USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 731 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 79 GLN : amide:sc= -0.829 K(o=-2.1,f=-6.4!) USER MOD Set 1.2: A 93 GLN : amide:sc= -1.13 K(o=-2.1,f=-8.6!) USER MOD Set 1.3: A 96 GLN : amide:sc= -0.188 K(o=-2.1,f=-7.2!) USER MOD Single : A 11 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.018) USER MOD Single : A 16 GLN :FLIP amide:sc= -4.16! C(o=-6.8!,f=-4.2!) USER MOD Single : A 21 THR OG1 : rot -65:sc= 0.251! USER MOD Single : A 25 SER OG : rot 180:sc= -1.26 USER MOD Single : A 26 GLN : amide:sc= -8.04! C(o=-8!,f=-8.4!) USER MOD Single : A 27 HIS : no HD1:sc= -0.031 X(o=-0.031,f=-0.19) USER MOD Single : A 30 GLN : amide:sc= -0.662 K(o=-0.66,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.00801) USER MOD Single : A 34 ASN :FLIP amide:sc= -6.65! C(o=-9.4!,f=-6.7!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.958 F(o=-2.1!,f=-0.96) USER MOD Single : A 55 GLN : amide:sc= -3.55! C(o=-3.5!,f=-3.6!) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 144:sc= -2.87! (180deg=-4.61!) USER MOD Single : A 77 SER OG : rot 180:sc= -0.181 USER MOD Single : A 82 SER OG : rot 54:sc= -5.23! USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0197 USER MOD Single : A 89 GLN :FLIP amide:sc= -1.76! C(o=-3.7!,f=-1.8!) USER MOD Single : A 92 ASN :FLIP amide:sc= -0.0179 F(o=-1.6!,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 132 N GLN A 11 -4.021 -4.995 16.007 1.00 0.00 N ATOM 133 CA GLN A 11 -2.960 -4.000 15.920 1.00 0.00 C ATOM 134 C GLN A 11 -3.021 -3.285 14.577 1.00 0.00 C ATOM 135 O GLN A 11 -3.439 -3.868 13.576 1.00 0.00 O ATOM 136 CB GLN A 11 -1.599 -4.683 16.074 1.00 0.00 C ATOM 137 CG GLN A 11 -1.613 -5.576 17.316 1.00 0.00 C ATOM 138 CD GLN A 11 -0.507 -5.145 18.273 1.00 0.00 C ATOM 139 OE1 GLN A 11 -0.756 -4.929 19.458 1.00 0.00 O ATOM 140 NE2 GLN A 11 0.710 -5.005 17.821 1.00 0.00 N ATOM 0 HA GLN A 11 -3.094 -3.270 16.719 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.377 -5.278 15.188 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.812 -3.934 16.161 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.582 -5.510 17.812 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.472 -6.618 17.028 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.913 -5.185 16.838 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.458 -4.716 18.451 1.00 0.00 H new ATOM 149 N PRO A 12 -2.611 -2.047 14.530 1.00 0.00 N ATOM 150 CA PRO A 12 -2.618 -1.257 13.274 1.00 0.00 C ATOM 151 C PRO A 12 -2.027 -2.054 12.115 1.00 0.00 C ATOM 152 O PRO A 12 -1.263 -2.997 12.326 1.00 0.00 O ATOM 153 CB PRO A 12 -1.753 -0.025 13.582 1.00 0.00 C ATOM 154 CG PRO A 12 -1.277 -0.164 14.998 1.00 0.00 C ATOM 155 CD PRO A 12 -2.104 -1.263 15.660 1.00 0.00 C ATOM 0 HA PRO A 12 -3.630 -0.989 12.970 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.908 0.034 12.896 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.330 0.892 13.458 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.217 -0.416 15.022 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.393 0.778 15.535 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.497 -1.872 16.329 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.917 -0.848 16.256 1.00 0.00 H new ATOM 163 N LEU A 13 -2.383 -1.675 10.894 1.00 0.00 N ATOM 164 CA LEU A 13 -1.880 -2.366 9.716 1.00 0.00 C ATOM 165 C LEU A 13 -0.501 -1.832 9.357 1.00 0.00 C ATOM 166 O LEU A 13 -0.299 -0.621 9.287 1.00 0.00 O ATOM 167 CB LEU A 13 -2.834 -2.134 8.543 1.00 0.00 C ATOM 168 CG LEU A 13 -2.550 -3.138 7.427 1.00 0.00 C ATOM 169 CD1 LEU A 13 -3.638 -3.012 6.365 1.00 0.00 C ATOM 170 CD2 LEU A 13 -1.191 -2.840 6.792 1.00 0.00 C ATOM 0 H LEU A 13 -3.014 -0.898 10.695 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.811 -3.433 9.927 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.866 -2.234 8.879 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.719 -1.118 8.166 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.539 -4.147 7.838 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.447 -3.724 5.562 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.609 -3.222 6.813 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.636 -2.000 5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.995 -3.560 5.997 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.197 -1.833 6.376 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.411 -2.915 7.550 1.00 0.00 H new ATOM 182 N LEU A 14 0.447 -2.732 9.121 1.00 0.00 N ATOM 183 CA LEU A 14 1.780 -2.309 8.764 1.00 0.00 C ATOM 184 C LEU A 14 1.938 -2.333 7.251 1.00 0.00 C ATOM 185 O LEU A 14 1.843 -3.382 6.609 1.00 0.00 O ATOM 186 CB LEU A 14 2.798 -3.216 9.452 1.00 0.00 C ATOM 187 CG LEU A 14 2.569 -3.164 10.967 1.00 0.00 C ATOM 188 CD1 LEU A 14 3.727 -3.856 11.689 1.00 0.00 C ATOM 189 CD2 LEU A 14 2.481 -1.705 11.424 1.00 0.00 C ATOM 0 H LEU A 14 0.313 -3.742 9.171 1.00 0.00 H new ATOM 0 HA LEU A 14 1.953 -1.287 9.100 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.695 -4.239 9.091 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.811 -2.894 9.213 1.00 0.00 H new ATOM 0 HG LEU A 14 1.637 -3.676 11.206 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.560 -3.817 12.765 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.786 -4.896 11.369 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.661 -3.349 11.448 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.318 -1.670 12.501 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.411 -1.191 11.181 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.651 -1.214 10.916 1.00 0.00 H new ATOM 201 N LEU A 15 2.139 -1.149 6.693 1.00 0.00 N ATOM 202 CA LEU A 15 2.266 -0.992 5.254 1.00 0.00 C ATOM 203 C LEU A 15 3.594 -0.318 4.909 1.00 0.00 C ATOM 204 O LEU A 15 3.954 0.695 5.507 1.00 0.00 O ATOM 205 CB LEU A 15 1.084 -0.138 4.774 1.00 0.00 C ATOM 206 CG LEU A 15 0.882 -0.282 3.270 1.00 0.00 C ATOM 207 CD1 LEU A 15 2.097 0.283 2.540 1.00 0.00 C ATOM 208 CD2 LEU A 15 0.689 -1.761 2.923 1.00 0.00 C ATOM 0 H LEU A 15 2.218 -0.279 7.219 1.00 0.00 H new ATOM 0 HA LEU A 15 2.254 -1.964 4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.177 -0.440 5.297 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.262 0.908 5.022 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.004 0.271 2.959 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.955 0.181 1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.215 1.337 2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.990 -0.265 2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.544 -1.867 1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.571 -2.324 3.227 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.186 -2.146 3.446 1.00 0.00 H new ATOM 220 N GLN A 16 4.324 -0.884 3.945 1.00 0.00 N ATOM 221 CA GLN A 16 5.610 -0.314 3.548 1.00 0.00 C ATOM 222 C GLN A 16 5.663 -0.047 2.050 1.00 0.00 C ATOM 