USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 661 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 46 LYS NZ :NH3+ -137:sc=-0.00345 (180deg=-0.718) USER MOD Set 1.2: A 49 SER OG : rot 110:sc= 0.132 USER MOD Set 2.1: A 36 HIS : no HD1:sc= -8.76! C(o=-8!,f=-5.2!) USER MOD Set 2.2: A 50 SER OG : rot -128:sc= 0.772 USER MOD Single : A 15 LYS NZ :NH3+ -166:sc= -0.0018 (180deg=-0.107) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -33:sc= 0.285! USER MOD Single : A 23 SER OG : rot 71:sc= 0.017 USER MOD Single : A 31 GLN : amide:sc= -1.02 X(o=-1,f=-0.59) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 167:sc= 0.434 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0337 USER MOD Single : A 45 GLN : amide:sc= -0.427 X(o=-0.43,f=-0.42) USER MOD Single : A 51 LYS NZ :NH3+ -171:sc= 0.00987 (180deg=-0.0293) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0.46) USER MOD Single : A 68 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0298) USER MOD Single : A 75 GLN : amide:sc= -0.783 K(o=-0.78,f=-2.6!) USER MOD Single : A 77 MET CE :methyl -141:sc= -3.65! (180deg=-8.78!) USER MOD Single : A 78 LYS NZ :NH3+ 136:sc= -0.064 (180deg=-0.737) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.43 USER MOD Single : A 90 GLN : amide:sc= -0.0959 X(o=-0.096,f=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 164 N LEU A 14 10.133 29.039 -7.854 1.00 0.00 N ATOM 165 CA LEU A 14 8.957 28.246 -8.194 1.00 0.00 C ATOM 166 C LEU A 14 9.173 26.776 -7.851 1.00 0.00 C ATOM 167 O LEU A 14 10.237 26.215 -8.114 1.00 0.00 O ATOM 168 CB LEU A 14 8.632 28.392 -9.682 1.00 0.00 C ATOM 169 CG LEU A 14 7.776 27.283 -10.294 1.00 0.00 C ATOM 170 CD1 LEU A 14 6.876 27.844 -11.384 1.00 0.00 C ATOM 171 CD2 LEU A 14 8.656 26.172 -10.846 1.00 0.00 C ATOM 0 HA LEU A 14 8.117 28.617 -7.607 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.119 29.343 -9.830 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.570 28.446 -10.235 1.00 0.00 H new ATOM 0 HG LEU A 14 7.145 26.863 -9.510 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.274 27.040 -11.808 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.220 28.603 -10.959 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.488 28.291 -12.167 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.029 25.392 -11.277 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.313 26.577 -11.616 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.258 25.750 -10.041 1.00 0.00 H new ATOM 183 N LYS A 15 8.156 26.155 -7.264 1.00 0.00 N ATOM 184 CA LYS A 15 8.231 24.748 -6.888 1.00 0.00 C ATOM 185 C LYS A 15 6.944 24.017 -7.254 1.00 0.00 C ATOM 186 O LYS A 15 5.899 24.638 -7.449 1.00 0.00 O ATOM 187 CB LYS A 15 8.497 24.614 -5.386 1.00 0.00 C ATOM 188 CG LYS A 15 9.567 25.560 -4.871 1.00 0.00 C ATOM 189 CD LYS A 15 10.169 25.065 -3.567 1.00 0.00 C ATOM 190 CE LYS A 15 9.218 25.277 -2.399 1.00 0.00 C ATOM 191 NZ LYS A 15 9.107 26.715 -2.028 1.00 0.00 N ATOM 0 H LYS A 15 7.269 26.604 -7.038 1.00 0.00 H new ATOM 0 HA LYS A 15 9.055 24.294 -7.439 1.00 0.00 H new ATOM 0 HB2 LYS A 15 7.570 24.798 -4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 15 8.795 23.588 -5.169 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.353 25.664 -5.619 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.137 26.550 -4.721 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.409 24.005 -3.655 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.105 25.589 -3.375 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.232 24.892 -2.659 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.567 24.706 -1.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.649 26.799 -1.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.057 27.137 -1.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.537 27.214 -2.741 1.00 0.00 H new ATOM 205 N TYR A 16 7.026 22.694 -7.346 1.00 0.00 N ATOM 206 CA TYR A 16 5.867 21.878 -7.690 1.00 0.00 C ATOM 207 C TYR A 16 6.019 20.460 -7.148 1.00 0.00 C ATOM 208 O TYR A 16 7.123 19.917 -7.103 1.00 0.00 O ATOM 209 CB TYR A 16 5.677 21.839 -9.207 1.00 0.00 C ATOM 210 CG TYR A 16 6.964 21.632 -9.973 1.00 0.00 C ATOM 211 CD1 TYR A 16 7.472 20.356 -10.184 1.00 0.00 C ATOM 212 CD2 TYR A 16 7.672 22.712 -10.486 1.00 0.00 C ATOM 213 CE1 TYR A 16 8.648 20.162 -10.883 1.00 0.00 C ATOM 214 CE2 TYR A 16 8.847 22.527 -11.188 1.00 0.00 C ATOM 215 CZ TYR A 16 9.331 21.251 -11.383 1.00 0.00 C ATOM 216 OH TYR A 16 10.503 21.062 -12.080 1.00 0.00 O ATOM 0 H TYR A 16 7.883 22.164 -7.187 1.00 0.00 H new ATOM 0 HA TYR A 16 4.987 22.330 -7.232 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.982 21.037 -9.457 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.217 22.772 -9.531 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.939 19.501 -9.795 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.297 23.713 -10.333 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.030 19.164 -11.037 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.384 23.377 -11.582 1.00 0.00 H new ATOM 0 HH TYR A 16 10.858 21.930 -12.365 1.00 0.00 H new ATOM 226 N GLU A 17 4.902 19.867 -6.740 1.00 0.00 N ATOM 227 CA GLU A 17 4.911 18.511 -6.201 1.00 0.00 C ATOM 228 C GLU A 17 3.846 17.651 -6.875 1.00 0.00 C ATOM 229 O GLU A 17 2.653 17.946 -6.796 1.00 0.00 O ATOM 230 CB GLU A 17 4.679 18.538 -4.689 1.00 0.00 C ATOM 231 CG GLU A 17 5.097 17.257 -3.987 1.00 0.00 C ATOM 232 CD GLU A 17 3.988 16.224 -3.948 1.00 0.00 C ATOM 233 OE1 GLU A 17 2.805 16.623 -3.916 1.00 0.00 O ATOM 234 OE2 GLU A 17 4.303 15.016 -3.951 1.00 0.00 O ATOM 0 H GLU A 17 3.980 20.303 -6.772 1.00 0.00 H new ATOM 0 HA GLU A 17 5.888 18.073 -6.403 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.231 19.374 -4.260 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.622 18.721 -4.495 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.964 16.835 -4.495 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.407 17.490 -2.968 1.00 0.00 H new ATOM 241 N ASP A 18 4.285 16.588 -7.539 1.00 0.00 N ATOM 242 CA ASP A 18 3.370 15.684 -8.227 1.00 0.00 C ATOM 243 C ASP A 18 2.370 15.076 -7.249 1.00 0.00 C ATOM 244 O ASP A 18 2.753 14.487 -6.238 1.00 0.00 O ATOM 245 CB ASP A 18 4.151 14.575 -8.933 1.00 0.00 C ATOM 246 CG ASP A 18 4.936 13.712 -7.964 1.00 0.00 C ATOM 247 OD1 ASP A 18 4.373 12.716 -7.467 1.00 0.00 O ATOM 248 OD2 ASP A 18 6.114 14.035 -7.703 1.00 0.00 O ATOM 0 H ASP A 18 5.269 16.331 -7.616 1.00 0.00 H new ATOM 0 HA ASP A 18 2.819 16.260 -8.971 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.458 13.948 -9.494 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.835 15.020 -9.655 1.00 0.00 H new ATOM 253 N LEU A 19 1.086 15.224 -7.557 1.00 0.00 N ATOM 254 CA LEU A 19 0.029 14.690 -6.705 1.00 0.00 C ATOM 255 C LEU A 19 -0.732 13.574 -7.415 1.00 0.00 C ATOM 256 O LEU A 19 -1.196 12.625 -6.783 1.00 0.00 O ATOM 257 CB LEU A 19 -0.938 15.804 -6.300 1.00 0.00 C ATOM 258 CG LEU A 19 -0.609 16.538 -5.000 1.00 0.00 C ATOM 259 CD1 LEU A 19 -1.538 17.727 -4.809 1.00 0.00 C ATOM 260 CD2 LEU A 19 -0.703 15.590 -3.813 1.00 0.00 C ATOM 0 H LEU A 19 0.752 15.709 -8.390 1.00 0.00 H new ATOM 0 HA LEU A 19 0.493 14.276 -5.810 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.977 16.536 -7.107 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.936 15.376 -6.210 1.00 0.00 H new ATOM 0 HG LEU A 19 0.414 16.908 -5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.289 18.237 -3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.421 18.418 -5.644 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.570 17.379 -4.767 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.466 16.130 -2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.715 15.189 -3.746 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.004 14.771 -3.945 1.00 0.00 H new ATOM 272 N THR A 20 -0.853 13.694 -8.733 1.00 0.00 N ATOM 273 CA THR A 20 -1.556 12.696 -9.530 1.00 0.00 C ATOM 274 C THR A 20 -1.181 12.805 -11.003 1.00 0.00 C ATOM 275 O THR A 20 -1.370 13.850 -11.625 1.00 0.00 O ATOM 276 CB THR A 20 -3.083 12.837 -9.388 1.00 0.00 C ATOM 277 OG1 THR A 20 -3.425 13.121 -8.027 1.00 0.00 O ATOM 278 CG2 THR A 20 -3.788 11.567 -9.840 1.00 0.00 C ATOM 0 H THR A 20 -0.473 14.473 -9.272 1.00 0.00 H new ATOM 0 HA THR A 20 -1.253 11.719 -9.152 1.00 0.00 H new ATOM 0 HB THR A 20 -3.410 13.660 -10.023 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.787 12.678 -7.430 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.865 11.690 -9.731 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.550 11.371 -10.885 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.455 10.729 -9.228 1.00 0.00 H new ATOM 286 N GLU A 21 -0.650 11.720 -11.557 1.00 0.00 N ATOM 287 CA GLU A 21 -0.249 11.695 -12.958 1.00 0.00 C ATOM 288 C GLU A 21 -1.434 12.005 -13.869 1.00 0.00 C ATOM 289 O GLU A 21 -2.567 11.621 -13.583 1.00 0.00 O ATOM 290 CB GLU A 21 0.342 10.331 -13.319 1.00 0.00 C ATOM 291 CG GLU A 21 1.328 10.381 -14.474 1.00 0.00 C ATOM 292 CD GLU A 21 1.493 9.038 -15.159 1.00 0.00 C ATOM 293 OE1 GLU A 21 1.686 8.030 -14.448 1.00 0.00 O ATOM 294 OE2 GLU A 21 1.429 8.995 -16.406 1.00 0.00 O ATOM 0 H GLU A 21 -0.488 10.846 -11.056 1.00 0.00 H new ATOM 0 HA GLU A 21 0.511 12.462 -13.105 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.842 9.918 -12.443 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.469 9.649 -13.574 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.991 11.118 -15.203 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.297 10.718 -14.105 1.00 0.00 H new ATOM 301 N GLY A 22 -1.162 12.704 -14.967 1.00 0.00 N ATOM 302 CA GLY A 22 -2.215 13.055 -15.902 1.00 0.00 C ATOM 303 C GLY A 22 -1.844 12.738 -17.337 1.00 0.00 C ATOM 304 O GLY A 22 -1.215 13.549 -18.017 1.00 0.00 O ATOM 0 H GLY A 22 -0.232 13.033 -15.225 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.126 12.517 -15.638 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.436 14.119 -15.813 1.00 0.00 H new ATOM 308 N SER A 23 -2.234 11.555 -17.800 1.00 0.00 N ATOM 309 CA SER A 23 -1.934 11.130 -19.162 1.00 0.00 C ATOM 310 C SER A 23 -3.037 11.566 -20.122 1.00 0.00 C ATOM 311 O SER A 23 -3.654 10.740 -20.793 1.00 0.00 O ATOM 312 CB SER A 23 -1.765 9.610 -19.219 1.00 0.00 C ATOM 313 OG SER A 23 -0.470 9.225 -18.791 1.00 0.00 O ATOM 0 H SER A 23 -2.759 10.873 -17.252 1.00 0.00 H new ATOM 0 HA