU A 21 -10.632 20.890 -7.334 1.00 0.00 C ATOM 276 CG GLU A 21 -11.779 19.902 -7.111 1.00 0.00 C ATOM 277 CD GLU A 21 -12.912 20.203 -8.092 1.00 0.00 C ATOM 278 OE1 GLU A 21 -13.470 21.285 -8.008 1.00 0.00 O ATOM 279 OE2 GLU A 21 -13.203 19.348 -8.912 1.00 0.00 O ATOM 0 H GLU A 21 -8.673 22.246 -7.158 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.351 19.654 -6.072 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.768 21.769 -6.704 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.632 21.235 -8.368 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.425 18.881 -7.251 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.142 19.976 -6.086 1.00 0.00 H new ATOM 286 N LEU A 22 -8.518 19.709 -9.249 1.00 0.00 N ATOM 287 CA LEU A 22 -8.127 18.793 -10.360 1.00 0.00 C ATOM 288 C LEU A 22 -6.922 17.949 -9.943 1.00 0.00 C ATOM 289 O LEU A 22 -6.776 16.814 -10.354 1.00 0.00 O ATOM 290 CB LEU A 22 -7.761 19.711 -11.527 1.00 0.00 C ATOM 291 CG LEU A 22 -8.985 19.915 -12.420 1.00 0.00 C ATOM 292 CD1 LEU A 22 -8.947 21.318 -13.029 1.00 0.00 C ATOM 293 CD2 LEU A 22 -8.975 18.874 -13.543 1.00 0.00 C ATOM 0 H LEU A 22 -8.443 20.704 -9.460 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.926 18.101 -10.626 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.408 20.671 -11.151 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.945 19.275 -12.104 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.891 19.802 -11.824 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.820 21.462 -13.665 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.953 22.061 -12.232 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.041 21.432 -13.625 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.847 19.018 -14.181 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.068 18.988 -14.137 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.002 17.873 -13.112 1.00 0.00 H new ATOM 305 N ALA A 23 -6.061 18.493 -9.125 1.00 0.00 N ATOM 306 CA ALA A 23 -4.865 17.719 -8.677 1.00 0.00 C ATOM 307 C ALA A 23 -5.304 16.498 -7.864 1.00 0.00 C ATOM 308 O ALA A 23 -4.996 15.371 -8.201 1.00 0.00 O ATOM 309 CB ALA A 23 -4.068 18.688 -7.801 1.00 0.00 C ATOM 0 H ALA A 23 -6.133 19.438 -8.748 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.274 17.350 -9.515 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.171 18.191 -7.432 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.784 19.561 -8.389 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.681 19.003 -6.957 1.00 0.00 H new ATOM 315 N LEU A 24 -6.026 16.715 -6.796 1.00 0.00 N ATOM 316 CA LEU A 24 -6.490 15.569 -5.960 1.00 0.00 C ATOM 317 C LEU A 24 -7.381 14.639 -6.789 1.00 0.00 C ATOM 318 O LEU A 24 -7.430 13.446 -6.563 1.00 0.00 O ATOM 319 CB LEU A 24 -7.289 16.203 -4.821 1.00 0.00 C ATOM 320 CG LEU A 24 -7.059 15.410 -3.533 1.00 0.00 C ATOM 321 CD1 LEU A 24 -5.601 15.556 -3.094 1.00 0.00 C ATOM 322 CD2 LEU A 24 -7.978 15.947 -2.433 1.00 0.00 C ATOM 0 H LEU A 24 -6.314 17.636 -6.467 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.661 14.968 -5.587 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.984 17.240 -4.682 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -8.350 16.214 -5.069 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.280 14.358 -3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.439 14.991 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.945 15.174 -3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.378 16.608 -2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.815 15.383 -1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.757 17.000 -2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.017 15.842 -2.744 1.00 0.00 H new ATOM 334 N ALA A 25 -8.083 15.179 -7.752 1.00 0.00 N ATOM 335 CA ALA A 25 -8.968 14.328 -8.600 1.00 0.00 C ATOM 336 C ALA A 25 -8.130 13.296 -9.358 1.00 0.00 C ATOM 337 O ALA A 25 -8.458 12.126 -9.399 1.00 0.00 O ATOM 338 CB ALA A 25 -9.639 15.295 -9.577 1.00 0.00 C ATOM 0 H ALA A 25 -8.081 16.172 -7.987 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.700 13.777 -8.010 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.307 14.741 -10.236 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.211 16.037 -9.020 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.877 15.798 -10.173 1.00 0.00 H new ATOM 344 N LEU A 26 -7.048 13.721 -9.955 1.00 0.00 N ATOM 345 CA LEU A 26 -6.186 12.764 -10.708 1.00 0.00 C ATOM 346 C LEU A 26 -5.559 11.751 -9.745 1.00 0.00 C ATOM 347 O LEU A 26 -5.196 10.657 -10.132 1.00 0.00 O ATOM 348 CB LEU A 26 -5.104 13.626 -11.362 1.00 0.00 C ATOM 349 CG LEU A 26 -4.842 13.124 -12.783 1.00 0.00 C ATOM 350 CD1 LEU A 26 -3.840 14.050 -13.476 1.00 0.00 C ATOM 351 CD2 LEU A 26 -4.268 11.705 -12.725 1.00 0.00 C ATOM 0 H LEU A 26 -6.724 14.688 -9.954 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.750 12.195 -11.447 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.420 14.669 -11.386 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.186 13.584 -10.775 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.777 13.116 -13.343 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.654 13.692 -14.488 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.247 15.060 -13.518 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.905 14.058 -12.916 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.081 11.346 -13.737 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.333 11.713 -12.164 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.981 11.044 -12.232 1.00 0.00 H new ATOM 363 N ARG A 27 -5.441 12.103 -8.491 1.00 0.00 N ATOM 364 CA ARG A 27 -4.852 11.155 -7.505 1.00 0.00 C ATOM 365 C ARG A 27 -5.906 10.123 -7.114 1.00 0.00 C ATOM 366 O ARG A 27 -5.599 8.990 -6.801 1.00 0.00 O ATOM 367 CB ARG A 27 -4.463 12.016 -6.302 1.00 0.00 C ATOM 368 CG ARG A 27 -3.785 11.139 -5.246 1.00 0.00 C ATOM 369 CD ARG A 27 -2.967 12.021 -4.299 1.00 0.00 C ATOM 370 NE ARG A 27 -1.814 11.174 -3.885 1.00 0.00 N ATOM 371 CZ ARG A 27 -0.606 11.482 -4.273 1.00 0.00 C ATOM 372 NH1 ARG A 27 -0.385 11.822 -5.512 1.00 0.00 N ATOM 373 NH2 ARG A 27 0.381 11.448 -3.419 1.00 0.00 N ATOM 0 H ARG A 27 -5.727 13.005 -8.110 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.992 10.614 -7.899 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -3.789 12.814 -6.615 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.348 12.493 -5.881 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.535 10.582 -4.684 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.138 10.406 -5.728 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -2.630 12.930 -4.798 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.559 12.331 -3.438 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.968 10.354 -3.299 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -1.156 11.848 -6.179 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.559 12.062 -5.814 1.00 0.00 H new ATOM 0 HH21 ARG A 27 0.208 11.181 -2.450 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.325 11.688 -3.721 1.00 0.00 H new ATOM 387 N VAL A 28 -7.153 10.512 -7.143 1.00 0.00 N ATOM 388 CA VAL A 28 -8.238 9.559 -6.787 1.00 0.00 C ATOM 389 C VAL A 28 -8.379 8.512 -7.892 1.00 0.00 C ATOM 390 O VAL A 28 -8.732 7.375 -7.646 1.00 0.00 O ATOM 391 CB VAL A 28 -9.505 10.413 -6.682 