223 O GLN A 16 4.962 -0.686 1.266 1.00 0.00 O ATOM 224 CB GLN A 16 6.750 -1.255 3.933 1.00 0.00 C ATOM 225 CG GLN A 16 7.074 -1.080 5.415 1.00 0.00 C ATOM 226 CD GLN A 16 8.242 -1.980 5.800 1.00 0.00 C ATOM 227 OE1 GLN A 16 8.742 -2.799 4.915 1.00 0.00 O flip ATOM 228 NE2 GLN A 16 8.714 -1.935 6.936 1.00 0.00 N flip ATOM 0 H GLN A 16 4.051 -1.723 3.433 1.00 0.00 H new ATOM 0 HA GLN A 16 5.723 0.634 4.073 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.467 -2.288 3.731 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.632 -1.042 3.329 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.322 -0.039 5.622 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.200 -1.325 6.019 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.322 -1.294 7.626 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.497 -2.538 7.187 1.00 0.00 H new ATOM 237 N LEU A 17 6.507 0.907 1.662 1.00 0.00 N ATOM 238 CA LEU A 17 6.649 1.256 0.256 1.00 0.00 C ATOM 239 C LEU A 17 8.117 1.399 -0.134 1.00 0.00 C ATOM 240 O LEU A 17 8.897 2.053 0.559 1.00 0.00 O ATOM 241 CB LEU A 17 5.909 2.560 -0.040 1.00 0.00 C ATOM 242 CG LEU A 17 5.962 2.836 -1.544 1.00 0.00 C ATOM 243 CD1 LEU A 17 4.927 1.972 -2.265 1.00 0.00 C ATOM 244 CD2 LEU A 17 5.661 4.311 -1.801 1.00 0.00 C ATOM 0 H LEU A 17 7.096 1.446 2.297 1.00 0.00 H new ATOM 0 HA LEU A 17 6.215 0.449 -0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.874 2.489 0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.364 3.384 0.510 1.00 0.00 H new ATOM 0 HG LEU A 17 6.956 2.595 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.968 2.172 -3.336 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.142 0.919 -2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.931 2.208 -1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.699 4.509 -2.872 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.667 4.551 -1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.402 4.928 -1.292 1.00 0.00 H new ATOM 256 N PHE A 18 8.480 0.787 -1.258 1.00 0.00 N ATOM 257 CA PHE A 18 9.850 0.852 -1.754 1.00 0.00 C ATOM 258 C PHE A 18 9.967 1.907 -2.846 1.00 0.00 C ATOM 259 O PHE A 18 9.279 1.834 -3.864 1.00 0.00 O ATOM 260 CB PHE A 18 10.259 -0.504 -2.332 1.00 0.00 C ATOM 261 CG PHE A 18 10.477 -1.495 -1.220 1.00 0.00 C ATOM 262 CD1 PHE A 18 9.383 -2.106 -0.596 1.00 0.00 C ATOM 263 CD2 PHE A 18 11.778 -1.810 -0.820 1.00 0.00 C ATOM 264 CE1 PHE A 18 9.594 -3.033 0.432 1.00 0.00 C ATOM 265 CE2 PHE A 18 11.991 -2.737 0.206 1.00 0.00 C ATOM 266 CZ PHE A 18 10.898 -3.349 0.833 1.00 0.00 C ATOM 0 H PHE A 18 7.845 0.242 -1.841 1.00 0.00 H new ATOM 0 HA PHE A 18 10.505 1.114 -0.923 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.485 -0.868 -3.008 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.171 -0.398 -2.919 1.00 0.00 H new ATOM 0 HD1 PHE A 18 8.378 -1.863 -0.907 1.00 0.00 H new ATOM 0 HD2 PHE A 18 12.620 -1.337 -1.303 1.00 0.00 H new ATOM 0 HE1 PHE A 18 8.751 -3.504 0.916 1.00 0.00 H new ATOM 0 HE2 PHE A 18 12.997 -2.980 0.514 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.061 -4.064 1.625 1.00 0.00 H new ATOM 276 N VAL A 19 10.838 2.886 -2.636 1.00 0.00 N ATOM 277 CA VAL A 19 11.016 3.939 -3.631 1.00 0.00 C ATOM 278 C VAL A 19 12.494 4.206 -3.909 1.00 0.00 C ATOM 279 O VAL A 19 13.354 3.967 -3.058 1.00 0.00 O ATOM 280 CB VAL A 19 10.354 5.230 -3.148 1.00 0.00 C ATOM 281 CG1 VAL A 19 8.900 4.950 -2.768 1.00 0.00 C ATOM 282 CG2 VAL A 19 11.104 5.769 -1.927 1.00 0.00 C ATOM 0 H VAL A 19 11.422 2.974 -1.804 1.00 0.00 H new ATOM 0 HA VAL A 19 10.548 3.601 -4.556 1.00 0.00 H new ATOM 0 HB VAL A 19 10.385 5.970 -3.948 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.430 5.871 -2.424 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.363 4.571 -3.638 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.869 4.207 -1.971 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.630 6.689 -1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.077 5.029 -1.128 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.140 5.974 -2.197 1.00 0.00 H new ATOM 292 N ASP A 20 12.767 4.725 -5.103 1.00 0.00 N ATOM 293 CA ASP A 20 14.130 5.060 -5.501 1.00 0.00 C ATOM 294 C ASP A 20 14.362 6.558 -5.312 1.00 0.00 C ATOM 295 O ASP A 20 15.291 7.132 -5.877 1.00 0.00 O ATOM 296 CB ASP A 20 14.366 4.684 -6.965 1.00 0.00 C ATOM 297 CG ASP A 20 13.551 5.600 -7.864 1.00 0.00 C ATOM 298 OD1 ASP A 20 12.810 6.407 -7.330 1.00 0.00 O ATOM 299 OD2 ASP A 20 13.683 5.487 -9.072 1.00 0.00 O ATOM 0 H ASP A 20 12.061 4.923 -5.812 1.00 0.00 H new ATOM 0 HA ASP A 20 14.827 4.499 -4.879 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.425 4.769 -7.207 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.083 3.645 -7.134 1.00 0.00 H new ATOM 304 N THR A 21 13.493 7.175 -4.512 1.00 0.00 N ATOM 305 CA THR A 21 13.571 8.609 -4.231 1.00 0.00 C ATOM 306 C THR A 21 13.119 9.444 -5.432 1.00 0.00 C ATOM 307 O THR A 21 13.123 10.673 -5.372 1.00 0.00 O ATOM 308 CB THR A 21 14.999 9.011 -3.837 1.00 0.00 C ATOM 309 OG1 THR A 21 15.819 9.071 -4.995 1.00 0.00 O ATOM 310 CG2 THR A 21 15.578 7.997 -2.846 1.00 0.00 C ATOM 0 H THR A 21 12.721 6.700 -4.044 1.00 0.00 H new ATOM 0 HA THR A 21 12.897 8.809 -3.398 1.00 0.00 H new ATOM 0 HB THR A 21 14.971 9.993 -3.364 1.00 0.00 H new ATOM 0 HG1 THR A 21 15.904 8.175 -5.382 1.00 0.00 H new ATOM 0 HG21 THR A 21 16.591 8.292 -2.574 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.956 7.967 -1.951 1.00 0.00 H new ATOM 0 HG23 THR A 21 15.599 7.009 -3.307 1.00 0.00 H new ATOM 318 N ARG A 22 12.711 8.781 -6.511 1.00 0.00 N ATOM 319 CA ARG A 22 12.240 9.499 -7.695 1.00 0.00 C ATOM 320 C ARG A 22 10.852 10.079 -7.433 1.00 0.00 C ATOM 321 O ARG A 22 10.068 9.506 -6.676 1.00 0.00 O ATOM 322 CB ARG A 22 12.198 8.565 -8.905 1.00 0.00 C ATOM 323 CG ARG A 22 10.928 7.722 -8.857 1.00 0.00 C ATOM 324 CD ARG A 22 10.979 6.688 -9.977 1.00 0.00 C ATOM 325 NE ARG A 22 10.482 5.404 -9.502 1.00 0.00 N ATOM 326 CZ ARG A 22 10.653 4.298 -10.215 1.00 0.00 C ATOM 327 NH1 ARG A 22 10.403 4.303 -11.496 1.00 0.00 N ATOM 328 NH2 ARG A 22 11.071 3.206 -9.636 1.00 0.00 N ATOM 0 H ARG A 22 12.696 7.764 -6.592 1.00 0.00 H new ATOM 0 HA ARG A 22 12.933 10.313 -7.909 1.00 0.00 H new ATOM 0 HB2 ARG A 22 12.226 9.146 -9.827 1.00 0.00 H new ATOM 0 HB3 ARG A 22 13.076 7.919 -8.909 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.841 7.226 -7.890 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.049 8.357 -8.970 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.380 7.027 -10.822 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.003 6.580 -10.335 1.00 0.00 H new ATOM 0 HE ARG A 22 9.995 5.354 -8.607 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.076 5.157 -11.949 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.534 3.453 -12.045 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.266 3.202 -8.635 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.202 