SER A 23 -1.001 11.604 -19.467 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.516 9.133 -18.589 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.934 9.260 -20.237 1.00 0.00 H new ATOM 0 HG SER A 23 -0.390 9.365 -17.824 1.00 0.00 H new ATOM 319 N GLY A 24 -3.278 12.873 -20.182 1.00 0.00 N ATOM 320 CA GLY A 24 -4.305 13.398 -21.062 1.00 0.00 C ATOM 321 C GLY A 24 -3.734 14.261 -22.170 1.00 0.00 C ATOM 322 O GLY A 24 -3.672 13.840 -23.324 1.00 0.00 O ATOM 0 H GLY A 24 -2.780 13.577 -19.637 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.861 12.570 -21.501 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.014 13.984 -20.478 1.00 0.00 H new ATOM 326 N ALA A 25 -3.318 15.473 -21.818 1.00 0.00 N ATOM 327 CA ALA A 25 -2.750 16.398 -22.791 1.00 0.00 C ATOM 328 C ALA A 25 -2.152 17.620 -22.103 1.00 0.00 C ATOM 329 O ALA A 25 -2.818 18.285 -21.311 1.00 0.00 O ATOM 330 CB ALA A 25 -3.809 16.822 -23.798 1.00 0.00 C ATOM 0 H ALA A 25 -3.364 15.837 -20.866 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.948 15.883 -23.320 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.370 17.513 -24.518 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.186 15.943 -24.321 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.630 17.314 -23.277 1.00 0.00 H new ATOM 336 N GLU A 26 -0.891 17.908 -22.409 1.00 0.00 N ATOM 337 CA GLU A 26 -0.203 19.050 -21.818 1.00 0.00 C ATOM 338 C GLU A 26 -0.776 20.363 -22.345 1.00 0.00 C ATOM 339 O GLU A 26 -0.988 20.521 -23.547 1.00 0.00 O ATOM 340 CB GLU A 26 1.296 18.980 -22.112 1.00 0.00 C ATOM 341 CG GLU A 26 2.071 20.189 -21.618 1.00 0.00 C ATOM 342 CD GLU A 26 3.536 20.143 -22.008 1.00 0.00 C ATOM 343 OE1 GLU A 26 4.256 19.256 -21.504 1.00 0.00 O ATOM 344 OE2 GLU A 26 3.962 20.994 -22.816 1.00 0.00 O ATOM 0 H GLU A 26 -0.325 17.367 -23.062 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.355 19.014 -20.739 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.707 18.082 -21.650 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.442 18.880 -23.188 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.620 21.095 -22.022 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.990 20.249 -20.533 1.00 0.00 H new ATOM 351 N ALA A 27 -1.023 21.301 -21.437 1.00 0.00 N ATOM 352 CA ALA A 27 -1.569 22.600 -21.810 1.00 0.00 C ATOM 353 C ALA A 27 -0.744 23.244 -22.920 1.00 0.00 C ATOM 354 O ALA A 27 0.478 23.103 -22.959 1.00 0.00 O ATOM 355 CB ALA A 27 -1.629 23.515 -20.596 1.00 0.00 C ATOM 0 H ALA A 27 -0.854 21.186 -20.438 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.580 22.447 -22.187 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.039 24.482 -20.889 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.266 23.067 -19.834 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.625 23.653 -20.194 1.00 0.00 H new ATOM 361 N ARG A 28 -1.421 23.950 -23.820 1.00 0.00 N ATOM 362 CA ARG A 28 -0.751 24.613 -24.931 1.00 0.00 C ATOM 363 C ARG A 28 -0.828 26.130 -24.785 1.00 0.00 C ATOM 364 O ARG A 28 -1.813 26.666 -24.278 1.00 0.00 O ATOM 365 CB ARG A 28 -1.376 24.186 -26.260 1.00 0.00 C ATOM 366 CG ARG A 28 -1.005 22.773 -26.682 1.00 0.00 C ATOM 367 CD ARG A 28 0.497 22.624 -26.868 1.00 0.00 C ATOM 368 NE ARG A 28 0.843 22.245 -28.235 1.00 0.00 N ATOM 369 CZ ARG A 28 2.078 21.949 -28.625 1.00 0.00 C ATOM 370 NH1 ARG A 28 3.079 21.988 -27.756 1.00 0.00 N ATOM 371 NH2 ARG A 28 2.315 21.613 -29.887 1.00 0.00 N ATOM 0 H ARG A 28 -2.433 24.077 -23.801 1.00 0.00 H new ATOM 0 HA ARG A 28 0.298 24.316 -24.919 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.461 24.260 -26.182 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.064 24.882 -27.039 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.352 22.064 -25.930 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.515 22.524 -27.613 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.989 23.564 -26.617 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.875 21.871 -26.176 1.00 0.00 H new ATOM 0 HE ARG A 28 0.096 22.205 -28.928 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.902 22.246 -26.785 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.026 21.760 -28.058 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.548 21.582 -30.559 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.264 21.386 -30.185 1.00 0.00 H new ATOM 385 N ALA A 29 0.218 26.817 -25.233 1.00 0.00 N ATOM 386 CA ALA A 29 0.268 28.271 -25.154 1.00 0.00 C ATOM 387 C ALA A 29 -0.814 28.906 -26.020 1.00 0.00 C ATOM 388 O ALA A 29 -0.942 28.589 -27.202 1.00 0.00 O ATOM 389 CB ALA A 29 1.642 28.776 -25.569 1.00 0.00 C ATOM 0 H ALA A 29 1.042 26.389 -25.655 1.00 0.00 H new ATOM 0 HA ALA A 29 0.084 28.559 -24.119 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.664 29.864 -25.505 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.399 28.358 -24.906 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.848 28.469 -26.594 1.00 0.00 H new ATOM 395 N GLY A 30 -1.593 29.803 -25.423 1.00 0.00 N ATOM 396 CA GLY A 30 -2.656 30.467 -26.156 1.00 0.00 C ATOM 397 C GLY A 30 -3.901 29.612 -26.273 1.00 0.00 C ATOM 398 O GLY A 30 -4.872 30.004 -26.919 1.00 0.00 O ATOM 0 H GLY A 30 -1.507 30.082 -24.446 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.907 31.403 -25.657 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.300 30.723 -27.154 1.00 0.00 H new ATOM 402 N GLN A 31 -3.873 28.439 -25.648 1.00 0.00 N ATOM 403 CA GLN A 31 -5.008 27.525 -25.688 1.00 0.00 C ATOM 404 C GLN A 31 -5.857 27.656 -24.427 1.00 0.00 C ATOM 405 O GLN A 31 -5.331 27.734 -23.317 1.00 0.00 O ATOM 406 CB GLN A 31 -4.524 26.083 -25.843 1.00 0.00 C ATOM 407 CG GLN A 31 -5.553 25.160 -26.475 1.00 0.00 C ATOM 408 CD GLN A 31 -4.936 23.891 -27.032 1.00 0.00 C ATOM 409 OE1 GLN A 31 -5.231 22.789 -26.569 1.00 0.00 O ATOM 410 NE2 GLN A 31 -4.074 24.041 -28.031 1.00 0.00 N ATOM 0 H GLN A 31 -3.077 28.100 -25.108 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.624 27.788 -26.548 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.620 26.076 -26.451 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.252 25.693 -24.862 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.305 24.897 -25.731 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.068 25.691 -27.276 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.859 24.974 -28.383 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.627 23.223 -28.446 1.00 0.00 H new ATOM 419 N THR A 32 -7.174 27.680 -24.606 1.00 0.00 N ATOM 420 CA THR A 32 -8.096 27.803 -23.484 1.00 0.00 C ATOM 421 C THR A 32 -8.274 26.468 -22.770 1.00 0.00 C ATOM 422 O THR A 32 -8.552 25.448 -23.400 1.00 0.00 O ATOM 423 CB THR A 32 -9.474 28.315 -23.943 1.00 0.00 C ATOM 424 OG1 THR A 32 -9.326 29.543 -24.664 1.00 0.00 O ATOM 425 CG2 THR A 32 -10.396 28.528 -22.752 1.00 0.00 C ATOM 0 H THR A 32 -7.626 27.616 -25.518 1.00 0.00 H new ATOM 0 HA THR A 32 -7.660 28.525 -22.794 1.00 0.00 H new ATOM 0 HB THR A 32 -9.917 27.563 -24.596 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.207 29.861 -24.954 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.363 28.890 -23.101 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.531 27.585 -22.223 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.956 29.263 -22.078 1.00 0.00 H new ATOM 433 N VAL A 33 -8.113 26.482 -21.451 1.00 0.00 N ATOM 434 CA VAL A 33 -8.258 25.272 -20.650 1.00 0.00 C ATOM 435 C VAL A 33 -8.864 25.585 -19.287 1.00 0.00 C ATOM 436 O VAL A 33 -8.816 26.723 -18.820 1.00 0.00 O ATOM 437 CB VAL A 33 -6.903 24.567 -20.448 1.00 0.00 C ATOM 438 CG1 VAL A 33 -6.223 24.324 -21.786 1.00 0.00 C ATOM 439 CG2 VAL A 33 -6.010 25.385 -19.527 1.00 0.00 C ATOM 0 H VAL A 33 -7.882 27.318 -20.914 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.927 24.608 -21.198 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.082 23.600 -19.978 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.268 23.825 -21.623 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.859 23.695 -22.409 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.054 25.277 -22.287 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.057 24.873 -19.395 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.836 26.367 -19.967 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.496 25.502 -18.558 1.00 0.00 H new ATOM 449 N SER A 34 -9.436 24.566 -18.652 1.00 0.00 N ATOM 450 CA SER A 34 -10.055 24.732 -17.342 1.00 0.00 C ATOM 451 C SER A 34 -9.346 23.880 -16.294 1.00 0.00 C ATOM 452 O SER A 34 -9.067 22.703 -16.519 1.00 0.00 O ATOM 453 CB SER A 34 -11.537 24.357 -17.404 1.00 0.00 C ATOM 454 OG SER A 34 -12.203 25.078 -18.426 1.00 0.00 O ATOM 0 H SER A 34 -9.483 23.617 -19.024 1.00 0.00 H new ATOM 0 HA SER A 34 -9.964 25.779 -17.055 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.637 23.287 -17.585 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.008 24.563 -16.443 1.00 0.00 H new ATOM 0 HG SER A 34 -13.148 24.819 -18.446 1.00 0.00 H new ATOM 460 N VAL A 35 -9.058 24.485 -15.146 1.00 0.00 N ATOM 461 CA VAL A 35 -8.383 23.783 -14.061 1.00 0.00 C ATOM 462 C VAL A 35 -8.900 24.242 -12.702 1.00 0.00 C ATOM 463 O VAL A 35 -9.644 25.219 -12.608 1.00 0.00 O ATOM 464 CB VAL A 35 -6.858 23.998 -14.116 1.00 0.00 C ATOM 465 CG1 VAL A 35 -6.336 23.759 -15.524 1.00 0.00 C ATOM 466 CG2 VAL A 35 -6.500 25.396 -13.636 1.00 0.00 C ATOM 0 H VAL A 35 -9.282 25.459 -14.943 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.599 22.722 -14.189 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.382 23.277 -13.451 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.257 23.915 -15.544 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.560 22.736 -15.826 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.816 24.454 -16.213 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.419 25.531 -13.681 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.985 26.135 -14.274 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.839 25.526 -12.608 1.00 0.00 H new ATOM 476 N HIS A 36 -8.502 23.532 -11.652 1.00 0.00 N ATOM 477 CA HIS A 36 -8.925 23.868 -10.297 1.00 0.00 C ATOM 478 C HIS A 36 -7.748 24.379 -9.471 1.00 0.00 C ATOM 479 O HIS A 36 -6.677 23.772 -9.457 1.00 0.00 O ATOM 480 CB HIS A 36 -9.548 22.648 -9.617 1.00 0.00 C ATOM 481 CG HIS A 36 -11.043 22.613 -9.703 1.00 0.00 C ATOM 482 ND1 HIS A 36 -11.848 23.624 -9.224 1.00 0.00 N ATOM 483 CD2 HIS A 36 -11.878 21.680 -10.218 1.00 0.00 C ATOM 484 CE1 HIS A 36 -13.114 23.315 -9.439 1.00 0.00 C ATOM 485 NE2 HIS A 36 -13.160 22.140 -10.042 1.00 0.00 N ATOM 0 H HIS A 36 -7.887 22.720 -11.713 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.672 24.659 -10.362 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -9.145 21.743 -10.072 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -9.252 22.636 -8.568 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -11.590 20.748 -10.681 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -13.967 23.920 -9.168 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -14.009 21.654 -10.330 1.00 0.00 H new ATOM 493 N TYR A 37 -7.954 25.499 -8.787 1.00 0.00 N ATOM 494 CA TYR A 37 -6.910 26.093 -7.962 1.00 0.00 C ATOM 495 C TYR A 37 -7.308 26.085 -6.489 1.00 0.00 C ATOM 496 O TYR A 37 -8.466 26.324 -6.145 1.00 0.00 O ATOM 497 CB TYR A 37 -6.625 27.526 -8.417 1.00 0.00 C ATOM 498 CG TYR A 37 -7.783 28.472 -8.198 1.00 0.00 C ATOM 499 CD1 TYR A 37 -8.009 29.051 -6.956 1.00 0.00 C ATOM 500 CD2 TYR A 37 -8.653 28.788 -9.235 1.00 0.00 C ATOM 501 CE1 TYR A 37 -9.066 29.916 -6.752 1.00 0.00 C ATOM 502 CE2 TYR A 37 -9.712 29.652 -9.041 1.00 0.00 C ATOM 503 CZ TYR A 37 -9.915 30.213 -7.798 1.00 0.00 C ATOM 504 OH TYR A 37 -10.970 31.075 -7.599 1.00 0.00 O ATOM 0 H TYR A 37 -8.835 26.013 -8.788 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.006 25.495 -8.078 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.753 27.902 -7.881 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.369 27.518 -9.476 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -7.346 28.821 -6.135 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -8.498 28.350 -10.210 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -9.227 30.357 -5.780 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.378 29.887 -9.858 1.00 0.00 H new ATOM 0 HH TYR A 37 -11.470 31.179 -8.436 1.00 0.00 H new ATOM 514 N THR A 38 -6.339 25.809 -5.622 1.00 0.00 N ATOM 515 CA THR A 38 -6.586 25.769 -4.186 1.00 0.00 C ATOM 516 C THR A 38 -5.487 26.495 -3.419 1.00 0.00 C ATOM 517 O THR A 38 -4.358 26.016 -3.329 1.00 0.00 O ATOM 518 CB THR A 38 -6.682 24.319 -3.673 1.00 0.00 C ATOM 519 OG1 THR A 38 -6.723 23.410 -4.779 1.00 0.00 O ATOM 520 CG2 THR A 38 -7.921 24.132 -2.811 1.00 0.00 C ATOM 0 H THR A 38 -5.375 25.610 -5.890 1.00 0.00 H new ATOM 0 HA THR A 38 -7.538 26.271 -4.015 1.00 0.00 H new ATOM 0 HB THR A 38 -5.801 24.112 -3.066 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.575 22.496 -4.457 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.968 23.101 -2.460 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.874 24.805 -1.955 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.811 24.356 -3.399 1.00 0.00 H new ATOM 528 N GLY A 39 -5.827 27.656 -2.866 1.00 0.00 N ATOM 529 CA GLY A 39 -4.858 28.430 -2.112 1.00 0.00 C ATOM 530 C GLY A 39 -4.709 27.941 -0.685 1.00 0.00 C ATOM 531 O GLY A 39 -5.698 27.786 0.031 1.00 0.00 O ATOM 0 H GLY A 39 -6.756 28.074 -2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.891 28.382 -2.612 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.161 29.477 -2.104 1.00 0.00 H new ATOM 535 N TRP A 40 -3.471 27.697 -0.271 1.00 0.00 N ATOM 536 CA TRP A 40 -3.197 27.221 1.080 1.00 0.00 C ATOM 537 C TRP A 40 -2.075 28.027 1.724 1.00 0.00 C ATOM 538 O TRP A 40 -1.046 28.287 1.099 1.00 0.00 O ATOM 539 CB TRP A 40 -2.826 25.737 1.055 1.00 0.00 C ATOM 540 CG TRP A 40 -4.015 24.829 0.957 1.00 0.00 C ATOM 541 CD1 TRP A 40 -5.198 24.953 1.628 1.00 0.00 C ATOM 542 CD2 TRP A 40 -4.134 23.659 0.142 1.00 0.00 C ATOM 543 NE1 TRP A 40 -6.045 23.929 1.279 1.00 0.00 N ATOM 544 CE2 TRP A 40 -5.417 23.122 0.368 1.00 0.00 C ATOM 545 CE3 TRP A 40 -3.283 23.012 -0.759 1.00 0.00 C ATOM 546 CZ2 TRP A 40 -5.865 21.970 -0.273 1.00 0.00 C ATOM 547 CZ3 TRP A 40 -3.730 21.869 -1.394 1.00 0.00 C ATOM 548 CH2 TRP A 40 -5.011 21.358 -1.150 1.00 0.00 C ATOM 0 H TRP A 40 -2.641 27.821 -0.851 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.101 27.352 1.675 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.164 25.550 0.210 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.266 25.495 1.958 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.433 25.740 2.329 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -6.989 23.792 1.640 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.294 23.399 -0.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -6.852 21.573 -0.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -3.080 21.361 -2.091 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -5.331 20.464 -1.664 1.00 0.00 H new ATOM 559 N LEU A 41 -2.279 28.421 2.977 1.00 0.00 N ATOM 560 CA LEU A 41 -1.283 29.198 3.706 1.00 0.00 C ATOM 561 C LEU A 41 -0.156 28.302 4.212 1.00 0.00 C ATOM 562 O LEU A 41 -0.260 27.076 4.176 1.00 0.00 O ATOM 563 CB LEU A 41 -1.936 29.927 4.881 1.00 0.00 C ATOM 564 CG LEU A 41 -2.309 31.391 4.640 1.00 0.00 C ATOM 565 CD1 LEU A 41 -2.973 31.983 5.873 1.00 0.00 C ATOM 566 CD2 LEU A 41 -1.077 32.198 4.256 1.00 0.00 C ATOM 0 H LEU A 41 -3.125 28.215 3.509 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.859 29.932 3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.839 29.385 5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.258 29.881 5.733 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.020 31.434 3.815 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.231 33.025 5.683 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.878 31.421 6.104 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.286 31.928 6.718 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.360 33.237 4.088 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.344 32.147 5.061 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.644 31.788 3.344 1.00 0.00 H new ATOM 578 N THR A 42 0.920 28.924 4.685 1.00 0.00 N ATOM 579 CA THR A 42 2.065 28.183 5.200 1.00 0.00 C ATOM 580 C THR A 42 1.644 27.211 6.295 1.00 0.00 C ATOM 581 O THR A 42 2.105 26.070 6.336 1.00 0.00 O ATOM 582 CB THR A 42 3.142 29.132 5.758 1.00 0.00 C ATOM 583 OG1 THR A 42 2.634 29.834 6.898 1.00 0.00 O ATOM 584 CG2 THR A 42 3.587 30.130 4.698 1.00 0.00 C ATOM 0 H THR A 42 1.022 29.938 4.722 1.00 0.00 H new ATOM 0 HA THR A 42 2.482 27.623 4.363 1.00 0.00 H new ATOM 0 HB THR A 42 4.003 28.533 6.055 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.326 30.434 7.248 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.348 30.789 5.116 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.001 29.594 3.844 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.731 30.723 4.374 1.00 0.00 H new ATOM 592 N ASP A 43 0.766 27.668 7.181 1.00 0.00 N ATOM 593 CA ASP A 43 0.281 26.837 8.277 1.00 0.00 C ATOM 594 C ASP A 43 -0.755 25.834 7.780 1.00 0.00 C ATOM 595 O ASP A 43 -1.013 24.821 8.428 1.00 0.00 O ATOM 596 CB ASP A 43 -0.322 27.710 9.378 1.00 0.00 C ATOM 597 CG ASP A 43 0.736 28.402 10.214 1.00 0.00 C ATOM 598 OD1 ASP A 43 1.926 28.049 10.074 1.00 0.00 O ATOM 599 OD2 ASP A 43 0.375 29.295 11.009 1.00 0.00 O ATOM 0 H ASP A 43 0.375 28.610 7.162 1.00 0.00 H new ATOM 0 HA ASP A 43 1.128 26.285 8.685 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.972 28.460 8.928 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.946 27.094 10.025 1.00 0.00 H new ATOM 604 N GLY A 44 -1.347 26.124 6.625 1.00 0.00 N ATOM 605 CA GLY A 44 -2.349 25.238 6.062 1.00 0.00 C ATOM 606 C GLY A 44 -3.707 25.900 5.944 1.00 0.00 C ATOM 607 O GLY A 44 -4.682 25.263 5.547 1.00 0.00 O ATOM 0 H GLY A 44 -1.150 26.957 6.069 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.023 24.906 5.076 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -2.435 24.348 6.686 1.00 0.00 H new ATOM 611 N GLN A 45 -3.772 27.182 6.292 1.00 0.00 N ATOM 612 CA GLN A 45 -5.022 27.929 6.225 1.00 0.00 C ATOM 613 C GLN A 45 -5.443 28.156 4.777 1.00 0.00 C ATOM 614 O GLN A 45 -4.792 28.895 4.038 1.00 0.00 O ATOM 615 CB GLN A 45 -4.877 29.272 6.943 1.00 0.00 C ATOM 616 CG GLN A 45 -6.123 29.691 7.707 1.00 0.00 C ATOM 617 CD GLN A 45 -6.573 28.645 8.707 1.00 0.00 C ATOM 618 OE1 GLN A 45 -5.892 28.383 9.698 1.00 0.00 O ATOM 619 NE2 GLN A 45 -7.728 28.040 8.452 1.00 0.00 N ATOM 0 H GLN A 45 -2.974 27.724 6.623 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.795 27.341 6.721 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.038 29.215 7.636 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.634 30.042 6.211 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -5.927 30.627 8.230 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.930 29.884 7.000 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.261 28.288 7.618 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.082 27.327 9.090 1.00 0.00 H new ATOM 628 N LYS A 46 -6.537 27.516 4.377 1.00 0.00 N ATOM 629 CA LYS A 46 -7.047 27.648 3.017 1.00 0.00 C ATOM 630 C LYS A 46 -7.694 29.014 2.809 1.00 0.00 C ATOM 631 O LYS A 46 -8.465 29.481 3.648 1.00 0.00 O ATOM 632 CB LYS A 46 -8.061 26.541 2.721 1.00 0.00 C ATOM 633 CG LYS A 46 -8.706 26.658 1.351 1.00 0.00 C ATOM 634 CD LYS A 46 -9.873 25.696 1.201 1.00 0.00 C ATOM 635 CE LYS A 46 -9.404 24.310 0.787 1.00 0.00 C ATOM 636 NZ LYS A 46 -10.540 23.440 0.375 1.00 0.00 N ATOM 0 H LYS A 46 -7.088 26.901 4.976 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.206 27.555 2.330 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.564 25.574 2.798 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.840 26.560 3.483 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.053 27.680 1.197 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.964 26.454 0.579 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.416 25.631 2.144 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.571 26.082 0.458 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.696 24.397 -0.037 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.872 23.844 1.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.414 22.490 0.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.432 23.848 0.