1.00 0.00 C ATOM 392 CG1 VAL A 28 -10.699 9.518 -6.343 1.00 0.00 C ATOM 393 CG2 VAL A 28 -9.326 11.459 -5.579 1.00 0.00 C ATOM 0 H VAL A 28 -7.465 11.449 -7.398 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.040 9.025 -5.858 1.00 0.00 H new ATOM 0 HB VAL A 28 -9.684 10.913 -7.634 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -11.600 10.127 -6.268 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -10.829 8.772 -7.127 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.520 9.017 -5.392 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.228 12.067 -5.504 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.146 10.958 -4.628 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.476 12.098 -5.818 1.00 0.00 H new ATOM 403 N SER A 29 -8.096 8.889 -9.112 1.00 0.00 N ATOM 404 CA SER A 29 -8.202 7.921 -10.241 1.00 0.00 C ATOM 405 C SER A 29 -7.025 6.944 -10.199 1.00 0.00 C ATOM 406 O SER A 29 -7.168 5.773 -10.491 1.00 0.00 O ATOM 407 CB SER A 29 -8.145 8.777 -11.507 1.00 0.00 C ATOM 408 OG SER A 29 -9.462 8.958 -12.010 1.00 0.00 O ATOM 0 H SER A 29 -7.796 9.828 -9.374 1.00 0.00 H new ATOM 0 HA SER A 29 -9.115 7.327 -10.196 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.691 9.743 -11.287 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.519 8.295 -12.258 1.00 0.00 H new ATOM 0 HG SER A 29 -9.430 9.508 -12.821 1.00 0.00 H new ATOM 414 N MET A 30 -5.865 7.419 -9.832 1.00 0.00 N ATOM 415 CA MET A 30 -4.677 6.518 -9.763 1.00 0.00 C ATOM 416 C MET A 30 -4.920 5.416 -8.729 1.00 0.00 C ATOM 417 O MET A 30 -4.671 4.251 -8.977 1.00 0.00 O ATOM 418 CB MET A 30 -3.518 7.416 -9.329 1.00 0.00 C ATOM 419 CG MET A 30 -2.830 7.995 -10.567 1.00 0.00 C ATOM 420 SD MET A 30 -1.131 8.460 -10.149 1.00 0.00 S ATOM 421 CE MET A 30 -0.583 8.850 -11.828 1.00 0.00 C ATOM 0 H MET A 30 -5.688 8.391 -9.577 1.00 0.00 H new ATOM 0 HA MET A 30 -4.472 6.027 -10.714 1.00 0.00 H new ATOM 0 HB2 MET A 30 -3.886 8.222 -8.694 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.803 6.845 -8.736 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.830 7.261 -11.373 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.378 8.865 -10.928 1.00 0.00 H new ATOM 0 HE1 MET A 30 0.460 9.166 -11.806 1.00 0.00 H new ATOM 0 HE2 MET A 30 -0.681 7.965 -12.457 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.198 9.654 -12.234 1.00 0.00 H new ATOM 431 N GLU A 31 -5.411 5.775 -7.572 1.00 0.00 N ATOM 432 CA GLU A 31 -5.679 4.750 -6.521 1.00 0.00 C ATOM 433 C GLU A 31 -6.718 3.746 -7.025 1.00 0.00 C ATOM 434 O GLU A 31 -6.575 2.549 -6.855 1.00 0.00 O ATOM 435 CB GLU A 31 -6.225 5.534 -5.327 1.00 0.00 C ATOM 436 CG GLU A 31 -6.427 4.587 -4.142 1.00 0.00 C ATOM 437 CD GLU A 31 -6.359 5.381 -2.836 1.00 0.00 C ATOM 438 OE1 GLU A 31 -7.136 6.311 -2.691 1.00 0.00 O ATOM 439 OE2 GLU A 31 -5.531 5.048 -2.005 1.00 0.00 O ATOM 0 H GLU A 31 -5.638 6.734 -7.310 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.786 4.183 -6.257 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.533 6.331 -5.055 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.170 6.009 -5.592 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.391 4.085 -4.225 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.661 3.811 -4.148 1.00 0.00 H new ATOM 446 N GLU A 32 -7.761 4.225 -7.650 1.00 0.00 N ATOM 447 CA GLU A 32 -8.811 3.301 -8.172 1.00 0.00 C ATOM 448 C GLU A 32 -8.197 2.335 -9.187 1.00 0.00 C ATOM 449 O GLU A 32 -8.616 1.201 -9.310 1.00 0.00 O ATOM 450 CB GLU A 32 -9.842 4.208 -8.847 1.00 0.00 C ATOM 451 CG GLU A 32 -11.027 4.433 -7.903 1.00 0.00 C ATOM 452 CD GLU A 32 -12.328 4.035 -8.605 1.00 0.00 C ATOM 453 OE1 GLU A 32 -12.341 2.989 -9.234 1.00 0.00 O ATOM 454 OE2 GLU A 32 -13.287 4.782 -8.503 1.00 0.00 O ATOM 0 H GLU A 32 -7.931 5.216 -7.822 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.260 2.696 -7.385 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.386 5.163 -9.107 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.186 3.755 -9.777 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.898 3.844 -6.995 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.071 5.480 -7.601 1.00 0.00 H new ATOM 461 N GLN A 33 -7.203 2.776 -9.913 1.00 0.00 N ATOM 462 CA GLN A 33 -6.557 1.881 -10.917 1.00 0.00 C ATOM 463 C GLN A 33 -5.867 0.716 -10.206 1.00 0.00 C ATOM 464 O GLN A 33 -5.936 -0.416 -10.641 1.00 0.00 O ATOM 465 CB GLN A 33 -5.531 2.758 -11.637 1.00 0.00 C ATOM 466 CG GLN A 33 -5.510 2.399 -13.125 1.00 0.00 C ATOM 467 CD GLN A 33 -4.118 2.672 -13.697 1.00 0.00 C ATOM 468 OE1 GLN A 33 -3.562 3.733 -13.491 1.00 0.00 O ATOM 469 NE2 GLN A 33 -3.527 1.754 -14.412 1.00 0.00 N ATOM 0 H GLN A 33 -6.811 3.716 -9.854 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.277 1.451 -11.614 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.783 3.811 -11.509 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -4.542 2.612 -11.202 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.771 1.349 -13.260 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -6.256 2.985 -13.662 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.993 0.864 -14.585 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.599 1.927 -14.798 1.00 0.00 H new ATOM 478 N ARG A 34 -5.207 0.985 -9.109 1.00 0.00 N ATOM 479 CA ARG A 34 -4.519 -0.112 -8.365 1.00 0.00 C ATOM 480 C ARG A 34 -5.543 -1.160 -7.925 1.00 0.00 C ATOM 481 O ARG A 34 -5.352 -2.345 -8.111 1.00 0.00 O ATOM 482 CB ARG A 34 -3.881 0.560 -7.146 1.00 0.00 C ATOM 483 CG ARG A 34 -2.392 0.211 -7.088 1.00 0.00 C ATOM 484 CD ARG A 34 -1.620 1.094 -8.071 1.00 0.00 C ATOM 485 NE ARG A 34 -0.344 0.368 -8.319 1.00 0.00 N ATOM 486 CZ ARG A 34 -0.266 -0.499 -9.291 1.00 0.00 C ATOM 487 NH1 ARG A 34 -0.573 -1.749 -9.076 1.00 0.00 N ATOM 488 NH2 ARG A 34 0.120 -0.117 -10.477 1.00 0.00 N ATOM 0 H ARG A 34 -5.115 1.914 -8.697 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.774 -0.622 -8.976 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.009 1.641 -7.205 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.378 0.229 -6.234 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.013 0.357 -6.077 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.245 -0.840 -7.335 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.179 1.237 -8.996 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.436 2.084 -7.653 1.00 0.00 H new ATOM 0 HE ARG A 34 0.469 0.548 -7.729 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.874 -2.048 -8.148 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.512 -2.427 -9.836 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.361 0.860 -10.645 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.181 -0.795 -11.237 1.00 0.00 H new ATOM 502 N GLN A 35 -6.634 -0.728 -7.346 1.00 0.00 N ATOM 503 CA GLN A 35 -7.679 -1.698 -6.901 1.00 0.00 C ATOM 504 C GLN A 35 -8.139 -2.544 -8.090 1.00 0.00 C ATOM 505 O GLN A 35 -8.532 -3.684 -7.938 1.00 0.00 O ATOM 506 CB GLN A 35 -8.830 -0.836 -6.378 1.00 0.00 C ATOM 507 CG GLN A 35 -8.456 -0.254 -5.014 1.00 0.00 C ATOM 508 CD GLN A 35 -9.502 0.781 -4.597 1.00 0.00 C ATOM 509 OE1 GLN A 35 -10.475 0.452 -3.948 1.00 0.00 O ATOM 510 NE2 GLN A 35 -9.342 2.029 -4.944 1.00 0.00 N ATOM 0 H GLN A 35 -6.846 0.253 -7.162 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.312 -2.384 -6.138 