2.356 -10.184 1.00 0.00 H new ATOM 342 N PRO A 23 10.546 11.207 -8.020 1.00 0.00 N ATOM 343 CA PRO A 23 9.233 11.882 -7.821 1.00 0.00 C ATOM 344 C PRO A 23 8.048 10.959 -8.101 1.00 0.00 C ATOM 345 O PRO A 23 7.044 11.002 -7.394 1.00 0.00 O ATOM 346 CB PRO A 23 9.224 13.047 -8.815 1.00 0.00 C ATOM 347 CG PRO A 23 10.513 13.000 -9.574 1.00 0.00 C ATOM 348 CD PRO A 23 11.422 11.953 -8.928 1.00 0.00 C ATOM 0 HA PRO A 23 9.126 12.200 -6.784 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.376 12.965 -9.494 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.122 13.997 -8.291 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.328 12.748 -10.618 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.995 13.978 -9.563 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.866 11.297 -9.677 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.244 12.422 -8.388 1.00 0.00 H new ATOM 356 N LEU A 24 8.164 10.135 -9.139 1.00 0.00 N ATOM 357 CA LEU A 24 7.077 9.227 -9.492 1.00 0.00 C ATOM 358 C LEU A 24 6.676 8.383 -8.285 1.00 0.00 C ATOM 359 O LEU A 24 5.489 8.218 -8.000 1.00 0.00 O ATOM 360 CB LEU A 24 7.515 8.308 -10.633 1.00 0.00 C ATOM 361 CG LEU A 24 6.354 7.394 -11.028 1.00 0.00 C ATOM 362 CD1 LEU A 24 5.313 8.194 -11.811 1.00 0.00 C ATOM 363 CD2 LEU A 24 6.883 6.254 -11.899 1.00 0.00 C ATOM 0 H LEU A 24 8.985 10.077 -9.741 1.00 0.00 H new ATOM 0 HA LEU A 24 6.220 9.820 -9.811 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.832 8.901 -11.490 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.373 7.711 -10.324 1.00 0.00 H new ATOM 0 HG LEU A 24 5.892 6.985 -10.130 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.487 7.540 -12.091 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.937 9.008 -11.191 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.771 8.605 -12.710 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.058 5.600 -12.183 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.345 6.666 -12.796 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.623 5.682 -11.340 1.00 0.00 H new ATOM 375 N SER A 25 7.670 7.861 -7.570 1.00 0.00 N ATOM 376 CA SER A 25 7.396 7.051 -6.390 1.00 0.00 C ATOM 377 C SER A 25 6.697 7.905 -5.339 1.00 0.00 C ATOM 378 O SER A 25 5.700 7.491 -4.747 1.00 0.00 O ATOM 379 CB SER A 25 8.700 6.493 -5.824 1.00 0.00 C ATOM 380 OG SER A 25 9.407 5.815 -6.854 1.00 0.00 O ATOM 0 H SER A 25 8.660 7.983 -7.785 1.00 0.00 H new ATOM 0 HA SER A 25 6.749 6.219 -6.668 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.310 7.301 -5.420 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.490 5.810 -5.001 1.00 0.00 H new ATOM 0 HG SER A 25 10.245 5.457 -6.494 1.00 0.00 H new ATOM 386 N GLN A 26 7.210 9.118 -5.139 1.00 0.00 N ATOM 387 CA GLN A 26 6.603 10.040 -4.188 1.00 0.00 C ATOM 388 C GLN A 26 5.212 10.395 -4.685 1.00 0.00 C ATOM 389 O GLN A 26 4.280 10.590 -3.909 1.00 0.00 O ATOM 390 CB GLN A 26 7.454 11.307 -4.063 1.00 0.00 C ATOM 391 CG GLN A 26 8.778 10.986 -3.356 1.00 0.00 C ATOM 392 CD GLN A 26 9.114 9.503 -3.491 1.00 0.00 C ATOM 393 OE1 GLN A 26 9.898 9.119 -4.358 1.00 0.00 O ATOM 394 NE2 GLN A 26 8.561 8.642 -2.680 1.00 0.00 N ATOM 0 H GLN A 26 8.035 9.480 -5.618 1.00 0.00 H new ATOM 0 HA GLN A 26 6.541 9.572 -3.206 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.652 11.720 -5.052 1.00 0.00 H new ATOM 0 HB3 GLN A 26 6.909 12.067 -3.503 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.580 11.587 -3.785 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.708 11.254 -2.302 1.00 0.00 H new ATOM 0 HE21 GLN A 26 7.911 8.962 -1.962 1.00 0.00 H new ATOM 0 HE22 GLN A 26 8.779 7.649 -2.765 1.00 0.00 H new ATOM 403 N HIS A 27 5.093 10.447 -6.003 1.00 0.00 N ATOM 404 CA HIS A 27 3.827 10.743 -6.649 1.00 0.00 C ATOM 405 C HIS A 27 2.837 9.645 -6.279 1.00 0.00 C ATOM 406 O HIS A 27 1.725 9.895 -5.797 1.00 0.00 O ATOM 407 CB HIS A 27 4.055 10.743 -8.160 1.00 0.00 C ATOM 408 CG HIS A 27 3.163 11.737 -8.836 1.00 0.00 C ATOM 409 ND1 HIS A 27 1.903 12.063 -8.367 1.00 0.00 N ATOM 410 CD2 HIS A 27 3.359 12.495 -9.959 1.00 0.00 C ATOM 411 CE1 HIS A 27 1.390 12.987 -9.203 1.00 0.00 C ATOM 412 NE2 HIS A 27 2.239 13.286 -10.192 1.00 0.00 N ATOM 0 H HIS A 27 5.866 10.286 -6.649 1.00 0.00 H new ATOM 0 HA HIS A 27 3.438 11.711 -6.334 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.097 10.979 -8.374 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.865 9.747 -8.560 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.249 12.481 -10.571 1.00 0.00 H new ATOM 0 HE1 HIS A 27 0.413 13.432 -9.088 1.00 0.00 H new ATOM 0 HE2 HIS A 27 2.096 13.950 -10.953 1.00 0.00 H new ATOM 420 N ILE A 28 3.285 8.414 -6.494 1.00 0.00 N ATOM 421 CA ILE A 28 2.488 7.245 -6.178 1.00 0.00 C ATOM 422 C ILE A 28 2.230 7.171 -4.677 1.00 0.00 C ATOM 423 O ILE A 28 1.177 6.703 -4.246 1.00 0.00 O ATOM 424 CB ILE A 28 3.211 5.988 -6.661 1.00 0.00 C ATOM 425 CG1 ILE A 28 3.282 6.012 -8.190 1.00 0.00 C ATOM 426 CG2 ILE A 28 2.451 4.744 -6.200 1.00 0.00 C ATOM 427 CD1 ILE A 28 4.128 4.840 -8.685 1.00 0.00 C ATOM 0 H ILE A 28 4.202 8.204 -6.888 1.00 0.00 H new ATOM 0 HA ILE A 28 1.526 7.318 -6.686 1.00 0.00 H new ATOM 0 HB ILE A 28 4.218 5.961 -6.245 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.278 5.952 -8.611 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.714 6.954 -8.529 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.971 3.851 -6.547 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.398 4.733 -5.111 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.442 4.760 -6.613 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.176 4.860 -9.774 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.135 4.920 -8.276 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.677 3.903 -8.359 1.00 0.00 H new ATOM 439 N VAL A 29 3.185 7.654 -3.882 1.00 0.00 N ATOM 440 CA VAL A 29 3.011 7.642 -2.435 1.00 0.00 C ATOM 441 C VAL A 29 1.735 8.384 -2.082 1.00 0.00 C ATOM 442 O VAL A 29 0.939 7.923 -1.264 1.00 0.00 O ATOM 443 CB VAL A 29 4.199 8.300 -1.731 1.00 0.00 C ATOM 444 CG1 VAL A 29 3.833 8.580 -0.272 1.00 0.00 C ATOM 445 CG2 VAL A 29 5.401 7.358 -1.772 1.00 0.00 C ATOM 0 H VAL A 29 4.067 8.049 -4.208 1.00 0.00 H new ATOM 0 HA VAL A 29 2.949 6.607 -2.100 1.00 0.00 H new ATOM 0 HB VAL A 29 4.447 9.234 -2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.678 9.049 0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.972 9.248 -0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.587 7.643 0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.248 7.827 -1.270 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.150 6.426 -1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.664 7.149 -2.809 1.00 0.00 H new ATOM 455 N GLN A 30 1.527 9.525 -2.733 1.00 0.00 N ATOM 456 CA GLN A 30 0.320 10.296 -2.497 1.00 0.00 C ATOM 457 C GLN A 30 -0.875 9.427 -2.823 1.00 0.00 C ATOM 458 O GLN A 30 -1.858 9.399 -2.086 1.00 