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.568 23.374 -0.663 1.00 0.00 H new ATOM 650 N PHE A 47 -7.377 29.649 1.686 1.00 0.00 N ATOM 651 CA PHE A 47 -7.928 30.961 1.367 1.00 0.00 C ATOM 652 C PHE A 47 -8.430 31.005 -0.073 1.00 0.00 C ATOM 653 O PHE A 47 -8.553 32.077 -0.666 1.00 0.00 O ATOM 654 CB PHE A 47 -6.873 32.047 1.585 1.00 0.00 C ATOM 655 CG PHE A 47 -5.597 31.803 0.832 1.00 0.00 C ATOM 656 CD1 PHE A 47 -5.475 32.185 -0.494 1.00 0.00 C ATOM 657 CD2 PHE A 47 -4.518 31.192 1.450 1.00 0.00 C ATOM 658 CE1 PHE A 47 -4.302 31.961 -1.190 1.00 0.00 C ATOM 659 CE2 PHE A 47 -3.342 30.965 0.760 1.00 0.00 C ATOM 660 CZ PHE A 47 -3.234 31.351 -0.562 1.00 0.00 C ATOM 0 H PHE A 47 -6.741 29.276 0.981 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.771 31.145 2.032 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.286 33.009 1.282 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.650 32.117 2.650 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.306 32.664 -0.990 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.597 30.889 2.484 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.221 32.263 -2.224 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.509 30.487 1.254 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.316 31.176 -1.103 1.00 0.00 H new ATOM 670 N ASP A 48 -8.717 29.833 -0.629 1.00 0.00 N ATOM 671 CA ASP A 48 -9.206 29.737 -2.000 1.00 0.00 C ATOM 672 C ASP A 48 -9.467 28.284 -2.383 1.00 0.00 C ATOM 673 O ASP A 48 -8.575 27.440 -2.300 1.00 0.00 O ATOM 674 CB ASP A 48 -8.198 30.359 -2.968 1.00 0.00 C ATOM 675 CG ASP A 48 -8.687 31.673 -3.547 1.00 0.00 C ATOM 676 OD1 ASP A 48 -9.905 31.795 -3.796 1.00 0.00 O ATOM 677 OD2 ASP A 48 -7.851 32.578 -3.749 1.00 0.00 O ATOM 0 H ASP A 48 -8.620 28.937 -0.152 1.00 0.00 H new ATOM 0 HA ASP A 48 -10.146 30.285 -2.064 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.254 30.523 -2.449 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.998 29.659 -3.780 1.00 0.00 H new ATOM 682 N SER A 49 -10.696 27.999 -2.800 1.00 0.00 N ATOM 683 CA SER A 49 -11.077 26.646 -3.191 1.00 0.00 C ATOM 684 C SER A 49 -12.221 26.674 -4.200 1.00 0.00 C ATOM 685 O SER A 49 -13.390 26.768 -3.827 1.00 0.00 O ATOM 686 CB SER A 49 -11.486 25.833 -1.961 1.00 0.00 C ATOM 687 OG SER A 49 -12.444 24.845 -2.299 1.00 0.00 O ATOM 0 H SER A 49 -11.446 28.687 -2.876 1.00 0.00 H new ATOM 0 HA SER A 49 -10.214 26.173 -3.660 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.607 25.358 -1.526 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.897 26.498 -1.202 1.00 0.00 H new ATOM 0 HG SER A 49 -12.034 23.957 -2.238 1.00 0.00 H new ATOM 693 N SER A 50 -11.874 26.591 -5.481 1.00 0.00 N ATOM 694 CA SER A 50 -12.871 26.611 -6.545 1.00 0.00 C ATOM 695 C SER A 50 -13.689 25.323 -6.547 1.00 0.00 C ATOM 696 O SER A 50 -14.808 25.286 -7.058 1.00 0.00 O ATOM 697 CB SER A 50 -12.193 26.799 -7.904 1.00 0.00 C ATOM 698 OG SER A 50 -10.790 26.629 -7.802 1.00 0.00 O ATOM 0 H SER A 50 -10.911 26.509 -5.807 1.00 0.00 H new ATOM 0 HA SER A 50 -13.544 27.449 -6.363 1.00 0.00 H new ATOM 0 HB2 SER A 50 -12.598 26.082 -8.618 1.00 0.00 H new ATOM 0 HB3 SER A 50 -12.415 27.794 -8.290 1.00 0.00 H new ATOM 0 HG SER A 50 -10.337 27.402 -8.199 1.00 0.00 H new ATOM 704 N LYS A 51 -13.122 24.269 -5.970 1.00 0.00 N ATOM 705 CA LYS A 51 -13.797 22.978 -5.902 1.00 0.00 C ATOM 706 C LYS A 51 -14.994 23.039 -4.959 1.00 0.00 C ATOM 707 O LYS A 51 -16.092 22.602 -5.304 1.00 0.00 O ATOM 708 CB LYS A 51 -12.823 21.894 -5.438 1.00 0.00 C ATOM 709 CG LYS A 51 -11.625 21.719 -6.355 1.00 0.00 C ATOM 710 CD LYS A 51 -11.782 20.502 -7.252 1.00 0.00 C ATOM 711 CE LYS A 51 -11.657 19.208 -6.462 1.00 0.00 C ATOM 712 NZ LYS A 51 -10.253 18.951 -6.037 1.00 0.00 N ATOM 0 H LYS A 51 -12.196 24.283 -5.542 1.00 0.00 H new ATOM 0 HA LYS A 51 -14.156 22.731 -6.901 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.470 22.139 -4.436 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.356 20.946 -5.365 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.502 22.611 -6.969 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.720 21.617 -5.757 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.753 20.536 -7.746 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.025 20.526 -8.036 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.300 19.256 -5.583 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.010 18.375 -7.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.181 17.994 -5.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.621 19.031 -6.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.975 19.648 -5.317 1.00 0.00 H new ATOM 726 N ASP A 52 -14.775 23.585 -3.768 1.00 0.00 N ATOM 727 CA ASP A 52 -15.837 23.705 -2.775 1.00 0.00 C ATOM 728 C ASP A 52 -16.984 24.559 -3.307 1.00 0.00 C ATOM 729 O ASP A 52 -18.105 24.493 -2.803 1.00 0.00 O ATOM 730 CB ASP A 52 -15.289 24.313 -1.483 1.00 0.00 C ATOM 731 CG ASP A 52 -16.373 24.547 -0.448 1.00 0.00 C ATOM 732 OD1 ASP A 52 -17.279 23.695 -0.337 1.00 0.00 O ATOM 733 OD2 ASP A 52 -16.314 25.581 0.249 1.00 0.00 O ATOM 0 H ASP A 52 -13.872 23.952 -3.466 1.00 0.00 H new ATOM 0 HA ASP A 52 -16.219 22.706 -2.564 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -14.530 23.651 -1.067 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.797 25.259 -1.710 1.00 0.00 H new ATOM 738 N ARG A 53 -16.695 25.360 -4.327 1.00 0.00 N ATOM 739 CA ARG A 53 -17.701 26.228 -4.926 1.00 0.00 C ATOM 740 C ARG A 53 -18.185 25.662 -6.257 1.00 0.00 C ATOM 741 O ARG A 53 -18.977 26.290 -6.959 1.00 0.00 O ATOM 742 CB ARG A 53 -17.135 27.634 -5.133 1.00 0.00 C ATOM 743 CG ARG A 53 -18.203 28.706 -5.276 1.00 0.00 C ATOM 744 CD ARG A 53 -17.718 29.865 -6.133 1.00 0.00 C ATOM 745 NE ARG A 53 -16.484 30.450 -5.615 1.00 0.00 N ATOM 746 CZ ARG A 53 -16.448 31.317 -4.610 1.00 0.00 C ATOM 747 NH1 ARG A 53 -17.571 31.697 -4.017 1.00 0.00 N ATOM 748 NH2 ARG A 53 -15.286 31.806 -4.195 1.00 0.00 N ATOM 0 H ARG A 53 -15.772 25.426 -4.756 1.00 0.00 H new ATOM 0 HA ARG A 53 -18.550 26.282 -4.244 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -16.491 27.885 -4.290 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -16.508 27.636 -6.025 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -19.098 28.272 -5.722 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -18.485 29.074 -4.290 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -17.554 29.518 -7.153 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -18.492 30.631 -6.178 1.00 0.00 H new ATOM 0 HE ARG A 53 -15.602 30.178 -6.049 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -18.466 31.323 -4.332 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -17.540 32.363 -3.245 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -14.420 31.516 -4.648 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -15.260 32.472 -3.423 1.00 0.00 H new ATOM 762 N ASN A 54 -17.703 24.471 -6.598 1.00 0.00 N ATOM 763 CA ASN A 54 -18.086 23.821 -7.846 1.00 0.00 C ATOM 764 C ASN A 54 -17.900 24.764 -9.031 1.00 0.00 C ATOM 765 O ASN A 54 -18.621 24.678 -10.025 1.00 0.00 O ATOM 766 CB ASN A 54 -19.540 23.352 -7.776 1.00 0.00 C ATOM 767 CG ASN A 54 -19.759 22.037 -8.499 1.00 0.00 C ATOM 768 OD1 ASN A 54 -19.536 21.934 -9.705 1.00 0.00 O ATOM 769 ND2 ASN A 54 -20.200 21.023 -7.763 1.00 0.00 N ATOM 0 H ASN A 54 -17.047 23.937 -6.028 1.00 0.00 H new ATOM 0 HA ASN A 54 -17.439 22.956 -7.989 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -19.834 23.243 -6.732 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -20.186 24.115 -8.211 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -20.367 20.114 -8.195 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -20.372 21.153 -6.766 1.00 0.00 H new ATOM 776 N ASP A 55 -16.930 25.664 -8.917 1.00 0.00 N ATOM 777 CA ASP A 55 -16.648 26.623 -9.979 1.00 0.00 C ATOM 778 C ASP A 55 -15.202 26.502 -10.451 1.00 0.00 C ATOM 779 O ASP A 55 -14.282 27.075 -9.867 1.00 0.00 O ATOM 780 CB ASP A 55 -16.921 28.048 -9.494 1.00 0.00 C ATOM 781 CG ASP A 55 -16.865 29.063 -10.619 1.00 0.00 C ATOM 782 OD1 ASP A 55 -15.756 29.548 -10.925 1.00 0.00 O ATOM 783 OD2 ASP A 55 -17.931 29.373 -11.192 1.00 0.00 O ATOM 0 H ASP A 55 -16.326 25.750 -8.100 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.306 26.401 -10.819 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -17.903 28.086 -9.022 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -16.190 28.315 -8.731 1.00 0.00 H new ATOM 788 N PRO A 56 -14.995 25.737 -11.533 1.00 0.00 N ATOM 789 CA PRO A 56 -13.664 25.522 -12.108 1.00 0.00 C ATOM 790 C PRO A 56 -13.108 26.778 -12.768 1.00 0.00 C ATOM 791 O PRO A 56 -13.844 27.538 -13.398 1.00 0.00 O ATOM 792 CB PRO A 56 -13.901 24.428 -13.152 1.00 0.00 C ATOM 793 CG PRO A 56 -15.337 24.564 -13.524 1.00 0.00 C ATOM 794 CD PRO A 56 -16.045 25.023 -12.280 1.00 0.00 C ATOM 0 HA PRO A 56 -12.930 25.253 -11.348 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -13.253 24.561 -14.019 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.690 23.439 -12.744 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -15.464 25.283 -14.333 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -15.741 23.614 -13.875 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -16.886 25.676 -12.514 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -16.442 24.183 -11.711 1.00 0.00 H new ATOM 802 N PHE A 57 -11.804 26.991 -12.622 1.00 0.00 N ATOM 803 CA PHE A 57 -11.149 28.156 -13.204 1.00 0.00 C ATOM 804 C PHE A 57 -10.890 27.947 -14.693 1.00 0.00 C ATOM 805 O PHE A 57 -9.995 27.194 -15.078 1.00 0.00 O ATOM 806 CB PHE A 57 -9.832 28.442 -12.481 1.00 0.00 C ATOM 807 CG PHE A 57 -9.094 29.631 -13.026 1.00 0.00 C ATOM 808 CD1 PHE A 57 -9.772 30.797 -13.347 1.00 0.00 C ATOM 809 CD2 PHE A 57 -7.723 29.584 -13.219 1.00 0.00 C ATOM 810 CE1 PHE A 57 -9.096 31.892 -13.850 1.00 0.00 C ATOM 811 CE2 PHE A 57 -7.041 30.677 -13.721 1.00 0.00 C ATOM 812 CZ PHE A 57 -7.728 31.832 -14.036 1.00 0.00 C ATOM 0 H PHE A 57 -11.180 26.371 -12.105 1.00 0.00 H new ATOM 0 HA PHE A 57 -11.813 29.012 -13.085 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -10.036 28.605 -11.423 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.191 27.563 -12.550 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -10.841 30.850 -13.202 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.180 28.683 -12.974 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -9.636 32.794 -14.098 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.972 30.627 -13.866 1.00 0.00 H new ATOM 0 HZ PHE A 57 -7.197 32.687 -14.427 1.00 0.00 H new