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -9.044 -0.032 -7.082 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.737 -1.435 -6.293 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.399 -1.049 -4.271 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -7.470 0.209 -5.062 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -8.525 2.306 -5.489 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -10.033 2.727 -4.670 1.00 0.00 H new ATOM 519 N ARG A 36 -8.085 -1.992 -9.272 1.00 0.00 N ATOM 520 CA ARG A 36 -8.509 -2.759 -10.478 1.00 0.00 C ATOM 521 C ARG A 36 -7.408 -3.743 -10.879 1.00 0.00 C ATOM 522 O ARG A 36 -7.671 -4.883 -11.211 1.00 0.00 O ATOM 523 CB ARG A 36 -8.714 -1.703 -11.568 1.00 0.00 C ATOM 524 CG ARG A 36 -10.065 -1.925 -12.252 1.00 0.00 C ATOM 525 CD ARG A 36 -10.740 -0.575 -12.508 1.00 0.00 C ATOM 526 NE ARG A 36 -12.197 -0.839 -12.362 1.00 0.00 N ATOM 527 CZ ARG A 36 -12.813 -0.507 -11.260 1.00 0.00 C ATOM 528 NH1 ARG A 36 -12.400 -0.976 -10.115 1.00 0.00 N ATOM 529 NH2 ARG A 36 -13.842 0.293 -11.304 1.00 0.00 N ATOM 0 H ARG A 36 -7.765 -1.041 -9.455 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.414 -3.342 -10.307 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.675 -0.704 -11.133 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.910 -1.762 -12.301 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.924 -2.457 -13.193 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.703 -2.549 -11.626 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.402 0.177 -11.795 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.505 -0.199 -13.504 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.714 -1.279 -13.123 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.596 -1.602 -10.081 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.881 -0.716 -9.254 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.165 0.659 -12.199 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.323 0.552 -10.443 1.00 0.00 H new ATOM 543 N GLN A 37 -6.175 -3.312 -10.844 1.00 0.00 N ATOM 544 CA GLN A 37 -5.053 -4.222 -11.215 1.00 0.00 C ATOM 545 C GLN A 37 -4.968 -5.378 -10.216 1.00 0.00 C ATOM 546 O GLN A 37 -4.557 -6.470 -10.549 1.00 0.00 O ATOM 547 CB GLN A 37 -3.794 -3.356 -11.142 1.00 0.00 C ATOM 548 CG GLN A 37 -2.699 -3.970 -12.017 1.00 0.00 C ATOM 549 CD GLN A 37 -1.817 -4.885 -11.166 1.00 0.00 C ATOM 550 OE1 GLN A 37 -1.073 -4.421 -10.324 1.00 0.00 O ATOM 551 NE2 GLN A 37 -1.867 -6.176 -11.351 1.00 0.00 N ATOM 0 H GLN A 37 -5.897 -2.369 -10.574 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.185 -4.660 -12.204 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -4.017 -2.343 -11.478 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.450 -3.282 -10.110 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.147 -4.536 -12.834 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.095 -3.183 -12.468 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.491 -6.566 -12.057 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.282 -6.795 -10.789 1.00 0.00 H new ATOM 560 N GLU A 38 -5.365 -5.143 -8.994 1.00 0.00 N ATOM 561 CA GLU A 38 -5.323 -6.221 -7.965 1.00 0.00 C ATOM 562 C GLU A 38 -6.577 -7.085 -8.079 1.00 0.00 C ATOM 563 O GLU A 38 -6.501 -8.284 -8.262 1.00 0.00 O ATOM 564 CB GLU A 38 -5.292 -5.492 -6.621 1.00 0.00 C ATOM 565 CG GLU A 38 -4.785 -6.445 -5.536 1.00 0.00 C ATOM 566 CD GLU A 38 -4.794 -5.729 -4.184 1.00 0.00 C ATOM 567 OE1 GLU A 38 -3.904 -4.927 -3.955 1.00 0.00 O ATOM 568 OE2 GLU A 38 -5.690 -5.996 -3.400 1.00 0.00 O ATOM 0 H GLU A 38 -5.719 -4.245 -8.663 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.462 -6.879 -8.083 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.644 -4.618 -6.684 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.289 -5.132 -6.367 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.415 -7.333 -5.493 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.776 -6.781 -5.775 1.00 0.00 H new ATOM 575 N GLU A 39 -7.736 -6.480 -7.986 1.00 0.00 N ATOM 576 CA GLU A 39 -9.000 -7.265 -8.107 1.00 0.00 C ATOM 577 C GLU A 39 -8.965 -8.080 -9.399 1.00 0.00 C ATOM 578 O GLU A 39 -9.495 -9.172 -9.476 1.00 0.00 O ATOM 579 CB GLU A 39 -10.119 -6.222 -8.156 1.00 0.00 C ATOM 580 CG GLU A 39 -10.475 -5.782 -6.733 1.00 0.00 C ATOM 581 CD GLU A 39 -11.888 -6.260 -6.386 1.00 0.00 C ATOM 582 OE1 GLU A 39 -12.045 -7.440 -6.120 1.00 0.00 O ATOM 583 OE2 GLU A 39 -12.788 -5.437 -6.391 1.00 0.00 O ATOM 0 H GLU A 39 -7.859 -5.479 -7.832 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.143 -7.963 -7.282 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.802 -5.361 -8.745 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.997 -6.639 -8.649 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.757 -6.193 -6.024 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.417 -4.697 -6.652 1.00 0.00 H new ATOM 590 N GLU A 40 -8.319 -7.559 -10.408 1.00 0.00 N ATOM 591 CA GLU A 40 -8.217 -8.299 -11.694 1.00 0.00 C ATOM 592 C GLU A 40 -7.030 -9.261 -11.624 1.00 0.00 C ATOM 593 O GLU A 40 -7.057 -10.341 -12.184 1.00 0.00 O ATOM 594 CB GLU A 40 -7.981 -7.224 -12.757 1.00 0.00 C ATOM 595 CG GLU A 40 -8.058 -7.858 -14.149 1.00 0.00 C ATOM 596 CD GLU A 40 -7.424 -6.917 -15.174 1.00 0.00 C ATOM 597 OE1 GLU A 40 -6.210 -6.917 -15.279 1.00 0.00 O ATOM 598 OE2 GLU A 40 -8.166 -6.211 -15.839 1.00 0.00 O ATOM 0 H GLU A 40 -7.857 -6.650 -10.394 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.106 -8.888 -11.917 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.727 -6.435 -12.663 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.006 -6.760 -12.610 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.541 -8.818 -14.152 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.097 -8.055 -14.414 1.00 0.00 H new ATOM 605 N ALA A 41 -5.989 -8.879 -10.926 1.00 0.00 N ATOM 606 CA ALA A 41 -4.804 -9.779 -10.808 1.00 0.00 C ATOM 607 C ALA A 41 -5.194 -11.045 -10.045 1.00 0.00 C ATOM 608 O ALA A 41 -4.966 -12.151 -10.499 1.00 0.00 O ATOM 609 CB ALA A 41 -3.764 -8.981 -10.021 1.00 0.00 C ATOM 0 H ALA A 41 -5.910 -7.988 -10.436 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.420 -10.088 -11.780 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.863 -9.582 -9.895 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.519 -8.068 -10.564 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.168 -8.723 -9.042 1.00 0.00 H new ATOM 615 N ARG A 42 -5.790 -10.893 -8.892 1.00 0.00 N ATOM 616 CA ARG A 42 -6.203 -12.089 -8.104 1.00 0.00 C ATOM 617 C ARG A 42 -7.293 -12.850 -8.861 1.00 0.00 C ATOM 618 O ARG A 42 -7.387 -14.060 -8.783 1.00 0.00 O ATOM 619 CB ARG A 42 -6.734 -11.539 -6.776 1.00 0.00 C ATOM 620 CG ARG A 42 -8.041 -10.775 -7.006 1.00 0.00 C ATOM 621 CD ARG A 42 -8.589 -10.303 -5.660 1.00 0.00 C ATOM 622 NE ARG A 42 -10.066 -10.238 -5.847 1.00 0.00 N ATOM 623 CZ ARG A 42 -10.862 -10.500 -4.847 1.00 0.00 C ATOM 624 NH1 ARG A 42 -11.023 -9.623 -3.894 1.00 0.00 N ATOM 625 NH2 ARG A 42 -11.497 -11.639 -4.800 1.00 0.00 N ATOM 0 H ARG A 42 -6.008 -9.994 -8.463 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.382 -12.786 -7.939 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.901 -12.357 -6.076 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.993 -10.879 -6.325 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.867 -9.921 -7.661 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.768 -11.416 -7.504 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.322 -10.995 -4.861 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -8.182 -9.329 -5.388 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.455 -9.989 -6.757 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.527 -8.733 -3.931 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.645 -9.828 -3.112 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.371 -12.324 -5.545 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.119 -11.844 -4.018 1.00 0.00 H new ATOM 639 N ARG A 43 -8.112 -12.149 -9.605 1.00 0.00 N ATOM 640 CA ARG A 43 -9.189 -12.833 -10.382 1.00 0.00 C ATOM 641 C ARG A 43 -8.569 -13.933 -11.242 1.00 0.00 C ATOM 642 O ARG A 43 -9.025 -15.060 -11.251 1.00 0.00 O ATOM 643 CB ARG A 43 -9.803 -11.744 -11.261 1.00 0.00 C ATOM 644 CG ARG A 43 -10.954 -12.334 -12.080 1.00 0.00 C ATOM 645 CD ARG A 43 -11.671 -11.213 -12.835 1.00 0.00 C ATOM 646 NE ARG A 43 -12.535 -10.556 -11.815 1.00 0.00 N ATOM 647 CZ ARG A 43 -13.635 -11.135 -11.421 1.00 0.00 C ATOM 648 NH1 ARG A 43 -14.718 -11.043 -12.144 1.00 0.00 N ATOM 649 NH2 ARG A 43 -13.653 -11.809 -10.302 1.00 0.00 N ATOM 0 H ARG A 43 -8.081 -11.135 -9.707 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.939 -13.299 -9.743 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.167 -10.924 -10.641 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.045 -11.329 -11.926 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.572 -13.074 -12.783 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -11.654 -12.850 -11.423 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.959 -10.507 -13.264 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -12.264 -11.608 -13.660 1.00 0.00 H new ATOM 0 HE ARG A 43 -12.266 -9.653 -11.425 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -14.704 -10.518 -13.018 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -15.578 -11.496 -11.835 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.807 -11.882 -9.737 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -14.513 -12.262 -9.993 1.00 0.00 H new ATOM 663 N ALA A 44 -7.514 -13.615 -11.944 1.00 0.00 N ATOM 664 CA ALA A 44 -6.843 -14.648 -12.782 1.00 0.00 C ATOM 665 C ALA A 44 -6.199 -15.695 -11.868 1.00 0.00 C ATOM 666 O ALA A 44 -6.000 -16.832 -12.249 1.00 0.00 O ATOM 667 CB ALA A 44 -5.776 -13.892 -13.575 1.00 0.00 C ATOM 0 H ALA A 44 -7.090 -12.688 -11.973 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.534 -15.170 -13.445 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.238 -14.589 -14.217 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.252 -13.127 -14.188 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.076 -13.420 -12.885 1.00 0.00 H new ATOM 673 N ALA A 45 -5.882 -15.312 -10.658 1.00 0.00 N ATOM 674 CA ALA A 45 -5.260 -16.271 -9.701 1.00 0.00 C ATOM 675 C ALA A 45 -6.272 -17.351 -9.313 1.00 0.00 C ATOM 676 O ALA A 45 -5.926 -18.501 -9.125 1.00 0.00 O ATOM 677 CB ALA A 45 -4.884 -15.426 -8.481 1.00 0.00 C ATOM 0 H ALA A 45 -6.029 -14.371 -10.291 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.394 -16.780 -10.126 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.418 -16.062 -7.728 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.184 -14.646 -8.780 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.781 -14.968 -8.065 1.00 0.00 H new ATOM 683 N ALA A 46 -7.522 -16.987 -9.194 1.00 0.00 N ATOM 684 CA ALA A 46 -8.561 -17.990 -8.820 1.00 0.00 C ATOM 685 C ALA A 46 -9.080 -18.700 -10.073 1.00 0.00 C ATOM 686 O ALA A 46 -9.287 -19.898 -10.078 1.00 0.00 O ATOM 687 CB ALA A 46 -9.676 -17.178 -8.160 1.00 0.00 C ATOM 0 H ALA A 46 -7.868 -16.039 -9.340 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.173 -18.762 -8.155 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.481 -17.846 -7.855 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.281 -16.662 -7.284 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.061 -16.445 -8.869 1.00 0.00 H new ATOM 693 N ALA A 47 -9.290 -17.970 -11.135 1.00 0.00 N ATOM 694 CA ALA A 47 -9.793 -18.601 -12.390 1.00 0.00 C ATOM 695 C ALA A 47 -8.773 -19.616 -12.913 1.00 0.00 C ATOM 696 O ALA A 47 -9.121 -20.579 -13.568 1.00 0.00 O ATOM 697 CB ALA A 47 -9.957 -17.447 -13.380 1.00 0.00 C ATOM 0 H ALA A 47 -9.135 -16.963 -11.188 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.729 -19.138 -12.236 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -10.325 -17.833 -14.331 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.669 -16.724 -12.982 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -8.994 -16.960 -13.534 1.00 0.00 H new ATOM 703 N SER A 48 -7.515 -19.406 -12.626 1.00 0.00 N ATOM 704 CA SER A 48 -6.469 -20.357 -13.102 1.00 0.00 C ATOM 705 C SER A 48 -6.345 -21.534 -12.130 1.00 0.00 C ATOM 706 O SER A 48 -6.170 -22.667 -12.534 1.00 0.00 O ATOM 707 CB SER A 48 -5.176 -19.543 -13.127 1.00 0.00 C ATOM 708 OG SER A 48 -4.110 -20.368 -13.579 1.00 0.00 O ATOM 0 H SER A 48 -7.167 -18.616 -12.082 1.00 0.00 H new ATOM 0 HA SER A 48 -6.705 -20.776 -14.080 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.288 -18.681 -13.785 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.956 -19.158 -12.131 1.00 0.00 H new ATOM 0 HG SER A 48 -3.279 -19.848 -13.598 1.00 0.00 H new ATOM 714 N ALA A 49 -6.437 -21.273 -10.853 1.00 0.00 N ATOM 715 CA ALA A 49 -6.327 -22.376 -9.854 1.00 0.00 C ATOM 716 C ALA A 49 -7.475 -23.373 -10.042 1.00 0.00 C ATOM 717 O ALA A 49 -7.354 -24.539 -9.719 1.00 0.00 O ATOM 718 CB ALA A 49 -6.428 -21.693 -8.490 1.00 0.00 C ATOM 0 H ALA A 49 -6.584 -20.344 -10.459 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.397 -22.936 -9.959 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.355 -22.442 -7.702 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.617 -20.973 -8.383 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.384 -21.176 -8.412 1.00 0.00 H new ATOM 724 N ALA A 50 -8.585 -22.923 -10.563 1.00 0.00 N ATOM 725 CA ALA A 50 -9.740 -23.844 -10.773 1.00 0.00 C ATOM 726 C ALA A 50 -9.490 -24.754 -11.983 1.00 0.00 C ATOM 727 O ALA A 50 -10.237 -25.679 -12.236 1.00 0.00 O ATOM 728 CB ALA A 50 -10.937 -22.929 -11.032 1.00 0.00 C ATOM 0 H ALA A 50 -8.742 -21.958 -10.852 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.902 -24.497 -9.916 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -11.829 -23.534 -11.196 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.093 -22.280 -10.170 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -10.745 -22.319 -11.915 1.00 0.00 H new ATOM 734 N GLU A 51 -8.448 -24.500 -12.731 1.00 0.00 N ATOM 735 CA GLU A 51 -8.155 -25.352 -13.921 1.00 0.00 C ATOM 736 C GLU A 51 -6.981 -26.290 -13.626 1.00 0.00 C ATOM 737 O GLU A 51 -7.003 -27.454 -13.974 1.00 0.00 O ATOM 738 CB GLU A 51 -7.789 -24.367 -15.033 1.00 0.00 C ATOM 739 CG GLU A 51 -8.949 -24.259 -16.026 1.00 0.00 C ATOM 740 CD GLU A 51 -9.018 -22.833 -16.577 1.00 0.00 C ATOM 741 OE1 GLU A 51 -8.092 -22.442 -17.269 1.00 0.00 O ATOM 742 OE2 GLU A 51 -9.996 -22.158 -16.298 1.00 0.00 O ATOM 0 H GLU A 51 -7.788 -23.740 -12.569 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.001 -25.981 -14.196 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.569 -23.388 -14.607 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.887 -24.701 -15.546 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.811 -24.969 -16.841 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.887 -24.516 -15.535 1.00 0.00 H new ATOM 749 N ALA A 52 -5.956 -25.790 -12.987 1.00 0.00 N ATOM 750 CA ALA A 52 -4.780 -26.652 -12.669 1.00 0.00 C ATOM 751 C ALA A 52 -4.529 -26.671 -11.159 1.00 0.00 C ATOM 752 O ALA A 52 -3.415 -26.857 -10.709 1.00 0.00 O ATOM 753 CB ALA A 52 -3.604 -26.002 -13.399 1.00 0.00 C ATOM 0 H ALA A 52 -5.883 -24.823 -12.672 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.931 -27.686 -12.978 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.698 -26.579 -13.215 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.808 -25.979 -14.469 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.467 -24.984 -13.034 1.00 0.00 H new ATOM 759 N GLY A 53 -5.555 -26.481 -10.374 1.00 0.00 N ATOM 760 CA GLY A 53 -5.377 -26.488 -8.893 1.00 0.00 C ATOM 761 C GLY A 53 -5.971 -27.771 -8.312 1.00 0.00 C ATOM 762 O GLY A 53 -5.526 -28.267 -7.295 1.00 0.00 O ATOM 0 H GLY A 53 -6.510 -26.321 -10.695 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.318 -26.420 -8.643 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.865 -25.618 -8.454 1.00 0.00 H new ATOM 882 N ASP A 63 4.166 -26.462 -26.139 1.00 0.00 N ATOM 883 CA ASP A 63 4.158 -25.056 -25.642 1.00 0.00 C ATOM 884 C ASP A 63 4.115 -24.077 -26.819 1.00 0.00 C ATOM 885 O ASP A 63 3.308 -23.166 -26.853 1.00 0.00 O ATOM 886 CB ASP A 63 5.466 -24.901 -24.863 1.00 0.00 C ATOM 887 CG ASP A 63 5.332 -25.580 -23.499 1.00 0.00 C ATOM 888 OD1 ASP A 63 4.501 -25.142 -22.721 1.00 0.00 O ATOM 889 OD2 ASP A 63 6.063 -26.527 -23.255 1.00 0.00 O ATOM 0 HA ASP A 63 3.287 -24.844 -25.022 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.289 -25.345 -25.423 1.00 0.00 H new ATOM 0 HB3 ASP A 63 5.701 -23.845 -24.734 1.00 0.00 H new ATOM 894 N ASP A 64 4.968 -24.264 -27.791 1.00 0.00 N ATOM 895 CA ASP A 64 4.963 -23.350 -28.963 1.00 0.00 C ATOM 896 C ASP A 64 3.764 -23.673 -29.844 1.00 0.00 C ATOM 897 O ASP A 64 3.231 -22.818 -30.522 1.00 0.00 O ATOM 898 CB ASP A 64 6.268 -23.624 -29.708 1.00 0.00 C ATOM 899 CG ASP A 64 7.455 -23.385 -28.772 1.00 0.00 C ATOM 900 OD1 ASP A 64 7.803 -24.300 -28.044 1.00 0.00 O ATOM 901 OD2 ASP A 64 7.995 -22.291 -28.800 1.00 0.00 O ATOM 0 H ASP A 64 5.665 -25.008 -27.821 1.00 0.00 H new ATOM 0 HA ASP A 64 4.890 -22.302 -28.674 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.281 -24.651 -30.073 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.344 -22.975 -30.580 1.00 0.00 H new ATOM 906 N ALA A 65 3.323 -24.904 -29.827 1.00 0.00 N ATOM 907 CA ALA A 65 2.142 -25.272 -30.653 1.00 0.00 C ATOM 908 C ALA A 65 0.937 -24.469 -30.173 1.00 0.00 C ATOM 909 O ALA A 65 0.198 -23.910 -30.956 1.00 0.00 O ATOM 910 CB ALA A 65 1.921 -26.763 -30.421 1.00 0.00 C ATOM 0 H ALA A 65 3.728 -25.664 -29.280 1.00 0.00 H new ATOM 0 HA ALA A 65 2.288 -25.061 -31.712 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.063 -27.098 -31.003 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.808 -27.315 -30.732 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.734 -26.943 -29.362 1.00 0.00 H new ATOM 916 N LEU A 66 0.751 -24.388 -28.883 1.00 0.00 N ATOM 917 CA LEU A 66 -0.389 -23.596 -28.346 1.00 0.00 C ATOM 918 C LEU A 66 -0.179 -22.125 -28.703 1.00 0.00 C ATOM 919 O LEU A 66 -1.117 -21.372 -28.863 1.00 0.00 O ATOM 920 CB LEU A 66 -0.345 -23.799 -26.830 1.00 0.00 C ATOM 921 CG LEU A 66 -1.771 -23.835 -26.279 1.00 0.00 C ATOM 922 CD1 LEU A 66 -1.832 -24.785 -25.081 1.00 0.00 C ATOM 923 CD2 LEU A 66 -2.182 -22.430 -25.836 1.00 0.00 C ATOM 0 H LEU A 66 1.339 -24.836 -28.180 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.351 -23.903 -28.755 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.172 -24.729 -26.592 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.217 -22.992 -26.360 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.451 -24.185 -27.055 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.848 -24.811 -24.688 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.539 -25.787 -25.396 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.152 -24.435 -24.304 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.198 -22.455 -25.443 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.502 -22.080 -25.060 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.139 -21.753 -26.689 1.00 0.00 H new ATOM 935 N LEU A 67 1.056 -21.715 -28.841 1.00 0.00 N ATOM 936 CA LEU A 67 1.339 -20.297 -29.202 1.00 0.00 C ATOM 937 C LEU A 67 1.033 -20.066 -30.687 1.00 0.00 C ATOM 938 O LEU A 67 0.381 -19.109 -31.057 1.00 0.00 O ATOM 939 CB LEU A 67 2.837 -20.107 -28.914 1.00 0.00 C ATOM 940 CG LEU A 67 3.379 -18.884 -29.668 1.00 0.00 C ATOM 941 CD1 LEU A 67 2.490 -17.665 -29.401 1.00 0.00 C ATOM 942 CD2 LEU A 67 4.803 -18.585 -29.194 1.00 0.00 C ATOM 0 H LEU A 67 1.880 -22.303 -28.719 1.00 0.00 H new ATOM 0 HA LEU A 67 0.728 -19.590 -28.640 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.994 -19.980 -27.843 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.387 -20.999 -29.213 1.00 0.00 H new ATOM 0 HG LEU A 67 3.382 -19.097 -30.737 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.883 -16.803 -29.940 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.475 -17.873 -29.740 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.478 -17.450 -28.332 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.190 -17.717 -29.728 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.794 -18.378 -28.124 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.441 -19.446 -29.392 1.00 0.00 H new ATOM 954 N LYS A 68 1.508 -20.936 -31.538 1.00 0.00 N ATOM 955 CA LYS A 68 1.257 -20.769 -32.999 1.00 0.00 C ATOM 956 C LYS A 68 -0.151 -21.248 -33.364 1.00 0.00 C ATOM 957 O LYS A 68 -0.904 -20.544 -34.005 1.00 0.00 O ATOM 958 CB LYS A 68 2.312 -21.639 -33.684 1.00 0.00 C ATOM 959 CG LYS A 68 2.332 -21.330 -35.182 1.00 0.00 C ATOM 960 CD LYS A 68 3.074 -20.013 -35.422 1.00 0.00 C ATOM 961 CE LYS A 68 4.492 -20.306 -35.919 1.00 0.00 C ATOM 962 NZ LYS A 68 5.124 -18.968 -36.087 1.00 0.00 N ATOM 0 H LYS A 68 2.059 -21.756 -31.284 1.00 0.00 H new ATOM 0 HA LYS A 68 1.321 -19.725 -33.307 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.293 -21.449 -33.249 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.090 -22.694 -33.522 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.821 -22.139 -35.724 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.313 -21.260 -35.563 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.538 -19.410 -36.155 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.113 -19.433 -34.500 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.043 -20.916 -35.203 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.475 -20.856 -36.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.100 -19.085 -36.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.582 -18.412 -36.