0.00 O ATOM 459 CB GLN A 30 0.295 11.548 -3.371 1.00 0.00 C ATOM 460 CG GLN A 30 1.396 12.505 -2.926 1.00 0.00 C ATOM 461 CD GLN A 30 1.204 12.872 -1.457 1.00 0.00 C ATOM 462 OE1 GLN A 30 1.727 12.194 -0.575 1.00 0.00 O ATOM 463 NE2 GLN A 30 0.473 13.907 -1.141 1.00 0.00 N ATOM 0 H GLN A 30 2.169 9.927 -3.416 1.00 0.00 H new ATOM 0 HA GLN A 30 0.292 10.610 -1.453 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.436 11.276 -4.417 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.677 12.036 -3.297 1.00 0.00 H new ATOM 0 HG2 GLN A 30 2.372 12.042 -3.069 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.377 13.405 -3.540 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.040 14.468 -1.874 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.335 14.154 -0.161 1.00 0.00 H new ATOM 472 N ARG A 31 -0.770 8.687 -3.924 1.00 0.00 N ATOM 473 CA ARG A 31 -1.851 7.795 -4.307 1.00 0.00 C ATOM 474 C ARG A 31 -2.042 6.748 -3.218 1.00 0.00 C ATOM 475 O ARG A 31 -3.167 6.395 -2.873 1.00 0.00 O ATOM 476 CB ARG A 31 -1.542 7.108 -5.637 1.00 0.00 C ATOM 477 CG ARG A 31 -1.455 8.162 -6.740 1.00 0.00 C ATOM 478 CD ARG A 31 -1.406 7.474 -8.102 1.00 0.00 C ATOM 479 NE ARG A 31 -1.084 8.440 -9.147 1.00 0.00 N ATOM 480 CZ ARG A 31 0.139 8.512 -9.660 1.00 0.00 C ATOM 481 NH1 ARG A 31 1.133 8.921 -8.920 1.00 0.00 N ATOM 482 NH2 ARG A 31 0.346 8.175 -10.905 1.00 0.00 N ATOM 0 H ARG A 31 0.034 8.688 -4.551 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.765 8.377 -4.428 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.603 6.560 -5.567 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.319 6.381 -5.873 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.316 8.829 -6.689 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.566 8.777 -6.600 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.659 6.680 -8.089 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.367 7.005 -8.315 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.810 9.070 -9.489 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.970 9.185 -7.948 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.072 8.977 -9.313 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.432 7.857 -11.483 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.285 8.230 -11.299 1.00 0.00 H new ATOM 496 N VAL A 32 -0.933 6.276 -2.658 1.00 0.00 N ATOM 497 CA VAL A 32 -0.999 5.294 -1.586 1.00 0.00 C ATOM 498 C VAL A 32 -1.658 5.920 -0.363 1.00 0.00 C ATOM 499 O VAL A 32 -2.632 5.393 0.171 1.00 0.00 O ATOM 500 CB VAL A 32 0.410 4.808 -1.231 1.00 0.00 C ATOM 501 CG1 VAL A 32 0.346 3.868 -0.024 1.00 0.00 C ATOM 502 CG2 VAL A 32 1.001 4.059 -2.427 1.00 0.00 C ATOM 0 H VAL A 32 0.011 6.555 -2.926 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.591 4.440 -1.917 1.00 0.00 H new ATOM 0 HB VAL A 32 1.037 5.665 -0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.351 3.525 0.224 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.077 4.399 0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.281 3.009 -0.264 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.004 3.711 -2.179 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.370 3.204 -2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.051 4.728 -3.286 1.00 0.00 H new ATOM 512 N LYS A 33 -1.124 7.060 0.066 1.00 0.00 N ATOM 513 CA LYS A 33 -1.670 7.763 1.215 1.00 0.00 C ATOM 514 C LYS A 33 -3.107 8.197 0.957 1.00 0.00 C ATOM 515 O LYS A 33 -3.963 8.104 1.835 1.00 0.00 O ATOM 516 CB LYS A 33 -0.815 8.987 1.524 1.00 0.00 C ATOM 517 CG LYS A 33 0.537 8.531 2.073 1.00 0.00 C ATOM 518 CD LYS A 33 1.327 9.747 2.546 1.00 0.00 C ATOM 519 CE LYS A 33 2.675 9.292 3.104 1.00 0.00 C ATOM 520 NZ LYS A 33 2.486 8.787 4.493 1.00 0.00 N ATOM 0 H LYS A 33 -0.318 7.512 -0.365 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.662 7.083 2.067 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.673 9.583 0.622 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.320 9.624 2.250 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.391 7.835 2.899 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.094 7.999 1.302 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.479 10.440 1.718 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.766 10.283 3.312 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.097 8.509 2.474 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.383 10.121 3.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.312 9.043 5.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 1.631 9.213 4.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.384 7.752 4.475 1.00 0.00 H new ATOM 534 N ASN A 34 -3.362 8.672 -0.257 1.00 0.00 N ATOM 535 CA ASN A 34 -4.694 9.123 -0.625 1.00 0.00 C ATOM 536 C ASN A 34 -5.698 7.978 -0.525 1.00 0.00 C ATOM 537 O ASN A 34 -6.794 8.146 0.007 1.00 0.00 O ATOM 538 CB ASN A 34 -4.668 9.664 -2.054 1.00 0.00 C ATOM 539 CG ASN A 34 -3.778 10.905 -2.131 1.00 0.00 C ATOM 540 OD1 ASN A 34 -2.982 11.067 -3.156 1.00 0.00 O flip ATOM 541 ND2 ASN A 34 -3.808 11.746 -1.234 1.00 0.00 N flip ATOM 0 H ASN A 34 -2.666 8.754 -0.998 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.001 9.911 0.063 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.296 8.898 -2.734 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.680 9.912 -2.375 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.429 11.618 -0.435 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -3.211 12.572 -1.289 1.00 0.00 H new ATOM 548 N ILE A 35 -5.311 6.813 -1.033 1.00 0.00 N ATOM 549 CA ILE A 35 -6.182 5.642 -0.987 1.00 0.00 C ATOM 550 C ILE A 35 -6.364 5.150 0.444 1.00 0.00 C ATOM 551 O ILE A 35 -7.485 4.925 0.895 1.00 0.00 O ATOM 552 CB ILE A 35 -5.587 4.522 -1.835 1.00 0.00 C ATOM 553 CG1 ILE A 35 -5.601 4.934 -3.310 1.00 0.00 C ATOM 554 CG2 ILE A 35 -6.414 3.248 -1.653 1.00 0.00 C ATOM 555 CD1 ILE A 35 -4.713 3.983 -4.115 1.00 0.00 C ATOM 0 H ILE A 35 -4.407 6.654 -1.478 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.157 5.929 -1.382 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.560 4.336 -1.520 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.620 4.910 -3.695 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.244 5.958 -3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.988 2.448 -2.259 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.402 2.953 -0.604 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.441 3.433 -1.966 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.723 4.277 -5.165 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.692 4.029 -3.735 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.090 2.965 -4.019 1.00 0.00 H new ATOM 567 N LEU A 36 -5.257 4.985 1.160 1.00 0.00 N ATOM 568 CA LEU A 36 -5.327 4.521 2.540 1.00 0.00 C ATOM 569 C LEU A 36 -6.143 5.503 3.371 1.00 0.00 C ATOM 570 O LEU A 36 -6.999 5.107 4.163 1.00 0.00 O ATOM 571 CB LEU A 36 -3.918 4.397 3.123 1.00 0.00 C ATOM 