ATOM 822 N ALA A 58 -11.679 28.617 -15.526 1.00 0.00 N ATOM 823 CA ALA A 58 -11.535 28.506 -16.972 1.00 0.00 C ATOM 824 C ALA A 58 -10.767 29.695 -17.540 1.00 0.00 C ATOM 825 O ALA A 58 -11.294 30.805 -17.624 1.00 0.00 O ATOM 826 CB ALA A 58 -12.901 28.394 -17.632 1.00 0.00 C ATOM 0 H ALA A 58 -12.425 29.243 -15.224 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.965 27.602 -17.187 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.778 28.312 -18.712 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.415 27.509 -17.257 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -13.491 29.281 -17.401 1.00 0.00 H new ATOM 832 N PHE A 59 -9.519 29.457 -17.927 1.00 0.00 N ATOM 833 CA PHE A 59 -8.677 30.509 -18.486 1.00 0.00 C ATOM 834 C PHE A 59 -7.878 29.991 -19.678 1.00 0.00 C ATOM 835 O PHE A 59 -8.032 28.841 -20.091 1.00 0.00 O ATOM 836 CB PHE A 59 -7.727 31.052 -17.417 1.00 0.00 C ATOM 837 CG PHE A 59 -6.585 30.128 -17.105 1.00 0.00 C ATOM 838 CD1 PHE A 59 -6.800 28.953 -16.404 1.00 0.00 C ATOM 839 CD2 PHE A 59 -5.296 30.435 -17.512 1.00 0.00 C ATOM 840 CE1 PHE A 59 -5.751 28.099 -16.114 1.00 0.00 C ATOM 841 CE2 PHE A 59 -4.244 29.586 -17.226 1.00 0.00 C ATOM 842 CZ PHE A 59 -4.472 28.417 -16.525 1.00 0.00 C ATOM 0 H PHE A 59 -9.067 28.545 -17.864 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.325 31.315 -18.829 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.328 32.010 -17.750 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -8.291 31.241 -16.504 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.799 28.700 -16.080 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.112 31.348 -18.059 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.932 27.185 -15.567 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.244 29.836 -17.550 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.651 27.753 -16.299 1.00 0.00 H new ATOM 852 N VAL A 60 -7.023 30.848 -20.228 1.00 0.00 N ATOM 853 CA VAL A 60 -6.199 30.478 -21.372 1.00 0.00 C ATOM 854 C VAL A 60 -4.715 30.598 -21.042 1.00 0.00 C ATOM 855 O VAL A 60 -4.291 31.544 -20.376 1.00 0.00 O ATOM 856 CB VAL A 60 -6.514 31.355 -22.598 1.00 0.00 C ATOM 857 CG1 VAL A 60 -6.752 32.797 -22.176 1.00 0.00 C ATOM 858 CG2 VAL A 60 -5.388 31.269 -23.617 1.00 0.00 C ATOM 0 H VAL A 60 -6.883 31.803 -19.899 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.433 29.440 -21.608 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.426 30.983 -23.065 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.973 33.402 -23.056 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.594 32.840 -21.485 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.860 33.184 -21.684 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.627 31.895 -24.477 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.459 31.615 -23.163 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.270 30.235 -23.942 1.00 0.00 H new ATOM 868 N LEU A 61 -3.930 29.635 -21.511 1.00 0.00 N ATOM 869 CA LEU A 61 -2.492 29.633 -21.267 1.00 0.00 C ATOM 870 C LEU A 61 -1.869 30.964 -21.675 1.00 0.00 C ATOM 871 O LEU A 61 -2.061 31.434 -22.795 1.00 0.00 O ATOM 872 CB LEU A 61 -1.827 28.489 -22.034 1.00 0.00 C ATOM 873 CG LEU A 61 -0.797 27.669 -21.256 1.00 0.00 C ATOM 874 CD1 LEU A 61 0.123 28.583 -20.461 1.00 0.00 C ATOM 875 CD2 LEU A 61 -1.491 26.676 -20.335 1.00 0.00 C ATOM 0 H LEU A 61 -4.265 28.845 -22.063 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.329 29.489 -20.199 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.606 27.814 -22.388 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.340 28.904 -22.916 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.192 27.110 -21.970 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.849 27.982 -19.914 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.647 29.254 -21.142 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.467 29.169 -19.757 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.743 26.101 -19.789 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.121 27.215 -19.628 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.107 25.999 -20.927 1.00 0.00 H new ATOM 925 N VAL A 66 -3.127 35.560 -14.614 1.00 0.00 N ATOM 926 CA VAL A 66 -2.412 34.513 -13.895 1.00 0.00 C ATOM 927 C VAL A 66 -1.036 34.995 -13.449 1.00 0.00 C ATOM 928 O VAL A 66 -0.583 36.068 -13.848 1.00 0.00 O ATOM 929 CB VAL A 66 -2.245 33.250 -14.761 1.00 0.00 C ATOM 930 CG1 VAL A 66 -3.588 32.808 -15.324 1.00 0.00 C ATOM 931 CG2 VAL A 66 -1.245 33.500 -15.880 1.00 0.00 C ATOM 0 HA VAL A 66 -3.010 34.266 -13.018 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.859 32.447 -14.133 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.451 31.915 -15.933 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.271 32.587 -14.504 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.005 33.606 -15.939 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.139 32.597 -16.482 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.600 34.316 -16.509 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.279 33.766 -15.452 1.00 0.00 H new ATOM 941 N ILE A 67 -0.375 34.194 -12.619 1.00 0.00 N ATOM 942 CA ILE A 67 0.950 34.538 -12.120 1.00 0.00 C ATOM 943 C ILE A 67 2.028 33.696 -12.795 1.00 0.00 C ATOM 944 O ILE A 67 1.731 32.698 -13.451 1.00 0.00 O ATOM 945 CB ILE A 67 1.045 34.346 -10.594 1.00 0.00 C ATOM 946 CG1 ILE A 67 1.109 32.856 -10.250 1.00 0.00 C ATOM 947 CG2 ILE A 67 -0.139 35.004 -9.903 1.00 0.00 C ATOM 948 CD1 ILE A 67 1.100 32.579 -8.763 1.00 0.00 C ATOM 0 H ILE A 67 -0.736 33.303 -12.278 1.00 0.00 H new ATOM 0 HA ILE A 67 1.112 35.590 -12.357 1.00 0.00 H new ATOM 0 HB ILE A 67 1.959 34.822 -10.238 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.262 32.348 -10.711 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.012 32.429 -10.686 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -0.058 34.860 -8.826 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.144 36.071 -10.127 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.065 34.554 -10.260 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.147 31.503 -8.593 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.962 33.058 -8.298 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.184 32.976 -8.325 1.00 0.00 H new ATOM 960 N LYS A 68 3.281 34.105 -12.628 1.00 0.00 N ATOM 961 CA LYS A 68 4.405 33.388 -13.218 1.00 0.00 C ATOM 962 C LYS A 68 4.301 31.891 -12.943 1.00 0.00 C ATOM 963 O LYS A 68 4.311 31.078 -13.865 1.00 0.00 O ATOM 964 CB LYS A 68 5.727 33.928 -12.668 1.00 0.00 C ATOM 965 CG LYS A 68 6.096 35.298 -13.208 1.00 0.00 C ATOM 966 CD LYS A 68 7.547 35.641 -12.914 1.00 0.00 C ATOM 967 CE LYS A 68 8.469 35.165 -14.026 1.00 0.00 C ATOM 968 NZ LYS A 68 8.392 36.044 -15.225 1.00 0.00 N ATOM 0 H LYS A 68 3.544 34.930 -12.089 1.00 0.00 H new ATOM 0 HA LYS A 68 4.377 33.544 -14.296 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.664 33.980 -11.581 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.525 33.225 -12.908 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.926 35.324 -14.284 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.446 36.052 -12.765 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.649 36.719 -12.792 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.846 35.183 -11.971 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.495 35.139 -13.660 1.00 0.00 H new ATOM 0 HE3 LYS A 68 8.204 34.145 -14.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 9.129 35.769 -15.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.457 35.945 -15.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.536 37.034 -14.940 1.00 0.00 H new ATOM 982 N GLY A 69 4.199 31.535 -11.665 1.00 0.00 N ATOM 983 CA GLY A 69 4.093 30.137 -11.292 1.00 0.00 C ATOM 984 C GLY A 69 2.944 29.436 -11.989 1.00 0.00 C ATOM 985 O GLY A 69 2.997 28.229 -12.225 1.00 0.00 O ATOM 0 H GLY A 69 4.188 32.190 -10.883 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.026 29.628 -11.534 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.960 30.061 -10.213 1.00 0.00 H new ATOM 989 N TRP A 70 1.904 30.193 -12.317 1.00 0.00 N ATOM 990 CA TRP A 70 0.736 29.636 -12.990 1.00 0.00 C ATOM 991 C TRP A 70 1.078 29.215 -14.415 1.00 0.00 C ATOM 992 O TRP A 70 0.938 28.047 -14.778 1.00 0.00 O ATOM 993 CB TRP A 70 -0.404 30.656 -13.006 1.00 0.00 C ATOM 994 CG TRP A 70 -1.633 30.184 -12.290 1.00 0.00 C ATOM 995 CD1 TRP A 70 -2.833 29.854 -12.852 1.00 0.00 C ATOM 996 CD2 TRP A 70 -1.782 29.992 -10.879 1.00 0.00 C ATOM 997 NE1 TRP A 70 -3.719 29.468 -11.875 1.00 0.00 N ATOM 998 CE2 TRP A 70 -3.099 29.543 -10.657 1.00 0.00 C ATOM 999 CE3 TRP A 70 -0.931 30.153 -9.782 1.00 0.00 C ATOM 1000 CZ2 TRP A 70 -3.582 29.256 -9.383 1.00 0.00 C ATOM 1001 CZ3 TRP A 70 -1.412 29.868 -8.519 1.00 0.00 C ATOM 1002 CH2 TRP A 70 -2.727 29.423 -8.327 1.00 0.00 C ATOM 0 H TRP A 70 1.845 31.194 -12.128 1.00 0.00 H new ATOM 0 HA TRP A 70 0.416 28.753 -12.437 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.059 31.583 -12.548 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -0.661 30.887 -14.040 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.053 29.891 -13.909 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.683 29.173 -12.032 1.00 0.00 H new ATOM 0 HE3 TRP A 70 0.084 30.494 -9.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -4.595 28.914 -9.