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.132 -18.471 -35.174 1.00 0.00 H new ATOM 976 N MET A 69 -0.511 -22.442 -32.972 1.00 0.00 N ATOM 977 CA MET A 69 -1.872 -22.964 -33.309 1.00 0.00 C ATOM 978 C MET A 69 -2.960 -21.985 -32.848 1.00 0.00 C ATOM 979 O MET A 69 -3.961 -21.799 -33.514 1.00 0.00 O ATOM 980 CB MET A 69 -1.989 -24.286 -32.550 1.00 0.00 C ATOM 981 CG MET A 69 -3.314 -24.963 -32.905 1.00 0.00 C ATOM 982 SD MET A 69 -3.232 -25.597 -34.598 1.00 0.00 S ATOM 983 CE MET A 69 -4.822 -26.462 -34.592 1.00 0.00 C ATOM 0 H MET A 69 0.076 -23.079 -32.434 1.00 0.00 H new ATOM 0 HA MET A 69 -2.002 -23.092 -34.384 1.00 0.00 H new ATOM 0 HB2 MET A 69 -1.155 -24.939 -32.806 1.00 0.00 H new ATOM 0 HB3 MET A 69 -1.936 -24.107 -31.476 1.00 0.00 H new ATOM 0 HG2 MET A 69 -3.516 -25.778 -32.210 1.00 0.00 H new ATOM 0 HG3 MET A 69 -4.135 -24.252 -32.811 1.00 0.00 H new ATOM 0 HE1 MET A 69 -4.981 -26.937 -35.560 1.00 0.00 H new ATOM 0 HE2 MET A 69 -4.820 -27.222 -33.811 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.624 -25.748 -34.402 1.00 0.00 H new ATOM 993 N THR A 70 -2.777 -21.364 -31.713 1.00 0.00 N ATOM 994 CA THR A 70 -3.806 -20.404 -31.208 1.00 0.00 C ATOM 995 C THR A 70 -3.788 -19.112 -32.029 1.00 0.00 C ATOM 996 O THR A 70 -4.823 -18.563 -32.357 1.00 0.00 O ATOM 997 CB THR A 70 -3.413 -20.130 -29.754 1.00 0.00 C ATOM 998 OG1 THR A 70 -3.550 -21.324 -28.997 1.00 0.00 O ATOM 999 CG2 THR A 70 -4.321 -19.048 -29.165 1.00 0.00 C ATOM 0 H THR A 70 -1.960 -21.479 -31.113 1.00 0.00 H new ATOM 0 HA THR A 70 -4.816 -20.806 -31.288 1.00 0.00 H new ATOM 0 HB THR A 70 -2.379 -19.788 -29.719 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.686 -21.784 -28.952 1.00 0.00 H new ATOM 0 HG21 THR A 70 -4.036 -18.858 -28.130 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.217 -18.131 -29.745 1.00 0.00 H new ATOM 0 HG23 THR A 70 -5.357 -19.384 -29.200 1.00 0.00 H new ATOM 1007 N ILE A 71 -2.626 -18.618 -32.364 1.00 0.00 N ATOM 1008 CA ILE A 71 -2.561 -17.363 -33.160 1.00 0.00 C ATOM 1009 C ILE A 71 -2.777 -17.671 -34.645 1.00 0.00 C ATOM 1010 O ILE A 71 -3.108 -16.803 -35.427 1.00 0.00 O ATOM 1011 CB ILE A 71 -1.160 -16.793 -32.895 1.00 0.00 C ATOM 1012 CG1 ILE A 71 -1.213 -15.271 -33.022 1.00 0.00 C ATOM 1013 CG2 ILE A 71 -0.147 -17.358 -33.897 1.00 0.00 C ATOM 1014 CD1 ILE A 71 -2.022 -14.692 -31.858 1.00 0.00 C ATOM 0 H ILE A 71 -1.724 -19.028 -32.121 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.334 -16.647 -32.882 1.00 0.00 H new ATOM 0 HB ILE A 71 -0.844 -17.076 -31.891 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.204 -14.859 -33.018 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.669 -14.990 -33.971 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.839 -16.941 -33.692 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.109 -18.443 -33.803 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.450 -17.092 -34.910 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.061 -13.606 -31.947 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.035 -15.095 -31.883 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.547 -14.962 -30.915 1.00 0.00 H new ATOM 1026 N SER A 72 -2.601 -18.905 -35.034 1.00 0.00 N ATOM 1027 CA SER A 72 -2.805 -19.271 -36.461 1.00 0.00 C ATOM 1028 C SER A 72 -4.302 -19.287 -36.773 1.00 0.00 C ATOM 1029 O SER A 72 -4.731 -18.890 -37.839 1.00 0.00 O ATOM 1030 CB SER A 72 -2.209 -20.670 -36.606 1.00 0.00 C ATOM 1031 OG SER A 72 -0.793 -20.569 -36.696 1.00 0.00 O ATOM 0 H SER A 72 -2.325 -19.674 -34.424 1.00 0.00 H new ATOM 0 HA SER A 72 -2.336 -18.565 -37.147 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.488 -21.287 -35.752 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.608 -21.158 -37.495 1.00 0.00 H new ATOM 0 HG SER A 72 -0.436 -20.214 -35.855 1.00 0.00 H new ATOM 1037 N GLN A 73 -5.099 -19.736 -35.842 1.00 0.00 N ATOM 1038 CA GLN A 73 -6.573 -19.774 -36.067 1.00 0.00 C ATOM 1039 C GLN A 73 -7.174 -18.387 -35.826 1.00 0.00 C ATOM 1040 O GLN A 73 -8.208 -18.047 -36.367 1.00 0.00 O ATOM 1041 CB GLN A 73 -7.102 -20.779 -35.040 1.00 0.00 C ATOM 1042 CG GLN A 73 -8.620 -20.918 -35.187 1.00 0.00 C ATOM 1043 CD GLN A 73 -9.313 -20.308 -33.966 1.00 0.00 C ATOM 1044 OE1 GLN A 73 -9.842 -19.217 -34.034 1.00 0.00 O ATOM 1045 NE2 GLN A 73 -9.333 -20.974 -32.843 1.00 0.00 N ATOM 0 H GLN A 73 -4.792 -20.079 -34.932 1.00 0.00 H new ATOM 0 HA GLN A 73 -6.833 -20.060 -37.086 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -6.623 -21.747 -35.185 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -6.854 -20.448 -34.032 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -8.955 -20.417 -36.095 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -8.891 -21.969 -35.284 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -8.889 -21.890 -32.786 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.793 -20.578 -32.023 1.00 0.00 H new ATOM 1054 N GLN A 74 -6.531 -17.584 -35.019 1.00 0.00 N ATOM 1055 CA GLN A 74 -7.060 -16.217 -34.743 1.00 0.00 C ATOM 1056 C GLN A 74 -6.521 -15.222 -35.775 1.00 0.00 C ATOM 1057 O GLN A 74 -7.243 -14.377 -36.271 1.00 0.00 O ATOM 1058 CB GLN A 74 -6.548 -15.870 -33.345 1.00 0.00 C ATOM 1059 CG GLN A 74 -7.447 -14.800 -32.721 1.00 0.00 C ATOM 1060 CD GLN A 74 -6.600 -13.850 -31.872 1.00 0.00 C ATOM 1061 OE1 GLN A 74 -6.770 -12.649 -31.930 1.00 0.00 O ATOM 1062 NE2 GLN A 74 -5.687 -14.342 -31.080 1.00 0.00 N ATOM 0 H GLN A 74 -5.662 -17.817 -34.539 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.148 -16.175 -34.801 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -6.538 -16.762 -32.718 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -5.521 -15.509 -33.402 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.963 -14.243 -33.503 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.214 -15.269 -32.105 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -5.544 -15.351 -31.031 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -5.116 -13.718 -30.510 1.00 0.00 H new ATOM 1203 N LEU A 84 0.074 -4.079 -48.082 1.00 0.00 N ATOM 1204 CA LEU A 84 1.543 -4.058 -47.819 1.00 0.00 C ATOM 1205 C LEU A 84 1.900 -2.886 -46.899 1.00 0.00 C ATOM 1206 O LEU A 84 2.831 -2.958 -46.120 1.00 0.00 O ATOM 1207 CB LEU A 84 2.193 -3.877 -49.191 1.00 0.00 C ATOM 1208 CG LEU A 84 1.840 -5.069 -50.083 1.00 0.00 C ATOM 1209 CD1 LEU A 84 2.064 -4.694 -51.549 1.00 0.00 C ATOM 1210 CD2 LEU A 84 2.734 -6.257 -49.720 1.00 0.00 C ATOM 0 HA LEU A 84 1.884 -4.967 -47.324 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.847 -2.951 -49.650 1.00 0.00 H new ATOM 0 HB3 LEU A 84 3.275 -3.796 -49.085 1.00 0.00 H new ATOM 0 HG LEU A 84 0.795 -5.339 -49.933 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.813 -5.543 -52.184 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.430 -3.846 -51.809 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.109 -4.425 -51.700 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.484 -7.108 -50.354 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.779 -5.986 -49.871 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.577 -6.525 -48.675 1.00 0.00 H new ATOM 1222 N SER A 85 1.168 -1.807 -46.985 1.00 0.00 N ATOM 1223 CA SER A 85 1.466 -0.629 -46.118 1.00 0.00 C ATOM 1224 C SER A 85 1.353 -1.016 -44.641 1.00 0.00 C ATOM 1225 O SER A 85 2.010 -0.449 -43.789 1.00 0.00 O ATOM 1226 CB SER A 85 0.407 0.412 -46.479 1.00 0.00 C ATOM 1227 OG SER A 85 0.620 1.587 -45.709 1.00 0.00 O ATOM 0 H SER A 85 0.377 -1.690 -47.618 1.00 0.00 H new ATOM 0 HA SER A 85 2.477 -0.252 -46.272 1.00 