572 CG LEU A 36 -3.120 3.362 2.326 1.00 0.00 C ATOM 573 CD1 LEU A 36 -1.657 3.397 2.772 1.00 0.00 C ATOM 574 CD2 LEU A 36 -3.694 1.966 2.581 1.00 0.00 C ATOM 0 H LEU A 36 -4.314 5.163 0.814 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.808 3.543 2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.414 5.363 3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.972 4.101 4.171 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.185 3.593 1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.086 2.661 2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.246 4.390 2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.595 3.165 3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.125 1.230 2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.628 1.734 3.644 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.738 1.939 2.268 1.00 0.00 H new ATOM 586 N ALA A 37 -5.882 6.788 3.164 1.00 0.00 N ATOM 587 CA ALA A 37 -6.602 7.832 3.875 1.00 0.00 C ATOM 588 C ALA A 37 -8.034 7.926 3.359 1.00 0.00 C ATOM 589 O ALA A 37 -8.875 8.602 3.953 1.00 0.00 O ATOM 590 CB ALA A 37 -5.897 9.177 3.686 1.00 0.00 C ATOM 0 H ALA A 37 -5.178 7.130 2.510 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.621 7.584 4.936 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.444 9.953 4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.881 9.113 4.076 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.863 9.424 2.625 1.00 0.00 H new ATOM 596 N ALA A 38 -8.300 7.251 2.243 1.00 0.00 N ATOM 597 CA ALA A 38 -9.629 7.277 1.649 1.00 0.00 C ATOM 598 C ALA A 38 -10.525 6.231 2.292 1.00 0.00 C ATOM 599 O ALA A 38 -11.610 5.938 1.790 1.00 0.00 O ATOM 600 CB ALA A 38 -9.546 7.023 0.142 1.00 0.00 C ATOM 0 H ALA A 38 -7.618 6.685 1.738 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.057 8.264 1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.548 7.046 -0.287 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.934 7.796 -0.324 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.096 6.047 -0.038 1.00 0.00 H new ATOM 606 N VAL A 39 -10.066 5.665 3.403 1.00 0.00 N ATOM 607 CA VAL A 39 -10.847 4.649 4.091 1.00 0.00 C ATOM 608 C VAL A 39 -10.556 4.646 5.590 1.00 0.00 C ATOM 609 O VAL A 39 -11.442 4.373 6.401 1.00 0.00 O ATOM 610 CB VAL A 39 -10.535 3.270 3.510 1.00 0.00 C ATOM 611 CG1 VAL A 39 -9.022 3.049 3.501 1.00 0.00 C ATOM 612 CG2 VAL A 39 -11.201 2.193 4.371 1.00 0.00 C ATOM 0 H VAL A 39 -9.172 5.889 3.839 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.902 4.882 3.945 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.916 3.211 2.491 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.800 2.065 3.087 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.546 3.816 2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.640 3.108 4.520 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.980 1.209 3.958 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.818 2.254 5.390 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.280 2.349 4.379 1.00 0.00 H new ATOM 622 N GLU A 40 -9.316 4.950 5.953 1.00 0.00 N ATOM 623 CA GLU A 40 -8.928 4.977 7.360 1.00 0.00 C ATOM 624 C GLU A 40 -9.626 3.855 8.127 1.00 0.00 C ATOM 625 O GLU A 40 -9.123 2.734 8.201 1.00 0.00 O ATOM 626 CB GLU A 40 -9.299 6.326 7.978 1.00 0.00 C ATOM 627 CG GLU A 40 -8.602 7.450 7.208 1.00 0.00 C ATOM 628 CD GLU A 40 -8.885 8.795 7.869 1.00 0.00 C ATOM 629 OE1 GLU A 40 -9.678 8.824 8.796 1.00 0.00 O ATOM 630 OE2 GLU A 40 -8.303 9.778 7.440 1.00 0.00 O ATOM 0 H GLU A 40 -8.567 5.180 5.300 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.850 4.833 7.425 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.380 6.466 7.949 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.003 6.351 9.027 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.527 7.269 7.180 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.950 7.464 6.175 1.00 0.00 H new ATOM 637 N ALA A 41 -10.786 4.168 8.697 1.00 0.00 N ATOM 638 CA ALA A 41 -11.548 3.180 9.458 1.00 0.00 C ATOM 639 C ALA A 41 -11.077 3.138 10.909 1.00 0.00 C ATOM 640 O ALA A 41 -10.229 3.931 11.318 1.00 0.00 O ATOM 641 CB ALA A 41 -11.389 1.795 8.828 1.00 0.00 C ATOM 0 H ALA A 41 -11.218 5.091 8.648 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.599 3.469 9.437 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -11.961 1.066 9.403 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.757 1.818 7.802 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.336 1.513 8.830 1.00 0.00 H new ATOM 647 N THR A 42 -11.633 2.208 11.682 1.00 0.00 N ATOM 648 CA THR A 42 -11.257 2.074 13.086 1.00 0.00 C ATOM 649 C THR A 42 -9.870 1.453 13.206 1.00 0.00 C ATOM 650 O THR A 42 -9.307 1.370 14.297 1.00 0.00 O ATOM 651 CB THR A 42 -12.278 1.205 13.826 1.00 0.00 C ATOM 652 OG1 THR A 42 -12.320 -0.084 13.232 1.00 0.00 O ATOM 653 CG2 THR A 42 -13.662 1.852 13.746 1.00 0.00 C ATOM 0 H THR A 42 -12.338 1.543 11.364 1.00 0.00 H new ATOM 0 HA THR A 42 -11.241 3.067 13.536 1.00 0.00 H new ATOM 0 HB THR A 42 -11.985 1.114 14.872 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.972 -0.642 13.706 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.385 1.230 14.274 1.00 0.00 H new ATOM 0 HG22 THR A 42 -13.629 2.840 14.205 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.959 1.947 12.702 1.00 0.00 H new ATOM 661 N VAL A 43 -9.325 1.021 12.074 1.00 0.00 N ATOM 662 CA VAL A 43 -8.007 0.415 12.049 1.00 0.00 C ATOM 663 C VAL A 43 -7.103 1.165 11.074 1.00 0.00 C ATOM 664 O VAL A 43 -7.033 0.829 9.893 1.00 0.00 O ATOM 665 CB VAL A 43 -8.120 -1.046 11.620 1.00 0.00 C ATOM 666 CG1 VAL A 43 -8.535 -1.903 12.816 1.00 0.00 C ATOM 667 CG2 VAL A 43 -9.172 -1.176 10.517 1.00 0.00 C ATOM 0 H VAL A 43 -9.779 1.081 11.163 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.575 0.468 13.048 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.154 -1.386 11.246 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.615 -2.945 12.507 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.787 -1.815 13.604 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -9.500 -1.561 13.191 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.252 -2.219 10.211 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.136 -0.833 10.892 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.878 -0.569 9.661 1.00 0.00 H new ATOM 677 N PRO A 44 -6.424 2.176 11.548 1.00 0.00 N ATOM 678 CA PRO A 44 -5.517 2.997 10.703 1.00 0.00 C ATOM 679 C PRO A 44 -4.318 2.197 10.206 1.00 0.00 C ATOM 680 O PRO A 44 -3.812 1.319 10.904 1.00 0.00 O ATOM 681 CB PRO A 44 -5.061 4.153 11.604 1.00 0.00 C ATOM 682 CG PRO A 44 -5.719 3.971 12.939 1.00 0.00 C ATOM 683 CD PRO A 44 -6.450 2.628 12.942 1.00 0.00 C ATOM 0 HA PRO A 44 -6.029 3.347 9.807 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -3.976 4.153 11.708 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.339 5.112 11.167 