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.763 29.990 -7.664 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -3.072 29.208 -7.327 1.00 0.00 H new ATOM 1013 N ASP A 71 1.526 30.173 -15.219 1.00 0.00 N ATOM 1014 CA ASP A 71 1.889 29.901 -16.605 1.00 0.00 C ATOM 1015 C ASP A 71 2.906 28.767 -16.687 1.00 0.00 C ATOM 1016 O ASP A 71 2.759 27.846 -17.491 1.00 0.00 O ATOM 1017 CB ASP A 71 2.457 31.160 -17.263 1.00 0.00 C ATOM 1018 CG ASP A 71 3.074 30.877 -18.618 1.00 0.00 C ATOM 1019 OD1 ASP A 71 2.403 30.236 -19.454 1.00 0.00 O ATOM 1020 OD2 ASP A 71 4.229 31.296 -18.842 1.00 0.00 O ATOM 0 H ASP A 71 1.647 31.145 -14.935 1.00 0.00 H new ATOM 0 HA ASP A 71 0.988 29.597 -17.138 1.00 0.00 H new ATOM 0 HB2 ASP A 71 1.662 31.897 -17.376 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.210 31.600 -16.609 1.00 0.00 H new ATOM 1025 N GLU A 72 3.937 28.841 -15.851 1.00 0.00 N ATOM 1026 CA GLU A 72 4.979 27.821 -15.832 1.00 0.00 C ATOM 1027 C GLU A 72 4.398 26.457 -15.472 1.00 0.00 C ATOM 1028 O GLU A 72 4.756 25.441 -16.067 1.00 0.00 O ATOM 1029 CB GLU A 72 6.076 28.200 -14.834 1.00 0.00 C ATOM 1030 CG GLU A 72 7.469 28.224 -15.441 1.00 0.00 C ATOM 1031 CD GLU A 72 8.536 27.752 -14.472 1.00 0.00 C ATOM 1032 OE1 GLU A 72 8.846 28.499 -13.521 1.00 0.00 O ATOM 1033 OE2 GLU A 72 9.060 26.635 -14.666 1.00 0.00 O ATOM 0 H GLU A 72 4.073 29.596 -15.179 1.00 0.00 H new ATOM 0 HA GLU A 72 5.411 27.760 -16.831 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.853 29.182 -14.418 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.062 27.492 -14.005 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.485 27.592 -16.329 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.702 29.238 -15.767 1.00 0.00 H new ATOM 1040 N GLY A 73 3.499 26.442 -14.492 1.00 0.00 N ATOM 1041 CA GLY A 73 2.883 25.198 -14.069 1.00 0.00 C ATOM 1042 C GLY A 73 2.070 24.549 -15.171 1.00 0.00 C ATOM 1043 O GLY A 73 2.396 23.455 -15.631 1.00 0.00 O ATOM 0 H GLY A 73 3.187 27.269 -13.984 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.658 24.507 -13.738 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.239 25.389 -13.211 1.00 0.00 H new ATOM 1047 N VAL A 74 1.006 25.224 -15.596 1.00 0.00 N ATOM 1048 CA VAL A 74 0.143 24.706 -16.650 1.00 0.00 C ATOM 1049 C VAL A 74 0.935 24.434 -17.924 1.00 0.00 C ATOM 1050 O VAL A 74 0.564 23.577 -18.726 1.00 0.00 O ATOM 1051 CB VAL A 74 -1.001 25.686 -16.971 1.00 0.00 C ATOM 1052 CG1 VAL A 74 -2.077 25.620 -15.896 1.00 0.00 C ATOM 1053 CG2 VAL A 74 -0.465 27.102 -17.114 1.00 0.00 C ATOM 0 H VAL A 74 0.722 26.131 -15.226 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.281 23.772 -16.281 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.450 25.395 -17.920 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.877 26.319 -16.139 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.481 24.609 -15.847 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.644 25.885 -14.931 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.287 27.781 -17.341 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.011 27.407 -16.182 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.266 27.135 -17.922 1.00 0.00 H new ATOM 1063 N GLN A 75 2.028 25.169 -18.103 1.00 0.00 N ATOM 1064 CA GLN A 75 2.873 25.006 -19.281 1.00 0.00 C ATOM 1065 C GLN A 75 3.325 23.557 -19.430 1.00 0.00 C ATOM 1066 O GLN A 75 3.680 23.116 -20.523 1.00 0.00 O ATOM 1067 CB GLN A 75 4.092 25.926 -19.191 1.00 0.00 C ATOM 1068 CG GLN A 75 3.968 27.183 -20.036 1.00 0.00 C ATOM 1069 CD GLN A 75 5.135 28.133 -19.843 1.00 0.00 C ATOM 1070 OE1 GLN A 75 6.035 27.874 -19.044 1.00 0.00 O ATOM 1071 NE2 GLN A 75 5.125 29.239 -20.577 1.00 0.00 N ATOM 0 H GLN A 75 2.349 25.882 -17.448 1.00 0.00 H new ATOM 0 HA GLN A 75 2.286 25.277 -20.159 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.246 26.211 -18.150 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.978 25.373 -19.504 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.901 26.904 -21.088 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.040 27.697 -19.783 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.358 29.413 -21.227 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.884 29.915 -20.491 1.00 0.00 H new ATOM 1080 N GLY A 76 3.309 22.819 -18.324 1.00 0.00 N ATOM 1081 CA GLY A 76 3.720 21.428 -18.354 1.00 0.00 C ATOM 1082 C GLY A 76 2.617 20.488 -17.909 1.00 0.00 C ATOM 1083 O GLY A 76 2.559 19.338 -18.343 1.00 0.00 O ATOM 0 H GLY A 76 3.019 23.160 -17.408 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.031 21.166 -19.365 1.00 0.00 H new ATOM 0 HA3 GLY A 76 4.589 21.295 -17.709 1.00 0.00 H new ATOM 1087 N MET A 77 1.739 20.978 -17.039 1.00 0.00 N ATOM 1088 CA MET A 77 0.633 20.173 -16.535 1.00 0.00 C ATOM 1089 C MET A 77 -0.186 19.593 -17.684 1.00 0.00 C ATOM 1090 O MET A 77 -0.270 20.184 -18.760 1.00 0.00 O ATOM 1091 CB MET A 77 -0.266 21.015 -15.627 1.00 0.00 C ATOM 1092 CG MET A 77 0.448 21.559 -14.401 1.00 0.00 C ATOM 1093 SD MET A 77 0.191 20.538 -12.937 1.00 0.00 S ATOM 1094 CE MET A 77 -1.464 21.035 -12.464 1.00 0.00 C ATOM 0 H MET A 77 1.772 21.928 -16.669 1.00 0.00 H new ATOM 0 HA MET A 77 1.051 19.348 -15.958 1.00 0.00 H new ATOM 0 HB2 MET A 77 -0.670 21.848 -16.202 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.113 20.409 -15.305 1.00 0.00 H new ATOM 0 HG2 MET A 77 1.516 21.628 -14.608 1.00 0.00 H new ATOM 0 HG3 MET A 77 0.096 22.571 -14.200 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.527 21.102 -11.378 1.00 0.00 H new ATOM 0 HE2 MET A 77 -1.691 22.007 -12.901 1.00 0.00 H new ATOM 0 HE3 MET A 77 -2.182 20.298 -12.824 1.00 0.00 H new ATOM 1104 N LYS A 78 -0.787 18.432 -17.449 1.00 0.00 N ATOM 1105 CA LYS A 78 -1.600 17.771 -18.464 1.00 0.00 C ATOM 1106 C LYS A 78 -3.032 17.580 -17.974 1.00 0.00 C ATOM 1107 O LYS A 78 -3.300 17.632 -16.774 1.00 0.00 O ATOM 1108 CB LYS A 78 -0.990 16.417 -18.832 1.00 0.00 C ATOM 1109 CG LYS A 78 0.349 16.525 -19.541 1.00 0.00 C ATOM 1110 CD LYS A 78 1.268 15.372 -19.175 1.00 0.00 C ATOM 1111 CE LYS A 78 2.126 15.706 -17.964 1.00 0.00 C ATOM 1112 NZ LYS A 78 1.448 15.346 -16.688 1.00 0.00 N ATOM 0 H LYS A 78 -0.727 17.929 -16.564 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.620 18.406 -19.349 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.864 15.826 -17.925 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.687 15.876 -19.471 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.191 16.537 -20.619 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.826 17.469 -19.278 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.673 14.483 -18.967 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.910 15.134 -20.023 1.00 0.00 H new ATOM 0 HE2 LYS A 78 3.075 15.174 -18.034 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.357 16.771 -17.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.127 14.877 -16.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.087 16.208 -16.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.656 14.702 -16.886 1.00 0.00 H new ATOM 1126 N VAL A 79 -3.948 17.357 -18.911 1.00 0.00 N ATOM 1127 CA VAL A 79 -5.352 17.155 -18.574 1.00 0.00 C ATOM 1128 C VAL A 79 -5.515 16.046 -17.540 1.00 0.00 C ATOM 1129 O VAL A 79 -5.067 14.919 -17.747 1.00 0.00 O ATOM 1130 CB VAL A 79 -6.183 16.804 -19.823 1.00 0.00 C ATOM 1131 CG1 VAL A 79 -7.663 16.736 -19.477 1.00 0.00 C ATOM 1132 CG2 VAL A 79 -5.932 17.814 -20.931 1.00 0.00 C ATOM 0 H VAL A 79 -3.743 17.312 -19.909 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.716 18.093 -18.156 1.00 0.00 H new ATOM 0 HB VAL A 79 -5.872 15.822 -20.181 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.235 16.487 -20.371 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.824 15.970 -18.718 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.992 17.702 -19.094 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.527 17.550 -21.805 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.214 18.809 -20.587 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.875 17.808 -21.196 1.00 0.00 H new ATOM 1142 N GLY A 80 -6.161 16.375 -16.426 1.00 0.00 N ATOM 1143 CA GLY A 80 -6.373 15.396 -15.375 1.00 0.00 C ATOM 1144 C GLY A 80 -5.186 15.284 -14.439 1.00 0.00 C ATOM 1145 O GLY A 80 -5.201 14.492 -13.499 1.00 0.00 O ATOM 0 H GLY A 80 -6.541 17.301 -16.232 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.259 15.669 -14.802 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.571 14.423 -15.824 1.00 0.00 H new ATOM 1149 N GLY A 81 -4.152 16.079 -14.699 1.00 0.00 N ATOM 1150 CA GLY A 81 -2.965 16.048 -13.865 1.00 0.00 C ATOM 1151 C GLY A 81 -3.076 16.966 -12.664 1.00 0.00 C ATOM 1152 O GLY A 81 -3.456 18.130 -12.796 1.00 0.00 O ATOM 0 H GLY A 81 -4.116 16.743 -15.472 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.791 15.028 -13.524 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.099 16.337 -14.460 1.00 0.00 H new ATOM 1156 N VAL A 82 -2.746 16.442 -11.488 1.00 0.00 N ATOM 1157 CA VAL A 82 -2.811 17.222 -10.258 1.00 0.00 C ATOM 1158 C VAL A 82 -1.431 17.369 -9.626 1.00 0.00 C ATOM 1159 O VAL A 82 -0.745 16.378 -9.374 1.00 0.00 O ATOM 1160 CB VAL A 82 -3.766 16.579 -9.235 1.00 0.00 C ATOM 1161 CG1 VAL A 82 -3.970 17.500 -8.042 1.00 0.00 C ATOM 1162 CG2 VAL A 82 -5.097 16.239 -9.890 1.00 0.00 C ATOM 0 H VAL A 82 -2.431 15.480 -11.361 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.190 18.207 -10.529 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.316 15.653 -8.876 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.648 17.029 -7.330 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.011 17.689 -7.560 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.398 18.444 -8.380 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.760 15.785 -9.153 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.554 17.149 -10.278 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.931 15.539 -10.709 1.00 0.00 H new ATOM 1172 N ARG A 83 -1.031 18.610 -9.373 1.00 0.00 N ATOM 1173 CA ARG A 83 0.267 18.887 -8.771 1.00 0.00 C ATOM 1174 C ARG A 83 0.199 20.116 -7.870 1.00 0.00 C ATOM 1175 O ARG A 83 -0.474 21.096 -8.191 1.00 0.00 O ATOM 1176 CB ARG A 83 1.323 19.096 -9.858 1.00 0.00 C ATOM 1177 CG ARG A 83 1.338 18.000 -10.911 1.00 0.00 C ATOM 1178 CD ARG A 83 2.596 18.064 -11.763 1.00 0.00 C ATOM 1179 NE ARG A 83 2.692 16.933 -12.682 1.00 0.00 N ATOM 1180 CZ ARG A 83 3.760 16.683 -13.431 1.00 0.00 C ATOM 1181 NH1 ARG A 83 4.818 17.481 -13.370 1.00 0.00 N ATOM 1182 NH2 ARG A 83 3.772 15.634 -14.244 1.00 0.00 N ATOM 0 H ARG A 83 -1.588 19.440 -9.576 1.00 0.00 H new ATOM 0 HA ARG A 83 0.547 18.027 -8.162 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.145 20.054 -10.346 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.306 19.153 -9.391 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.275 17.026 -10.425 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.460 18.095 -11.549 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.602 18.994 -12.331 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.472 18.080 -11.115 1.00 0.00 H new ATOM 0 HE ARG A 83 1.895 16.300 -12.753 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.812 18.289 -12.747 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.637 17.287 -13.946 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.960 