0.00 H new ATOM 0 HB2 SER A 85 0.459 0.646 -47.542 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.590 0.014 -46.288 1.00 0.00 H new ATOM 0 HG SER A 85 -0.057 2.257 -45.940 1.00 0.00 H new ATOM 1233 N SER A 86 0.525 -1.978 -44.332 1.00 0.00 N ATOM 1234 CA SER A 86 0.370 -2.403 -42.910 1.00 0.00 C ATOM 1235 C SER A 86 1.113 -3.719 -42.667 1.00 0.00 C ATOM 1236 O SER A 86 0.590 -4.635 -42.062 1.00 0.00 O ATOM 1237 CB SER A 86 -1.134 -2.592 -42.717 1.00 0.00 C ATOM 1238 OG SER A 86 -1.825 -1.504 -43.315 1.00 0.00 O ATOM 0 H SER A 86 -0.051 -2.488 -45.002 1.00 0.00 H new ATOM 0 HA SER A 86 0.782 -1.674 -42.213 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.454 -3.532 -43.166 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.372 -2.649 -41.655 1.00 0.00 H new ATOM 0 HG SER A 86 -2.790 -1.623 -43.194 1.00 0.00 H new ATOM 1244 N MET A 87 2.329 -3.819 -43.133 1.00 0.00 N ATOM 1245 CA MET A 87 3.108 -5.075 -42.928 1.00 0.00 C ATOM 1246 C MET A 87 4.542 -4.745 -42.504 1.00 0.00 C ATOM 1247 O MET A 87 5.262 -4.056 -43.199 1.00 0.00 O ATOM 1248 CB MET A 87 3.098 -5.771 -44.290 1.00 0.00 C ATOM 1249 CG MET A 87 1.826 -6.608 -44.429 1.00 0.00 C ATOM 1250 SD MET A 87 2.131 -7.986 -45.562 1.00 0.00 S ATOM 1251 CE MET A 87 0.534 -7.941 -46.412 1.00 0.00 C ATOM 0 H MET A 87 2.817 -3.085 -43.647 1.00 0.00 H new ATOM 0 HA MET A 87 2.683 -5.703 -42.145 1.00 0.00 H new ATOM 0 HB2 MET A 87 3.147 -5.031 -45.088 1.00 0.00 H new ATOM 0 HB3 MET A 87 3.977 -6.407 -44.391 1.00 0.00 H new ATOM 0 HG2 MET A 87 1.518 -6.986 -43.454 1.00 0.00 H new ATOM 0 HG3 MET A 87 1.010 -5.990 -44.803 1.00 0.00 H new ATOM 0 HE1 MET A 87 0.503 -8.724 -47.170 1.00 0.00 H new ATOM 0 HE2 MET A 87 -0.267 -8.102 -45.690 1.00 0.00 H new ATOM 0 HE3 MET A 87 0.403 -6.969 -46.888 1.00 0.00 H new ATOM 1261 N THR A 88 4.960 -5.235 -41.366 1.00 0.00 N ATOM 1262 CA THR A 88 6.349 -4.951 -40.895 1.00 0.00 C ATOM 1263 C THR A 88 7.368 -5.608 -41.825 1.00 0.00 C ATOM 1264 O THR A 88 7.025 -6.155 -42.856 1.00 0.00 O ATOM 1265 CB THR A 88 6.438 -5.564 -39.495 1.00 0.00 C ATOM 1266 OG1 THR A 88 6.301 -6.975 -39.589 1.00 0.00 O ATOM 1267 CG2 THR A 88 5.326 -4.999 -38.611 1.00 0.00 C ATOM 0 H THR A 88 4.401 -5.818 -40.743 1.00 0.00 H new ATOM 0 HA THR A 88 6.563 -3.882 -40.885 1.00 0.00 H new ATOM 0 HB THR A 88 7.404 -5.319 -39.054 1.00 0.00 H new ATOM 0 HG1 THR A 88 6.359 -7.370 -38.694 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.394 -5.438 -37.616 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.434 -3.917 -38.538 1.00 0.00 H new ATOM 0 HG23 THR A 88 4.357 -5.238 -39.048 1.00 0.00 H new ATOM 1275 N GLU A 89 8.623 -5.561 -41.462 1.00 0.00 N ATOM 1276 CA GLU A 89 9.674 -6.184 -42.317 1.00 0.00 C ATOM 1277 C GLU A 89 9.423 -7.686 -42.452 1.00 0.00 C ATOM 1278 O GLU A 89 9.703 -8.280 -43.474 1.00 0.00 O ATOM 1279 CB GLU A 89 10.991 -5.926 -41.584 1.00 0.00 C ATOM 1280 CG GLU A 89 11.751 -4.796 -42.278 1.00 0.00 C ATOM 1281 CD GLU A 89 13.016 -4.466 -41.484 1.00 0.00 C ATOM 1282 OE1 GLU A 89 13.663 -5.394 -41.028 1.00 0.00 O ATOM 1283 OE2 GLU A 89 13.316 -3.291 -41.347 1.00 0.00 O ATOM 0 H GLU A 89 8.965 -5.118 -40.609 1.00 0.00 H new ATOM 0 HA GLU A 89 9.682 -5.770 -43.325 1.00 0.00 H new ATOM 0 HB2 GLU A 89 10.795 -5.661 -40.545 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.597 -6.832 -41.573 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.014 -5.091 -43.294 1.00 0.00 H new ATOM 0 HG3 GLU A 89 11.118 -3.912 -42.356 1.00 0.00 H new ATOM 1290 N GLU A 90 8.899 -8.304 -41.427 1.00 0.00 N ATOM 1291 CA GLU A 90 8.633 -9.771 -41.497 1.00 0.00 C ATOM 1292 C GLU A 90 7.302 -10.038 -42.204 1.00 0.00 C ATOM 1293 O GLU A 90 7.149 -11.025 -42.895 1.00 0.00 O ATOM 1294 CB GLU A 90 8.573 -10.246 -40.045 1.00 0.00 C ATOM 1295 CG GLU A 90 9.883 -9.899 -39.332 1.00 0.00 C ATOM 1296 CD GLU A 90 9.700 -10.062 -37.822 1.00 0.00 C ATOM 1297 OE1 GLU A 90 8.772 -9.473 -37.291 1.00 0.00 O ATOM 1298 OE2 GLU A 90 10.490 -10.773 -37.222 1.00 0.00 O ATOM 0 H GLU A 90 8.644 -7.858 -40.546 1.00 0.00 H new ATOM 0 HA GLU A 90 9.404 -10.296 -42.061 1.00 0.00 H new ATOM 0 HB2 GLU A 90 7.734 -9.775 -39.533 1.00 0.00 H new ATOM 0 HB3 GLU A 90 8.404 -11.322 -40.011 1.00 0.00 H new ATOM 0 HG2 GLU A 90 10.684 -10.548 -39.684 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.176 -8.875 -39.565 1.00 0.00 H new ATOM 1305 N GLU A 91 6.337 -9.166 -42.041 1.00 0.00 N ATOM 1306 CA GLU A 91 5.021 -9.385 -42.717 1.00 0.00 C ATOM 1307 C GLU A 91 5.227 -9.505 -44.228 1.00 0.00 C ATOM 1308 O GLU A 91 4.954 -10.532 -44.822 1.00 0.00 O ATOM 1309 CB GLU A 91 4.186 -8.148 -42.386 1.00 0.00 C ATOM 1310 CG GLU A 91 3.523 -8.329 -41.019 1.00 0.00 C ATOM 1311 CD GLU A 91 2.332 -9.280 -41.152 1.00 0.00 C ATOM 1312 OE1 GLU A 91 1.614 -9.165 -42.132 1.00 0.00 O ATOM 1313 OE2 GLU A 91 2.156 -10.106 -40.271 1.00 0.00 O ATOM 0 H GLU A 91 6.402 -8.320 -41.475 1.00 0.00 H new ATOM 0 HA GLU A 91 4.532 -10.300 -42.384 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.819 -7.260 -42.380 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.427 -7.993 -43.152 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.242 -8.728 -40.304 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.191 -7.365 -40.633 1.00 0.00 H new ATOM 1320 N GLN A 92 5.723 -8.470 -44.854 1.00 0.00 N ATOM 1321 CA GLN A 92 5.963 -8.535 -46.326 1.00 0.00 C ATOM 1322 C GLN A 92 6.938 -9.673 -46.629 1.00 0.00 C ATOM 1323 O GLN A 92 6.899 -10.278 -47.683 1.00 0.00 O ATOM 1324 CB GLN A 92 6.579 -7.183 -46.693 1.00 0.00 C ATOM 1325 CG GLN A 92 5.587 -6.065 -46.364 1.00 0.00 C ATOM 1326 CD GLN A 92 5.864 -4.857 -47.261 1.00 0.00 C ATOM 1327 OE1 GLN A 92 5.933 -4.985 -48.468 1.00 0.00 O ATOM 1328 NE2 GLN A 92 6.026 -3.681 -46.719 1.00 0.00 N ATOM 0 H GLN A 92 5.972 -7.585 -44.411 1.00 0.00 H new ATOM 0 HA GLN A 92 5.052 -8.724 -46.894 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.508 -7.033 -46.143 1.00 0.00 H new ATOM 0 HB3 GLN A 92 6.830 -7.161 -47.754 1.00 0.00 H new ATOM 0 HG2 GLN A 92 4.566 -6.415 -46.513 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.677 -5.781 -45.315 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.968 -3.574 -45.706 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.211 -2.869 -47.308 1.00 0.00 H new ATOM 1337 N ILE A 93 7.805 -9.974 -45.699 1.00 0.00 N ATOM 1338 CA ILE A 93 8.781 -11.080 -45.909 1.00 0.00 C ATOM 1339 C ILE A 93 8.044 -12.422 -45.846 1.00 0.00 C ATOM 1340 O ILE A 93 8.386 -13.361 -46.535 1.00 0.00 O ATOM 1341 CB ILE A 93 9.795 -10.927 -44.762 1.00 0.00 C ATOM 1342 CG1 ILE A 93 11.017 -10.161 -45.275 1.00 0.00 C ATOM 1343 CG2 ILE A 93 10.239 -12.297 -44.235 1.00 0.00 C ATOM 1344 CD1 ILE A 93 11.959 -9.856 -44.109 1.00 0.00 C ATOM 0 H ILE A 93 7.878 -9.499 -44.800 1.00 0.00 H new ATOM 0 HA ILE A 93 9.279 -11.044 -46.878 1.00 0.00 H new ATOM 0 HB ILE A 93 9.320 -10.382 -43.946 1.00 0.00 H new ATOM 0 HG12 ILE A 93 11.537 -10.750 -46.031 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.703 -9.234 -45.754 1.00 0.00 H new ATOM 0 HG21 ILE A 93 10.956 -12.160 -43.425 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.371 -12.843 -43.864 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.706 -12.863 -45.041 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.828 -9.311 -44.477 