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.975 3.999 13.735 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.420 4.784 13.130 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.956 1.912 13.598 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.473 2.737 13.302 1.00 0.00 H new ATOM 691 N ILE A 45 -3.866 2.514 8.997 1.00 0.00 N ATOM 692 CA ILE A 45 -2.722 1.823 8.418 1.00 0.00 C ATOM 693 C ILE A 45 -1.470 2.678 8.552 1.00 0.00 C ATOM 694 O ILE A 45 -1.514 3.891 8.358 1.00 0.00 O ATOM 695 CB ILE A 45 -2.958 1.541 6.936 1.00 0.00 C ATOM 696 CG1 ILE A 45 -4.323 0.873 6.754 1.00 0.00 C ATOM 697 CG2 ILE A 45 -1.852 0.611 6.417 1.00 0.00 C ATOM 698 CD1 ILE A 45 -5.355 1.926 6.344 1.00 0.00 C ATOM 0 H ILE A 45 -4.271 3.239 8.404 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.592 0.883 8.954 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.940 2.476 6.376 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.260 0.094 5.994 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.630 0.389 7.681 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.016 0.406 5.359 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.882 1.091 6.548 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.872 -0.325 6.975 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.327 1.451 6.214 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.424 2.689 7.120 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.049 2.389 5.406 1.00 0.00 H new ATOM 710 N SER A 46 -0.352 2.038 8.866 1.00 0.00 N ATOM 711 CA SER A 46 0.905 2.758 8.999 1.00 0.00 C ATOM 712 C SER A 46 1.722 2.589 7.725 1.00 0.00 C ATOM 713 O SER A 46 2.144 1.482 7.393 1.00 0.00 O ATOM 714 CB SER A 46 1.693 2.222 10.195 1.00 0.00 C ATOM 715 OG SER A 46 2.966 2.855 10.239 1.00 0.00 O ATOM 0 H SER A 46 -0.290 1.033 9.032 1.00 0.00 H new ATOM 0 HA SER A 46 0.697 3.816 9.160 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.147 2.411 11.119 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.813 1.142 10.112 1.00 0.00 H new ATOM 0 HG SER A 46 3.474 2.515 11.005 1.00 0.00 H new ATOM 721 N LEU A 47 1.929 3.687 7.009 1.00 0.00 N ATOM 722 CA LEU A 47 2.683 3.631 5.765 1.00 0.00 C ATOM 723 C LEU A 47 4.119 4.084 5.990 1.00 0.00 C ATOM 724 O LEU A 47 4.368 5.235 6.350 1.00 0.00 O ATOM 725 CB LEU A 47 2.023 4.541 4.721 1.00 0.00 C ATOM 726 CG LEU A 47 2.428 4.132 3.293 1.00 0.00 C ATOM 727 CD1 LEU A 47 2.189 5.311 2.349 1.00 0.00 C ATOM 728 CD2 LEU A 47 3.910 3.748 3.233 1.00 0.00 C ATOM 0 H LEU A 47 1.590 4.615 7.264 1.00 0.00 H new ATOM 0 HA LEU A 47 2.688 2.601 5.408 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.939 4.490 4.823 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.312 5.576 4.902 1.00 0.00 H new ATOM 0 HG LEU A 47 1.828 3.272 2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.474 5.029 1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.134 5.583 2.367 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.789 6.162 2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.171 3.463 2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.519 4.599 3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.096 2.909 3.903 1.00 0.00 H new ATOM 740 N GLN A 48 5.060 3.181 5.751 1.00 0.00 N ATOM 741 CA GLN A 48 6.467 3.499 5.901 1.00 0.00 C ATOM 742 C GLN A 48 7.175 3.361 4.558 1.00 0.00 C ATOM 743 O GLN A 48 6.879 2.458 3.778 1.00 0.00 O ATOM 744 CB GLN A 48 7.107 2.571 6.931 1.00 0.00 C ATOM 745 CG GLN A 48 6.839 3.103 8.339 1.00 0.00 C ATOM 746 CD GLN A 48 7.621 2.287 9.362 1.00 0.00 C ATOM 747 OE1 GLN A 48 8.842 2.420 9.459 1.00 0.00 O ATOM 748 NE2 GLN A 48 6.992 1.450 10.141 1.00 0.00 N ATOM 0 H GLN A 48 4.871 2.224 5.453 1.00 0.00 H new ATOM 0 HA GLN A 48 6.564 4.528 6.248 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.702 1.564 6.829 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.181 2.502 6.756 1.00 0.00 H new ATOM 0 HG2 GLN A 48 7.127 4.152 8.401 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.773 3.052 8.559 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.981 1.340 10.061 1.00 0.00 H new ATOM 0 HE22 GLN A 48 7.511 0.906 10.830 1.00 0.00 H new ATOM 757 N VAL A 49 8.101 4.268 4.293 1.00 0.00 N ATOM 758 CA VAL A 49 8.840 4.250 3.034 1.00 0.00 C ATOM 759 C VAL A 49 10.222 3.649 3.226 1.00 0.00 C ATOM 760 O VAL A 49 10.916 3.959 4.193 1.00 0.00 O ATOM 761 CB VAL A 49 8.996 5.669 2.488 1.00 0.00 C ATOM 762 CG1 VAL A 49 9.508 5.605 1.048 1.00 0.00 C ATOM 763 CG2 VAL A 49 7.644 6.385 2.529 1.00 0.00 C ATOM 0 H VAL A 49 8.360 5.024 4.927 1.00 0.00 H new ATOM 0 HA VAL A 49 8.275 3.641 2.328 1.00 0.00 H new ATOM 0 HB VAL A 49 9.710 6.220 3.100 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.620 6.616 0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.473 5.099 1.027 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.796 5.054 0.433 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.756 7.397 2.139 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.924 5.839 1.919 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.287 6.430 3.558 1.00 0.00 H new ATOM 773 N ILE A 50 10.627 2.805 2.288 1.00 0.00 N ATOM 774 CA ILE A 50 11.938 2.194 2.363 1.00 0.00 C ATOM 775 C ILE A 50 12.756 2.617 1.155 1.00 0.00 C ATOM 776 O ILE A 50 12.373 2.356 0.015 1.00 0.00 O ATOM 777 CB ILE A 50 11.803 0.674 2.384 1.00 0.00 C ATOM 778 CG1 ILE A 50 10.775 0.278 3.448 1.00 0.00 C ATOM 779 CG2 ILE A 50 13.159 0.052 2.721 1.00 0.00 C ATOM 780 CD1 ILE A 50 10.724 -1.246 3.581 1.00 0.00 C ATOM 0 H ILE A 50 10.072 2.533 1.477 1.00 0.00 H new ATOM 0 HA ILE A 50 12.437 2.518 3.276 1.00 0.00 H new ATOM 0 HB ILE A 50 11.474 0.316 1.408 1.00 0.00 H new ATOM 0 HG12 ILE A 50 11.039 0.727 4.406 1.00 0.00 H new ATOM 0 HG13 ILE A 50 9.791 0.661 3.176 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.067 -1.034 2.737 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.890 0.343 1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.487 0.403 3.699 1.00 0.00 H new ATOM 0 HD11 ILE A 50 9.991 -1.521 4.339 1.00 0.00 H new ATOM 0 HD12 ILE A 50 10.439 -1.685 2.625 1.00 0.00 H new ATOM 0 HD13 ILE A 50 11.706 -1.619 3.873 1.00 0.00 H new ATOM 792 N ASN A 51 13.881 3.271 1.403 1.00 0.00 N ATOM 793 CA ASN A 51 14.728 3.716 0.314 1.00 0.00 C ATOM 794 C ASN A 51 15.638 2.578 -0.130 1.00 0.00 C ATOM 795 O ASN A 51 16.538 2.168 0.603 1.00 0.00 O ATOM 796 CB ASN A 51 15.567 4.914 0.759 1.00 0.00 C ATOM 797 CG ASN A 51 14.721 6.181 0.732 1.00 0.00 C ATOM 798 OD1 ASN A 51 14.178 6.567 -0.391 1.00 0.00 O flip ATOM 799 ND2 ASN A 51 14.553 6.840 1.759 1.00 0.00 N flip ATOM 0 H ASN A 51 14.223 3.501 2.336 1.00 0.00 H new ATOM 0 HA ASN A 51 14.100 4.018 -0.525 1.00 0.00 H new ATOM 0 HB2 ASN A 51 15.952 4.745 1.765 1.00 0.00 H new ATOM 0 HB3 ASN A 51 16.429 5.029 0.102 1.00 0.00 H new ATOM 0 HD21 ASN A 51 14.978 6.536 2.635 1.00 0.00 H new ATOM 0 HD22 ASN A 51 13.989 7.689 1.733 1.00 0.00 H new ATOM 