15.018 -14.294 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.593 15.443 -14.819 1.00 0.00 H new ATOM 1196 N ARG A 84 0.898 20.057 -6.742 1.00 0.00 N ATOM 1197 CA ARG A 84 0.915 21.165 -5.794 1.00 0.00 C ATOM 1198 C ARG A 84 1.999 22.175 -6.158 1.00 0.00 C ATOM 1199 O ARG A 84 3.185 21.942 -5.921 1.00 0.00 O ATOM 1200 CB ARG A 84 1.144 20.645 -4.373 1.00 0.00 C ATOM 1201 CG ARG A 84 0.249 21.300 -3.334 1.00 0.00 C ATOM 1202 CD ARG A 84 0.703 20.970 -1.921 1.00 0.00 C ATOM 1203 NE ARG A 84 -0.386 21.089 -0.954 1.00 0.00 N ATOM 1204 CZ ARG A 84 -0.336 20.586 0.274 1.00 0.00 C ATOM 1205 NH1 ARG A 84 0.744 19.935 0.684 1.00 0.00 N ATOM 1206 NH2 ARG A 84 -1.367 20.735 1.096 1.00 0.00 N ATOM 0 H ARG A 84 1.460 19.254 -6.462 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.053 21.664 -5.839 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.976 19.568 -4.358 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.186 20.809 -4.098 1.00 0.00 H new ATOM 0 HG2 ARG A 84 0.255 22.381 -3.476 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.779 20.966 -3.475 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.101 19.956 -1.896 1.00 0.00 H new ATOM 0 HD3 ARG A 84 1.516 21.638 -1.636 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.231 21.585 -1.238 1.00 0.00 H new ATOM 0 HH11 ARG A 84 1.539 19.820 0.056 1.00 0.00 H new ATOM 0 HH12 ARG A 84 0.780 19.550 1.628 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -2.199 21.236 0.785 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.327 20.348 2.039 1.00 0.00 H new ATOM 1220 N LEU A 85 1.585 23.297 -6.736 1.00 0.00 N ATOM 1221 CA LEU A 85 2.520 24.344 -7.133 1.00 0.00 C ATOM 1222 C LEU A 85 2.795 25.298 -5.975 1.00 0.00 C ATOM 1223 O LEU A 85 1.879 25.926 -5.443 1.00 0.00 O ATOM 1224 CB LEU A 85 1.967 25.121 -8.329 1.00 0.00 C ATOM 1225 CG LEU A 85 2.897 26.176 -8.932 1.00 0.00 C ATOM 1226 CD1 LEU A 85 3.592 25.630 -10.169 1.00 0.00 C ATOM 1227 CD2 LEU A 85 2.121 27.441 -9.268 1.00 0.00 C ATOM 0 H LEU A 85 0.608 23.505 -6.940 1.00 0.00 H new ATOM 0 HA LEU A 85 3.459 23.869 -7.418 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.704 24.408 -9.110 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.044 25.612 -8.022 1.00 0.00 H new ATOM 0 HG LEU A 85 3.659 26.426 -8.194 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.249 26.394 -10.584 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.180 24.753 -9.899 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.845 25.351 -10.912 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.798 28.180 -9.696 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.338 27.207 -9.989 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.671 27.843 -8.361 1.00 0.00 H new ATOM 1239 N THR A 86 4.063 25.403 -5.590 1.00 0.00 N ATOM 1240 CA THR A 86 4.459 26.280 -4.496 1.00 0.00 C ATOM 1241 C THR A 86 5.076 27.571 -5.022 1.00 0.00 C ATOM 1242 O THR A 86 6.103 27.547 -5.700 1.00 0.00 O ATOM 1243 CB THR A 86 5.466 25.589 -3.557 1.00 0.00 C ATOM 1244 OG1 THR A 86 5.536 24.191 -3.859 1.00 0.00 O ATOM 1245 CG2 THR A 86 5.067 25.779 -2.101 1.00 0.00 C ATOM 0 H THR A 86 4.833 24.891 -6.020 1.00 0.00 H new ATOM 0 HA THR A 86 3.554 26.514 -3.936 1.00 0.00 H new ATOM 0 HB THR A 86 6.445 26.044 -3.711 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.179 23.759 -3.259 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.793 25.282 -1.457 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.042 26.843 -1.866 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.080 25.348 -1.935 1.00 0.00 H new ATOM 1253 N ILE A 87 4.443 28.696 -4.705 1.00 0.00 N ATOM 1254 CA ILE A 87 4.932 29.997 -5.145 1.00 0.00 C ATOM 1255 C ILE A 87 5.419 30.829 -3.964 1.00 0.00 C ATOM 1256 O ILE A 87 4.739 30.968 -2.947 1.00 0.00 O ATOM 1257 CB ILE A 87 3.842 30.782 -5.898 1.00 0.00 C ATOM 1258 CG1 ILE A 87 3.133 29.875 -6.905 1.00 0.00 C ATOM 1259 CG2 ILE A 87 4.448 31.989 -6.599 1.00 0.00 C ATOM 1260 CD1 ILE A 87 1.921 29.172 -6.335 1.00 0.00 C ATOM 0 H ILE A 87 3.591 28.733 -4.145 1.00 0.00 H new ATOM 0 HA ILE A 87 5.766 29.809 -5.822 1.00 0.00 H new ATOM 0 HB ILE A 87 3.106 31.137 -5.176 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.827 30.470 -7.765 1.00 0.00 H new ATOM 0 HG13 ILE A 87 3.839 29.128 -7.269 1.00 0.00 H new ATOM 0 HG21 ILE A 87 3.665 32.534 -7.127 1.00 0.00 H new ATOM 0 HG22 ILE A 87 4.911 32.644 -5.861 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.202 31.655 -7.312 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.468 28.546 -7.104 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.224 28.550 -5.493 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.196 29.913 -5.997 1.00 0.00 H new ATOM 1272 N PRO A 88 6.626 31.399 -4.099 1.00 0.00 N ATOM 1273 CA PRO A 88 7.231 32.230 -3.054 1.00 0.00 C ATOM 1274 C PRO A 88 6.511 33.564 -2.885 1.00 0.00 C ATOM 1275 O PRO A 88 5.650 33.938 -3.682 1.00 0.00 O ATOM 1276 CB PRO A 88 8.658 32.454 -3.560 1.00 0.00 C ATOM 1277 CG PRO A 88 8.564 32.304 -5.039 1.00 0.00 C ATOM 1278 CD PRO A 88 7.492 31.277 -5.284 1.00 0.00 C ATOM 0 HA PRO A 88 7.181 31.753 -2.075 1.00 0.00 H new ATOM 0 HB2 PRO A 88 9.025 33.443 -3.285 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.348 31.727 -3.132 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.311 33.253 -5.512 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.516 31.982 -5.460 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.944 31.479 -6.205 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.909 30.274 -5.375 1.00 0.00 H new ATOM 1286 N PRO A 89 6.870 34.301 -1.823 1.00 0.00 N ATOM 1287 CA PRO A 89 6.270 35.605 -1.526 1.00 0.00 C ATOM 1288 C PRO A 89 6.683 36.675 -2.531 1.00 0.00 C ATOM 1289 O PRO A 89 6.191 37.802 -2.487 1.00 0.00 O ATOM 1290 CB PRO A 89 6.818 35.938 -0.136 1.00 0.00 C ATOM 1291 CG PRO A 89 8.096 35.179 -0.040 1.00 0.00 C ATOM 1292 CD PRO A 89 7.889 33.917 -0.832 1.00 0.00 C ATOM 0 HA PRO A 89 5.182 35.574 -1.575 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.984 37.009 -0.022 1.00 0.00 H new ATOM 0 HB3 PRO A 89 6.120 35.639 0.646 1.00 0.00 H new ATOM 0 HG2 PRO A 89 8.926 35.760 -0.442 1.00 0.00 H new ATOM 0 HG3 PRO A 89 8.338 34.953 0.998 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.811 33.587 -1.311 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.547 33.097 -0.200 1.00 0.00 H new ATOM 1300 N GLN A 90 7.587 36.314 -3.435 1.00 0.00 N ATOM 1301 CA GLN A 90 8.065 37.245 -4.451 1.00 0.00 C ATOM 1302 C GLN A 90 7.307 37.057 -5.761 1.00 0.00 C ATOM 1303 O GLN A 90 6.963 38.028 -6.436 1.00 0.00 O ATOM 1304 CB GLN A 90 9.565 37.053 -4.684 1.00 0.00 C ATOM 1305 CG GLN A 90 9.975 35.598 -4.839 1.00 0.00 C ATOM 1306 CD GLN A 90 11.397 35.443 -5.342 1.00 0.00 C ATOM 1307 OE1 GLN A 90 12.237 34.828 -4.684 1.00 0.00 O ATOM 1308 NE2 GLN A 90 11.674 36.001 -6.515 1.00 0.00 N ATOM 0 H GLN A 90 8.003 35.384 -3.485 1.00 0.00 H new ATOM 0 HA GLN A 90 7.887 38.259 -4.091 1.00 0.00 H new ATOM 0 HB2 GLN A 90 9.858 37.602 -5.579 1.00 0.00 H new ATOM 0 HB3 GLN A 90 10.113 37.489 -3.849 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.876 35.092 -3.878 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.293 35.104 -5.531 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.947 36.501 -7.026 1.00 0.00 H new ATOM 0 HE22 GLN A 90 12.614 35.929 -6.905 1.00 0.00 H new ATOM 1317 N LEU A 91 7.050 35.803 -6.115 1.00 0.00 N ATOM 1318 CA LEU A 91 6.332 35.487 -7.346 1.00 0.00 C ATOM 1319 C LEU A 91 4.836 35.353 -7.084 1.00 0.00 C ATOM 1320 O LEU A 91 4.112 34.734 -7.862 1.00 0.00 O ATOM 1321 CB LEU A 91 6.872 34.192 -7.956 1.00 0.00 C ATOM 1322 CG LEU A 91 8.387 34.125 -8.156 1.00 0.00 C ATOM 1323 CD1 LEU A 91 8.769 32.865 -8.917 1.00 0.00 C ATOM 1324 CD2 LEU A 91 8.884 35.364 -8.886 1.00 0.00 C ATOM 0 H LEU A 91 7.328 34.988 -5.568 1.00 0.00 H new ATOM 0 HA LEU A 91 6.487 36.305 -8.049 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.573 33.361 -7.318 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.391 34.041 -8.922 1.00 0.00 H new ATOM 0 HG LEU A 91 8.863 34.091 -7.176 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.850 32.834 -9.050 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.447 31.989 -8.354 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.283 32.868 -9.893 1.00 0.00 H new ATOM 0 HD21 LEU A 91 9.964 35.299 -9.019 1.00 0.00 H new ATOM 0 HD22 LEU A 91 8.401 35.430 -9.861 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.643 36.252 -8.301 1.00 0.00 H new ATOM 1336 N GLY A 92 4.377 35.942 -5.983 1.00 0.00 N ATOM 1337 CA GLY A 92 2.969 35.879 -5.640 1.00 0.00 C ATOM 1338 C GLY A 92 2.346 37.253 -5.494 1.00 0.00 C ATOM 1339 O GLY A 92 2.125 37.951 -6.484 1.00 0.00 O ATOM 0 H GLY A 92 4.956 36.461 -5.323 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.435 35.321 -6.410 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.850 35.328 -4.707 1.00 0.00 H new ATOM 1513 N ALA A 106 6.699 34.923 3.067 1.00 0.00 N ATOM 1514 CA ALA A 106 6.041 33.654 3.352 1.00 0.00 C ATOM 1515 C ALA A 106 5.806 32.858 2.073 1.00 0.00 C ATOM 1516 O ALA A 106 5.557 33.429 1.011 1.00 0.00 O ATOM 1517 CB ALA A 106 4.725 33.893 4.078 1.00 0.00 C ATOM 0 HA ALA A 106 6.697 33.069 3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 106 4.244 32.937 4.284 1.00 0.00 H new ATOM 0 HB2 ALA A 106 4.916 34.413 5.017 1.00 0.00 H new ATOM 0 HB3 ALA A 106 4.070 34.501 3.454 1.00 0.00 H new ATOM 1523 N THR A 107 5.886 31.536 2.181 1.00 0.00 N ATOM 1524 CA THR A 107 5.683 30.661 1.033 1.00 0.00 C ATOM 1525 C THR A 107 4.214 30.284 0.882 1.00 0.00 C ATOM 1526 O THR A 107 3.596 29.769 1.815 1.00 0.00 O ATOM 1527 CB THR A 107 6.523 29.375 1.152 1.00 0.00 C ATOM 1528 OG1 THR A 107 7.916 29.702 1.196 1.00 0.00 O ATOM 1529 CG2 THR A 107 6.252 28.443 -0.020 1.00 0.00 C ATOM 0 H THR A 107 6.090 31.047 3.053 1.00 0.00 H new ATOM 0 HA THR A 107 6.005 31.216 0.151 1.00 0.00 H new ATOM 0 HB THR A 107 6.241 28.866 2.074 1.00 0.00 H new ATOM 0 HG1 THR A 107 8.443 28.879 1.273 1.00 0.00 H new ATOM 0 HG21 THR A 107 6.856 27.542 0.085 1.00 0.00 H new ATOM 0 HG22 THR A 107 5.196 28.173 -0.034 1.00 0.00 H new ATOM 0 HG23 THR A 107 6.510 28.946 -0.952 1.00 0.00 H new ATOM 1537 N LEU A 108 3.660 30.541 -0.298 1.00 0.00 N ATOM 1538 CA LEU A 108 2.262 30.227 -0.571 1.00 0.00 C ATOM 