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.437 -9.250 -43.368 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.284 -10.790 -43.650 1.00 0.00 H new ATOM 1356 N ALA A 94 7.026 -12.511 -45.031 1.00 0.00 N ATOM 1357 CA ALA A 94 6.260 -13.787 -44.936 1.00 0.00 C ATOM 1358 C ALA A 94 5.565 -14.064 -46.270 1.00 0.00 C ATOM 1359 O ALA A 94 5.332 -15.199 -46.638 1.00 0.00 O ATOM 1360 CB ALA A 94 5.231 -13.555 -43.830 1.00 0.00 C ATOM 0 H ALA A 94 6.693 -11.758 -44.429 1.00 0.00 H new ATOM 0 HA ALA A 94 6.897 -14.644 -44.716 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.627 -14.453 -43.701 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.745 -13.326 -42.897 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.586 -12.720 -44.103 1.00 0.00 H new ATOM 1366 N TYR A 95 5.239 -13.030 -46.999 1.00 0.00 N ATOM 1367 CA TYR A 95 4.563 -13.222 -48.315 1.00 0.00 C ATOM 1368 C TYR A 95 5.603 -13.454 -49.414 1.00 0.00 C ATOM 1369 O TYR A 95 5.423 -14.278 -50.289 1.00 0.00 O ATOM 1370 CB TYR A 95 3.808 -11.914 -48.561 1.00 0.00 C ATOM 1371 CG TYR A 95 2.457 -12.217 -49.161 1.00 0.00 C ATOM 1372 CD1 TYR A 95 2.366 -12.970 -50.337 1.00 0.00 C ATOM 1373 CD2 TYR A 95 1.295 -11.744 -48.539 1.00 0.00 C ATOM 1374 CE1 TYR A 95 1.112 -13.250 -50.893 1.00 0.00 C ATOM 1375 CE2 TYR A 95 0.042 -12.025 -49.095 1.00 0.00 C ATOM 1376 CZ TYR A 95 -0.050 -12.778 -50.272 1.00 0.00 C ATOM 1377 OH TYR A 95 -1.285 -13.055 -50.820 1.00 0.00 O ATOM 0 H TYR A 95 5.412 -12.059 -46.739 1.00 0.00 H new ATOM 0 HA TYR A 95 3.899 -14.086 -48.319 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.688 -11.370 -47.624 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.380 -11.272 -49.231 1.00 0.00 H new ATOM 0 HD1 TYR A 95 3.263 -13.335 -50.816 1.00 0.00 H new ATOM 0 HD2 TYR A 95 1.366 -11.163 -47.631 1.00 0.00 H new ATOM 0 HE1 TYR A 95 1.041 -13.830 -51.801 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -0.855 -11.661 -48.616 1.00 0.00 H new ATOM 0 HH TYR A 95 -1.986 -12.655 -50.265 1.00 0.00 H new ATOM 1387 N ALA A 96 6.691 -12.731 -49.374 1.00 0.00 N ATOM 1388 CA ALA A 96 7.745 -12.904 -50.417 1.00 0.00 C ATOM 1389 C ALA A 96 8.580 -14.155 -50.128 1.00 0.00 C ATOM 1390 O ALA A 96 9.118 -14.771 -51.026 1.00 0.00 O ATOM 1391 CB ALA A 96 8.610 -11.648 -50.316 1.00 0.00 C ATOM 0 H ALA A 96 6.896 -12.028 -48.664 1.00 0.00 H new ATOM 0 HA ALA A 96 7.322 -13.030 -51.413 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.411 -11.698 -51.053 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.996 -10.767 -50.506 1.00 0.00 H new ATOM 0 HB3 ALA A 96 9.040 -11.582 -49.317 1.00 0.00 H new ATOM 1397 N MET A 97 8.687 -14.538 -48.883 1.00 0.00 N ATOM 1398 CA MET A 97 9.480 -15.752 -48.540 1.00 0.00 C ATOM 1399 C MET A 97 8.622 -17.001 -48.736 1.00 0.00 C ATOM 1400 O MET A 97 9.124 -18.075 -49.010 1.00 0.00 O ATOM 1401 CB MET A 97 9.856 -15.582 -47.068 1.00 0.00 C ATOM 1402 CG MET A 97 10.939 -16.597 -46.697 1.00 0.00 C ATOM 1403 SD MET A 97 11.992 -15.910 -45.396 1.00 0.00 S ATOM 1404 CE MET A 97 12.810 -14.651 -46.407 1.00 0.00 C ATOM 0 H MET A 97 8.259 -14.061 -48.089 1.00 0.00 H new ATOM 0 HA MET A 97 10.363 -15.865 -49.169 1.00 0.00 H new ATOM 0 HB2 MET A 97 10.215 -14.569 -46.888 1.00 0.00 H new ATOM 0 HB3 MET A 97 8.978 -15.725 -46.439 1.00 0.00 H new ATOM 0 HG2 MET A 97 10.481 -17.525 -46.356 1.00 0.00 H new ATOM 0 HG3 MET A 97 11.539 -16.841 -47.574 1.00 0.00 H new ATOM 0 HE1 MET A 97 13.888 -14.808 -46.382 1.00 0.00 H new ATOM 0 HE2 MET A 97 12.456 -14.724 -47.435 1.00 0.00 H new ATOM 0 HE3 MET A 97 12.579 -13.661 -46.013 1.00 0.00 H new ATOM 1414 N GLN A 98 7.329 -16.868 -48.599 1.00 0.00 N ATOM 1415 CA GLN A 98 6.436 -18.045 -48.782 1.00 0.00 C ATOM 1416 C GLN A 98 6.295 -18.368 -50.271 1.00 0.00 C ATOM 1417 O GLN A 98 6.197 -19.515 -50.661 1.00 0.00 O ATOM 1418 CB GLN A 98 5.090 -17.621 -48.191 1.00 0.00 C ATOM 1419 CG GLN A 98 4.097 -18.782 -48.291 1.00 0.00 C ATOM 1420 CD GLN A 98 4.159 -19.618 -47.011 1.00 0.00 C ATOM 1421 OE1 GLN A 98 3.317 -19.488 -46.145 1.00 0.00 O ATOM 1422 NE2 GLN A 98 5.128 -20.478 -46.855 1.00 0.00 N ATOM 0 H GLN A 98 6.855 -15.995 -48.368 1.00 0.00 H new ATOM 0 HA GLN A 98 6.825 -18.940 -48.297 1.00 0.00 H new ATOM 0 HB2 GLN A 98 5.216 -17.325 -47.149 1.00 0.00 H new ATOM 0 HB3 GLN A 98 4.704 -16.752 -48.725 1.00 0.00 H new ATOM 0 HG2 GLN A 98 3.087 -18.399 -48.439 1.00 0.00 H new ATOM 0 HG3 GLN A 98 4.333 -19.403 -49.155 1.00 0.00 H new ATOM 0 HE21 GLN A 98 5.835 -20.587 -47.582 1.00 0.00 H new ATOM 0 HE22 GLN A 98 5.178 -21.041 -46.006 1.00 0.00 H new ATOM 1431 N MET A 99 6.290 -17.362 -51.105 1.00 0.00 N ATOM 1432 CA MET A 99 6.162 -17.607 -52.571 1.00 0.00 C ATOM 1433 C MET A 99 7.516 -18.020 -53.153 1.00 0.00 C ATOM 1434 O MET A 99 7.589 -18.737 -54.132 1.00 0.00 O ATOM 1435 CB MET A 99 5.711 -16.270 -53.159 1.00 0.00 C ATOM 1436 CG MET A 99 4.300 -15.943 -52.662 1.00 0.00 C ATOM 1437 SD MET A 99 3.110 -17.054 -53.450 1.00 0.00 S ATOM 1438 CE MET A 99 2.248 -15.803 -54.433 1.00 0.00 C ATOM 0 H MET A 99 6.369 -16.382 -50.834 1.00 0.00 H new ATOM 0 HA MET A 99 5.458 -18.408 -52.798 1.00 0.00 H new ATOM 0 HB2 MET A 99 6.403 -15.480 -52.867 1.00 0.00 H new ATOM 0 HB3 MET A 99 5.723 -16.317 -54.248 1.00 0.00 H new ATOM 0 HG2 MET A 99 4.251 -16.050 -51.578 1.00 0.00 H new ATOM 0 HG3 MET A 99 4.053 -14.906 -52.892 1.00 0.00 H new ATOM 0 HE1 MET A 99 1.455 -16.277 -55.011 1.00 0.00 H new ATOM 0 HE2 MET A 99 1.815 -15.054 -53.770 1.00 0.00 H new ATOM 0 HE3 MET A 99 2.954 -15.323 -55.111 1.00 0.00 H new ATOM 1448 N SER A 100 8.589 -17.574 -52.555 1.00 0.00 N ATOM 1449 CA SER A 100 9.942 -17.941 -53.067 1.00 0.00 C ATOM 1450 C SER A 100 10.280 -19.381 -52.671 1.00 0.00 C ATOM 1451 O SER A 100 11.024 -20.063 -53.351 1.00 0.00 O ATOM 1452 CB SER A 100 10.901 -16.960 -52.394 1.00 0.00 C ATOM 1453 OG SER A 100 12.230 -17.242 -52.811 1.00 0.00 O ATOM 0 H SER A 100 8.587 -16.970 -51.733 1.00 0.00 H new ATOM 0 HA SER A 100 10.003 -17.886 -54.154 1.00 0.00 H new ATOM 0 HB2 SER A 100 10.635 -15.936 -52.656 1.00 0.00 H new ATOM 0 HB3 SER A 100 10.822 -17.042 -51.310 1.00 0.00 H new ATOM 0 HG SER A 100 12.848 -16.613 -52.382 1.00 0.00 H new ATOM 1459 N LEU A 101 9.738 -19.849 -51.579 1.00 0.00 N ATOM 1460 CA LEU A 101 10.023 -21.247 -51.139 1.00 0.00 C ATOM 1461 C LEU A 101 8.905 -22.184 -51.605 1.00 0.00 C ATOM 1462 O LEU A 101 8.654 -23.211 -51.007 1.00 0.00 O ATOM 1463 CB LEU A 101 10.067 -21.182 -49.608 1.00 0.00 C ATOM 1464 CG LEU A 101 11.504 -21.391 -49.114 1.00 0.00 C ATOM 1465 CD1 LEU A 101 12.030 -22.741 -49.607 1.00 0.00 C ATOM 1466 CD2 LEU A 101 12.399 -20.268 -49.645 1.00 0.00 C ATOM 0 H LEU A 101 9.109 -19.324 -50.971 1.00 0.00 H new ATOM 0 HA LEU A 101 10.954 -21.630 -51.556 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.693 -20.217 -49.266 1.00 0.00 H new ATOM 0 HB3 LEU A 101 9.414 -21.945 -49.185 1.00 0.00 H new ATOM 0 HG LEU A 101 11.513 -21.377 -48.024 1.00 0.00 H new ATOM 0 HD11 LEU A 101 13.051 -22.885 -49.254 1.00 0.00 H new ATOM 0 HD12 LEU A 101 11.397 -23.541 -49.222 1.00 0.00 H new ATOM 0 HD13 LEU A 101 12.017 -22.760 -50.697 1.00 0.00 H new ATOM 0 HD21 LEU A 101 13.419 -20.419 -49.293 1.00 0.00 H new ATOM 0 HD22 LEU A 101 12.386 -20.277 -50.735 1.00 0.00 H new ATOM 0 HD23 LEU A 101 12.029 -19.308 -49.286 1.00 0.00 H new