806 N VAL A 52 15.386 2.059 -1.327 1.00 0.00 N ATOM 807 CA VAL A 52 16.175 0.952 -1.854 1.00 0.00 C ATOM 808 C VAL A 52 17.659 1.301 -1.892 1.00 0.00 C ATOM 809 O VAL A 52 18.513 0.431 -1.728 1.00 0.00 O ATOM 810 CB VAL A 52 15.698 0.589 -3.261 1.00 0.00 C ATOM 811 CG1 VAL A 52 14.294 -0.012 -3.183 1.00 0.00 C ATOM 812 CG2 VAL A 52 15.663 1.849 -4.132 1.00 0.00 C ATOM 0 H VAL A 52 14.645 2.385 -1.948 1.00 0.00 H new ATOM 0 HA VAL A 52 16.038 0.098 -1.190 1.00 0.00 H new ATOM 0 HB VAL A 52 16.383 -0.137 -3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.953 -0.271 -4.185 1.00 0.00 H new ATOM 0 HG12 VAL A 52 14.316 -0.909 -2.564 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.611 0.715 -2.744 1.00 0.00 H new ATOM 0 HG21 VAL A 52 15.323 1.589 -5.134 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.979 2.575 -3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 52 16.662 2.280 -4.188 1.00 0.00 H new ATOM 822 N ALA A 53 17.960 2.576 -2.107 1.00 0.00 N ATOM 823 CA ALA A 53 19.343 3.021 -2.165 1.00 0.00 C ATOM 824 C ALA A 53 19.972 3.001 -0.779 1.00 0.00 C ATOM 825 O ALA A 53 21.196 2.976 -0.646 1.00 0.00 O ATOM 826 CB ALA A 53 19.411 4.438 -2.737 1.00 0.00 C ATOM 0 H ALA A 53 17.269 3.314 -2.243 1.00 0.00 H new ATOM 0 HA ALA A 53 19.896 2.340 -2.812 1.00 0.00 H new ATOM 0 HB1 ALA A 53 20.450 4.765 -2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.989 4.445 -3.742 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.842 5.115 -2.100 1.00 0.00 H new ATOM 832 N ASP A 54 19.134 3.029 0.253 1.00 0.00 N ATOM 833 CA ASP A 54 19.635 3.029 1.618 1.00 0.00 C ATOM 834 C ASP A 54 19.682 1.617 2.200 1.00 0.00 C ATOM 835 O ASP A 54 20.405 1.366 3.164 1.00 0.00 O ATOM 836 CB ASP A 54 18.752 3.916 2.498 1.00 0.00 C ATOM 837 CG ASP A 54 18.820 5.362 2.014 1.00 0.00 C ATOM 838 OD1 ASP A 54 19.908 5.804 1.682 1.00 0.00 O ATOM 839 OD2 ASP A 54 17.784 6.007 1.988 1.00 0.00 O ATOM 0 H ASP A 54 18.118 3.052 0.170 1.00 0.00 H new ATOM 0 HA ASP A 54 20.652 3.422 1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 54 17.722 3.562 2.468 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.080 3.855 3.536 1.00 0.00 H new ATOM 844 N GLN A 55 18.904 0.703 1.631 1.00 0.00 N ATOM 845 CA GLN A 55 18.881 -0.662 2.144 1.00 0.00 C ATOM 846 C GLN A 55 18.443 -1.665 1.078 1.00 0.00 C ATOM 847 O GLN A 55 17.301 -2.124 1.073 1.00 0.00 O ATOM 848 CB GLN A 55 17.929 -0.733 3.336 1.00 0.00 C ATOM 849 CG GLN A 55 16.522 -0.328 2.892 1.00 0.00 C ATOM 850 CD GLN A 55 15.890 0.584 3.939 1.00 0.00 C ATOM 851 OE1 GLN A 55 15.779 0.206 5.104 1.00 0.00 O ATOM 852 NE2 GLN A 55 15.466 1.769 3.592 1.00 0.00 N ATOM 0 H GLN A 55 18.294 0.876 0.832 1.00 0.00 H new ATOM 0 HA GLN A 55 19.894 -0.926 2.449 1.00 0.00 H new ATOM 0 HB2 GLN A 55 17.916 -1.743 3.744 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.275 -0.072 4.131 1.00 0.00 H new ATOM 0 HG2 GLN A 55 16.568 0.184 1.931 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.906 -1.216 2.751 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.559 2.081 2.625 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.042 2.383 4.288 1.00 0.00 H new ATOM 861 N PRO A 56 19.338 -2.021 0.196 1.00 0.00 N ATOM 862 CA PRO A 56 19.070 -3.004 -0.890 1.00 0.00 C ATOM 863 C PRO A 56 19.038 -4.440 -0.368 1.00 0.00 C ATOM 864 O PRO A 56 18.718 -5.376 -1.105 1.00 0.00 O ATOM 865 CB PRO A 56 20.234 -2.819 -1.874 1.00 0.00 C ATOM 866 CG PRO A 56 21.113 -1.739 -1.317 1.00 0.00 C ATOM 867 CD PRO A 56 20.711 -1.520 0.140 1.00 0.00 C ATOM 0 HA PRO A 56 18.095 -2.835 -1.347 1.00 0.00 H new ATOM 0 HB2 PRO A 56 20.792 -3.748 -1.990 1.00 0.00 H new ATOM 0 HB3 PRO A 56 19.864 -2.544 -2.862 1.00 0.00 H new ATOM 0 HG2 PRO A 56 22.162 -2.026 -1.385 1.00 0.00 H new ATOM 0 HG3 PRO A 56 20.997 -0.818 -1.889 1.00 0.00 H new ATOM 0 HD2 PRO A 56 21.364 -2.064 0.822 1.00 0.00 H new ATOM 0 HD3 PRO A 56 20.765 -0.467 0.417 1.00 0.00 H new ATOM 875 N GLN A 57 19.398 -4.604 0.898 1.00 0.00 N ATOM 876 CA GLN A 57 19.447 -5.928 1.511 1.00 0.00 C ATOM 877 C GLN A 57 18.059 -6.530 1.709 1.00 0.00 C ATOM 878 O GLN A 57 17.820 -7.674 1.323 1.00 0.00 O ATOM 879 CB GLN A 57 20.145 -5.829 2.870 1.00 0.00 C ATOM 880 CG GLN A 57 20.058 -7.173 3.594 1.00 0.00 C ATOM 881 CD GLN A 57 20.759 -7.084 4.945 1.00 0.00 C ATOM 882 OE1 GLN A 57 21.476 -6.121 5.212 1.00 0.00 O ATOM 883 NE2 GLN A 57 20.586 -8.036 5.822 1.00 0.00 N ATOM 0 H GLN A 57 19.660 -3.840 1.521 1.00 0.00 H new ATOM 0 HA GLN A 57 19.999 -6.581 0.835 1.00 0.00 H new ATOM 0 HB2 GLN A 57 21.189 -5.545 2.734 1.00 0.00 H new ATOM 0 HB3 GLN A 57 19.679 -5.050 3.473 1.00 0.00 H new ATOM 0 HG2 GLN A 57 19.014 -7.453 3.735 1.00 0.00 H new ATOM 0 HG3 GLN A 57 20.518 -7.953 2.987 1.00 0.00 H new ATOM 0 HE21 GLN A 57 19.991 -8.834 5.598 1.00 0.00 H new ATOM 0 HE22 GLN A 57 21.046 -7.982 6.731 1.00 0.00 H new ATOM 892 N LEU A 58 17.147 -5.779 2.315 1.00 0.00 N ATOM 893 CA LEU A 58 15.810 -6.298 2.544 1.00 0.00 C ATOM 894 C LEU A 58 15.010 -6.307 1.243 1.00 0.00 C ATOM 895 O LEU A 58 14.069 -7.085 1.093 1.00 0.00 O ATOM 896 CB LEU A 58 15.081 -5.517 3.651 1.00 0.00 C ATOM 897 CG LEU A 58 15.273 -4.007 3.492 1.00 0.00 C ATOM 898 CD1 LEU A 58 14.197 -3.464 2.568 1.00 0.00 C ATOM 899 CD2 LEU A 58 15.152 -3.336 4.862 1.00 0.00 C ATOM 0 H LEU A 58 17.306 -4.829 2.650 1.00 0.00 H new ATOM 0 HA LEU A 58 15.902 -7.327 2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.017 -5.754 3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 58 15.454 -5.832 4.626 1.00 0.00 H new ATOM 0 HG LEU A 58 16.257 -3.802 3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 58 14.328 -2.388 2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 58 14.275 -3.948 1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 58 13.215 -3.666 2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 58 15.288 -2.260 4.753 1.00 0.00 H new ATOM 0 HD22 LEU A 58 14.165 -3.537 5.280 1.00 0.00 H new ATOM 0 HD23 LEU A 58 15.916 -3.733 5.530 1.00 0.00 H new ATOM 911 N VAL A 59 15.404 -5.459 0.290 1.00 0.00 N ATOM 912 CA VAL A 59 14.719 -5.417 -0.999 1.00 0.00 C ATOM 913 C VAL A 59 14.866 -6.771 -1.683 1.00 0.00 C ATOM 914 O VAL A 59 13.892 -7.349 -2.163 1.00 0.00 O ATOM 915 CB VAL A 59 15.332 -4.333 -1.890 1.00 0.00 C ATOM 916 CG1 VAL A 59 14.487 -4.177 -3.154 1.00 0.00 C ATOM 917 CG2 VAL A 59 15.369 -3.003 -1.137 1.00 0.00 C ATOM 0 H VAL A 59 16.180 -4.804 0.385 1.00 0.00 H new ATOM 0 HA VAL A 59 13.665 -5.189 -0.838 1.00 0.00 H new ATOM 0 HB VAL A 59 16.348 -4.622 -2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 59 14.922 -3.406 -3.790 1.00 0.00 H new ATOM 0 HG12 VAL A 59 14.464 -5.123 -3.695 1.00 0.00 H new ATOM 0 HG13 VAL A 59 13.472 -3.891 -2.880 1.00 0.00 H new ATOM 0 HG21 VAL A 59 15.806 -2.235 -1.776 1.00 0.00 H new ATOM 0 HG22 VAL A 59 14.355 -2.712 -0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 59 15.972 -3.112 -0.236 1.00 0.00 H new ATOM 927 