1539 C LEU A 108 2.136 28.890 -1.293 1.00 0.00 C ATOM 1540 O LEU A 108 2.788 28.657 -2.311 1.00 0.00 O ATOM 1541 CB LEU A 108 1.626 31.335 -1.412 1.00 0.00 C ATOM 1542 CG LEU A 108 1.775 32.758 -0.872 1.00 0.00 C ATOM 1543 CD1 LEU A 108 3.063 33.389 -1.379 1.00 0.00 C ATOM 1544 CD2 LEU A 108 0.574 33.606 -1.262 1.00 0.00 C ATOM 0 H LEU A 108 4.157 30.966 -1.081 1.00 0.00 H new ATOM 0 HA LEU A 108 1.738 30.155 0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.060 31.300 -2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.563 31.118 -1.519 1.00 0.00 H new ATOM 0 HG LEU A 108 1.822 32.710 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 108 3.152 34.401 -0.985 1.00 0.00 H new ATOM 0 HD12 LEU A 108 3.914 32.794 -1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 108 3.047 33.424 -2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 108 0.698 34.615 -0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 108 0.495 33.647 -2.348 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -0.333 33.165 -0.849 1.00 0.00 H new ATOM 1556 N VAL A 109 1.290 28.013 -0.760 1.00 0.00 N ATOM 1557 CA VAL A 109 1.075 26.700 -1.355 1.00 0.00 C ATOM 1558 C VAL A 109 -0.229 26.661 -2.144 1.00 0.00 C ATOM 1559 O VAL A 109 -1.316 26.742 -1.571 1.00 0.00 O ATOM 1560 CB VAL A 109 1.046 25.595 -0.281 1.00 0.00 C ATOM 1561 CG1 VAL A 109 0.770 24.241 -0.916 1.00 0.00 C ATOM 1562 CG2 VAL A 109 2.354 25.573 0.495 1.00 0.00 C ATOM 0 H VAL A 109 0.743 28.189 0.083 1.00 0.00 H new ATOM 0 HA VAL A 109 1.911 26.518 -2.031 1.00 0.00 H new ATOM 0 HB VAL A 109 0.239 25.812 0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.753 23.473 -0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.195 24.267 -1.423 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.553 24.011 -1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.316 24.787 1.249 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.180 25.380 -0.190 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.504 26.536 0.982 1.00 0.00 H new ATOM 1572 N PHE A 110 -0.113 26.535 -3.461 1.00 0.00 N ATOM 1573 CA PHE A 110 -1.283 26.486 -4.330 1.00 0.00 C ATOM 1574 C PHE A 110 -1.367 25.145 -5.055 1.00 0.00 C ATOM 1575 O PHE A 110 -0.377 24.663 -5.603 1.00 0.00 O ATOM 1576 CB PHE A 110 -1.237 27.627 -5.349 1.00 0.00 C ATOM 1577 CG PHE A 110 -1.590 28.965 -4.767 1.00 0.00 C ATOM 1578 CD1 PHE A 110 -2.903 29.406 -4.755 1.00 0.00 C ATOM 1579 CD2 PHE A 110 -0.607 29.783 -4.231 1.00 0.00 C ATOM 1580 CE1 PHE A 110 -3.231 30.637 -4.219 1.00 0.00 C ATOM 1581 CE2 PHE A 110 -0.930 31.015 -3.694 1.00 0.00 C ATOM 1582 CZ PHE A 110 -2.243 31.443 -3.689 1.00 0.00 C ATOM 0 H PHE A 110 0.779 26.465 -3.950 1.00 0.00 H new ATOM 0 HA PHE A 110 -2.171 26.599 -3.708 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -0.237 27.679 -5.779 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -1.923 27.402 -6.165 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -3.680 28.780 -5.169 1.00 0.00 H new ATOM 0 HD2 PHE A 110 0.422 29.454 -4.233 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.259 30.968 -4.215 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -0.156 31.643 -3.278 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.497 32.406 -3.271 1.00 0.00 H new ATOM 1592 N GLU A 111 -2.555 24.550 -5.051 1.00 0.00 N ATOM 1593 CA GLU A 111 -2.768 23.265 -5.706 1.00 0.00 C ATOM 1594 C GLU A 111 -3.488 23.446 -7.039 1.00 0.00 C ATOM 1595 O GLU A 111 -4.522 24.111 -7.114 1.00 0.00 O ATOM 1596 CB GLU A 111 -3.575 22.333 -4.800 1.00 0.00 C ATOM 1597 CG GLU A 111 -3.864 20.978 -5.423 1.00 0.00 C ATOM 1598 CD GLU A 111 -4.946 20.214 -4.685 1.00 0.00 C ATOM 1599 OE1 GLU A 111 -6.063 20.754 -4.544 1.00 0.00 O ATOM 1600 OE2 GLU A 111 -4.675 19.076 -4.247 1.00 0.00 O ATOM 0 H GLU A 111 -3.385 24.937 -4.602 1.00 0.00 H new ATOM 0 HA GLU A 111 -1.792 22.818 -5.898 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.031 22.186 -3.867 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -4.519 22.815 -4.546 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -4.166 21.117 -6.461 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -2.949 20.385 -5.434 1.00 0.00 H new ATOM 1607 N VAL A 112 -2.933 22.851 -8.090 1.00 0.00 N ATOM 1608 CA VAL A 112 -3.522 22.945 -9.421 1.00 0.00 C ATOM 1609 C VAL A 112 -3.962 21.576 -9.925 1.00 0.00 C ATOM 1610 O VAL A 112 -3.210 20.605 -9.852 1.00 0.00 O ATOM 1611 CB VAL A 112 -2.532 23.558 -10.430 1.00 0.00 C ATOM 1612 CG1 VAL A 112 -3.225 23.835 -11.755 1.00 0.00 C ATOM 1613 CG2 VAL A 112 -1.915 24.828 -9.865 1.00 0.00 C ATOM 0 H VAL A 112 -2.077 22.299 -8.046 1.00 0.00 H new ATOM 0 HA VAL A 112 -4.393 23.595 -9.337 1.00 0.00 H new ATOM 0 HB VAL A 112 -1.731 22.841 -10.609 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.511 24.268 -12.456 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -3.615 22.903 -12.164 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -4.047 24.533 -11.597 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -1.218 25.248 -10.590 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -2.702 25.553 -9.656 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -1.382 24.595 -8.943 1.00 0.00 H new ATOM 1623 N GLU A 113 -5.187 21.506 -10.437 1.00 0.00 N ATOM 1624 CA GLU A 113 -5.728 20.254 -10.954 1.00 0.00 C ATOM 1625 C GLU A 113 -6.343 20.456 -12.336 1.00 0.00 C ATOM 1626 O GLU A 113 -7.451 20.979 -12.465 1.00 0.00 O ATOM 1627 CB GLU A 113 -6.778 19.691 -9.994 1.00 0.00 C ATOM 1628 CG GLU A 113 -7.603 18.562 -10.588 1.00 0.00 C ATOM 1629 CD GLU A 113 -8.153 17.623 -9.531 1.00 0.00 C ATOM 1630 OE1 GLU A 113 -8.135 17.996 -8.340 1.00 0.00 O ATOM 1631 OE2 GLU A 113 -8.601 16.516 -9.896 1.00 0.00 O ATOM 0 H GLU A 113 -5.823 22.301 -10.505 1.00 0.00 H new ATOM 0 HA GLU A 113 -4.907 19.542 -11.041 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -6.279 19.331 -9.094 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -7.446 20.496 -9.687 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -8.430 18.983 -11.160 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -6.987 17.996 -11.287 1.00 0.00 H new ATOM 1638 N LEU A 114 -5.616 20.039 -13.367 1.00 0.00 N ATOM 1639 CA LEU A 114 -6.088 20.174 -14.740 1.00 0.00 C ATOM 1640 C LEU A 114 -7.383 19.395 -14.950 1.00 0.00 C ATOM 1641 O LEU A 114 -7.430 18.181 -14.746 1.00 0.00 O ATOM 1642 CB LEU A 114 -5.020 19.683 -15.719 1.00 0.00 C ATOM 1643 CG LEU A 114 -4.140 20.763 -16.350 1.00 0.00 C ATOM 1644 CD1 LEU A 114 -4.937 21.580 -17.355 1.00 0.00 C ATOM 1645 CD2 LEU A 114 -3.549 21.664 -15.276 1.00 0.00 C ATOM 0 H LEU A 114 -4.697 19.605 -13.278 1.00 0.00 H new ATOM 0 HA LEU A 114 -6.286 21.229 -14.927 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -4.375 18.976 -15.197 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -5.515 19.132 -16.519 1.00 0.00 H new ATOM 0 HG LEU A 114 -3.320 20.275 -16.878 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.295 22.344 -17.794 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -5.311 20.925 -18.141 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -5.777 22.058 -16.851 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -2.926 22.426 -15.743 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.354 22.144 -14.720 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.943 21.068 -14.594 1.00 0.00 H new ATOM 1657 N LEU A 115 -8.431 20.100 -15.361 1.00 0.00 N ATOM 1658 CA LEU A 115 -9.727 19.474 -15.601 1.00 0.00 C ATOM 1659 C LEU A 115 -9.896 19.120 -17.075 1.00 0.00 C ATOM 1660 O LEU A 115 -10.173 17.971 -17.420 1.00 0.00 O ATOM 1661 CB LEU A 115 -10.856 20.406 -15.157 1.00 0.00 C ATOM 1662 CG LEU A 115 -10.958 20.667 -13.654 1.00 0.00 C ATOM 1663 CD1 LEU A 115 -11.679 21.980 -13.387 1.00 0.00 C ATOM 1664 CD2 LEU A 115 -11.670 19.515 -12.960 1.00 0.00 C ATOM 0 H LEU A 115 -8.409 21.105 -15.535 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.772 18.554 -15.017 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.731 21.363 -15.664 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -11.802 19.986 -15.498 1.00 0.00 H new ATOM 0 HG LEU A 115 -9.949 20.742 -13.249 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -11.742 22.148 -12.312 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -11.128 22.798 -13.851 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -12.684 21.935 -13.807 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -11.734 19.718 -11.891 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -12.675 19.409 -13.370 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.113 18.592 -13.122 1.00 0.00 H new ATOM 1676 N ASP A 116 -9.725 20.113 -17.940 1.00 0.00 N ATOM 1677 CA ASP A 116 -9.854 19.906 -19.378 1.00 0.00 C ATOM 1678 C ASP A 116 -9.062 20.955 -20.152 1.00 0.00 C ATOM 1679 O ASP A 116 -8.606 21.948 -19.584 1.00 0.00 O ATOM 1680 CB ASP A 116 -11.326 19.954 -19.791 1.00 0.00 C ATOM 1681 CG ASP A 116 -11.577 19.271 -21.121 1.00 0.00 C ATOM 1682 OD1 ASP A 116 -11.753 18.035 -21.130 1.00 0.00 O ATOM 1683 OD2 ASP A 116 -11.597 19.973 -22.154 1.00 0.00 O ATOM 0 H ASP A 116 -9.497 21.070 -17.671 1.00 0.00 H new ATOM 0 HA ASP A 116 -9.449 18.923 -19.616 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.932 19.477 -19.021 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -11.649 20.993 -19.853 1.00 0.00 H new ATOM 1688 N VAL A 117 -8.901 20.728 -21.452 1.00 0.00 N ATOM 1689 CA VAL A 117 -8.164 21.653 -22.304 1.00 0.00 C ATOM 1690 C VAL A 117 -8.791 21.741 -23.691 1.00 0.00 C ATOM 1691 O VAL A 117 -8.126 22.185 -24.626 1.00 0.00 O ATOM 1692 CB VAL A 117 -6.689 21.232 -22.445 1.00 0.00 C ATOM 1693 CG1 VAL A 117 -6.051 21.054 -21.076 1.00 0.00 C ATOM 1694 CG2 VAL A 117 -6.576 19.956 -23.266 1.00 0.00 C ATOM 0 H VAL A 117 -9.271 19.911 -21.938 1.00 0.00 H new ATOM 0 HA VAL A 117 -8.211 22.631 -21.825 1.00 0.00 H new ATOM 0 HB VAL A 117 -6.152 22.023 -22.969 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -5.009 20.757 -21.196 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -6.099 21.995 -20.527 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -6.587 20.283 -20.522 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -5.527 19.673 -23.356 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.127 19.156 -22.772 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -6.993 20.124 -24.259 1.00 0.00 H new