N GLU A 60 16.093 -7.283 -1.701 1.00 0.00 N ATOM 928 CA GLU A 60 16.352 -8.585 -2.303 1.00 0.00 C ATOM 929 C GLU A 60 15.730 -9.683 -1.446 1.00 0.00 C ATOM 930 O GLU A 60 15.253 -10.693 -1.962 1.00 0.00 O ATOM 931 CB GLU A 60 17.859 -8.817 -2.432 1.00 0.00 C ATOM 932 CG GLU A 60 18.456 -7.787 -3.396 1.00 0.00 C ATOM 933 CD GLU A 60 19.943 -8.063 -3.599 1.00 0.00 C ATOM 934 OE1 GLU A 60 20.470 -8.911 -2.899 1.00 0.00 O ATOM 935 OE2 GLU A 60 20.533 -7.420 -4.452 1.00 0.00 O ATOM 0 H GLU A 60 16.915 -6.822 -1.310 1.00 0.00 H new ATOM 0 HA GLU A 60 15.906 -8.609 -3.297 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.335 -8.734 -1.455 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.052 -9.826 -2.796 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.936 -7.828 -4.353 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.315 -6.781 -3.000 1.00 0.00 H new ATOM 942 N TYR A 61 15.727 -9.469 -0.131 1.00 0.00 N ATOM 943 CA TYR A 61 15.147 -10.441 0.787 1.00 0.00 C ATOM 944 C TYR A 61 13.704 -10.717 0.394 1.00 0.00 C ATOM 945 O TYR A 61 13.252 -11.862 0.396 1.00 0.00 O ATOM 946 CB TYR A 61 15.201 -9.907 2.220 1.00 0.00 C ATOM 947 CG TYR A 61 14.623 -10.932 3.167 1.00 0.00 C ATOM 948 CD1 TYR A 61 15.422 -11.980 3.640 1.00 0.00 C ATOM 949 CD2 TYR A 61 13.287 -10.833 3.571 1.00 0.00 C ATOM 950 CE1 TYR A 61 14.883 -12.929 4.520 1.00 0.00 C ATOM 951 CE2 TYR A 61 12.748 -11.781 4.451 1.00 0.00 C ATOM 952 CZ TYR A 61 13.547 -12.828 4.925 1.00 0.00 C ATOM 953 OH TYR A 61 13.018 -13.762 5.792 1.00 0.00 O ATOM 0 H TYR A 61 16.116 -8.639 0.317 1.00 0.00 H new ATOM 0 HA TYR A 61 15.719 -11.367 0.734 1.00 0.00 H new ATOM 0 HB2 TYR A 61 16.231 -9.683 2.496 1.00 0.00 H new ATOM 0 HB3 TYR A 61 14.641 -8.974 2.292 1.00 0.00 H new ATOM 0 HD1 TYR A 61 16.453 -12.057 3.327 1.00 0.00 H new ATOM 0 HD2 TYR A 61 12.671 -10.025 3.204 1.00 0.00 H new ATOM 0 HE1 TYR A 61 15.498 -13.738 4.885 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.717 -11.704 4.763 1.00 0.00 H new ATOM 0 HH TYR A 61 12.079 -13.546 5.973 1.00 0.00 H new ATOM 963 N TYR A 62 12.996 -9.655 0.036 1.00 0.00 N ATOM 964 CA TYR A 62 11.613 -9.771 -0.386 1.00 0.00 C ATOM 965 C TYR A 62 11.564 -10.109 -1.866 1.00 0.00 C ATOM 966 O TYR A 62 10.532 -9.948 -2.519 1.00 0.00 O ATOM 967 CB TYR A 62 10.893 -8.447 -0.148 1.00 0.00 C ATOM 968 CG TYR A 62 10.804 -8.169 1.330 1.00 0.00 C ATOM 969 CD1 TYR A 62 10.123 -9.056 2.172 1.00 0.00 C ATOM 970 CD2 TYR A 62 11.401 -7.020 1.857 1.00 0.00 C ATOM 971 CE1 TYR A 62 10.040 -8.792 3.544 1.00 0.00 C ATOM 972 CE2 TYR A 62 11.319 -6.754 3.227 1.00 0.00 C ATOM 973 CZ TYR A 62 10.638 -7.641 4.072 1.00 0.00 C ATOM 974 OH TYR A 62 10.559 -7.381 5.426 1.00 0.00 O ATOM 0 H TYR A 62 13.360 -8.702 0.030 1.00 0.00 H new ATOM 0 HA TYR A 62 11.125 -10.559 0.187 1.00 0.00 H new ATOM 0 HB2 TYR A 62 11.427 -7.638 -0.647 1.00 0.00 H new ATOM 0 HB3 TYR A 62 9.893 -8.484 -0.581 1.00 0.00 H new ATOM 0 HD1 TYR A 62 9.662 -9.943 1.763 1.00 0.00 H new ATOM 0 HD2 TYR A 62 11.926 -6.337 1.205 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.515 -9.475 4.195 1.00 0.00 H new ATOM 0 HE2 TYR A 62 11.780 -5.866 3.634 1.00 0.00 H new ATOM 0 HH TYR A 62 11.027 -6.544 5.626 1.00 0.00 H new ATOM 984 N ARG A 63 12.699 -10.547 -2.400 1.00 0.00 N ATOM 985 CA ARG A 63 12.781 -10.869 -3.814 1.00 0.00 C ATOM 986 C ARG A 63 12.394 -9.637 -4.613 1.00 0.00 C ATOM 987 O ARG A 63 12.299 -9.670 -5.840 1.00 0.00 O ATOM 988 CB ARG A 63 11.841 -12.026 -4.154 1.00 0.00 C ATOM 989 CG ARG A 63 12.271 -13.292 -3.405 1.00 0.00 C ATOM 990 CD ARG A 63 13.532 -13.877 -4.049 1.00 0.00 C ATOM 991 NE ARG A 63 13.821 -15.188 -3.479 1.00 0.00 N ATOM 992 CZ ARG A 63 14.038 -16.242 -4.258 1.00 0.00 C ATOM 993 NH1 ARG A 63 13.395 -16.365 -5.385 1.00 0.00 N ATOM 994 NH2 ARG A 63 14.895 -17.155 -3.891 1.00 0.00 N ATOM 0 H ARG A 63 13.565 -10.685 -1.879 1.00 0.00 H new ATOM 0 HA ARG A 63 13.798 -11.172 -4.061 1.00 0.00 H new ATOM 0 HB2 ARG A 63 10.818 -11.765 -3.884 1.00 0.00 H new ATOM 0 HB3 ARG A 63 11.851 -12.209 -5.229 1.00 0.00 H new ATOM 0 HG2 ARG A 63 12.462 -13.058 -2.358 1.00 0.00 H new ATOM 0 HG3 ARG A 63 11.467 -14.028 -3.426 1.00 0.00 H new ATOM 0 HD2 ARG A 63 13.394 -13.962 -5.127 1.00 0.00 H new ATOM 0 HD3 ARG A 63 14.377 -13.207 -3.888 1.00 0.00 H new ATOM 0 HE ARG A 63 13.857 -15.297 -2.466 1.00 0.00 H new ATOM 0 HH11 ARG A 63 12.724 -15.651 -5.670 1.00 0.00 H new ATOM 0 HH12 ARG A 63 13.563 -17.175 -5.982 1.00 0.00 H new ATOM 0 HH21 ARG A 63 15.396 -17.058 -3.008 1.00 0.00 H new ATOM 0 HH22 ARG A 63 15.064 -17.965 -4.487 1.00 0.00 H new ATOM 1008 N LEU A 64 12.182 -8.546 -3.886 1.00 0.00 N ATOM 1009 CA LEU A 64 11.811 -7.277 -4.489 1.00 0.00 C ATOM 1010 C LEU A 64 12.933 -6.807 -5.413 1.00 0.00 C ATOM 1011 O LEU A 64 14.100 -6.785 -5.023 1.00 0.00 O ATOM 1012 CB LEU A 64 11.572 -6.257 -3.369 1.00 0.00 C ATOM 1013 CG LEU A 64 10.713 -5.095 -3.858 1.00 0.00 C ATOM 1014 CD1 LEU A 64 11.456 -4.336 -4.950 1.00 0.00 C ATOM 1015 CD2 LEU A 64 9.386 -5.626 -4.402 1.00 0.00 C ATOM 0 H LEU A 64 12.262 -8.518 -2.870 1.00 0.00 H new ATOM 0 HA LEU A 64 10.901 -7.386 -5.079 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.083 -6.746 -2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.528 -5.879 -3.007 1.00 0.00 H new ATOM 0 HG LEU A 64 10.511 -4.420 -3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.842 -3.506 -5.299 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.394 -3.950 -4.551 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.665 -5.008 -5.783 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.776 -4.793 -4.750 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.579 -6.306 -5.232 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.856 -6.159 -3.612 1.00 0.00 H new ATOM 1027 N VAL A 65 12.581 -6.463 -6.644 1.00 0.00 N ATOM 1028 CA VAL A 65 13.577 -6.023 -7.619 1.00 0.00 C ATOM 1029 C VAL A 65 13.043 -4.888 -8.493 1.00 0.00 C ATOM 1030 O VAL A 65 13.806 -4.236 -9.205 1.00 0.00 O ATOM 1031 CB VAL A 65 13.980 -7.196 -8.514 1.00 0.00 C ATOM 1032 CG1 VAL A 65 15.485 -7.150 -8.776 1.00 0.00 C ATOM 1033 CG2 VAL A 65 13.625 -8.514 -7.821 1.00 0.00 C ATOM 0 H VAL A 65 11.622 -6.479 -6.992 1.00 0.00 H new ATOM 0 HA VAL A 65 14.442 -5.656 -7.067 1.00 0.00 H new ATOM 0 HB VAL A 65 13.445 -7.126 -9.461 1.00 0.00 H new ATOM 0 HG11 VAL A 65 15.769 -7.987 -9.414 1.00 0.00 H new ATOM 0 HG12 VAL A 65 15.740 -6.213 -9.272 1.00 0.00 H new ATOM 0 HG13 VAL A 65 16.021 -7.217 -7.829 1.00 0.00 H new ATOM 0 HG21 VAL A 65 13.912 -9.350 -8.459 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.158 -8.582 -6.873 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.551 -8.551 -7.637 1.00 0.00 H new ATOM 1043 N VAL A 66 11.736 -4.657 -8.441 1.00 0.00 N ATOM 1044 CA VAL A 66 11.133 -3.603 -9.236 1.00 0.00 C ATOM 1045 C VAL A 66 10.704 -2.446 -8.349 1.00 0.00 C ATOM 1046 O VAL A 66 10.199 -2.650 -7.245 1.00 0.00 O ATOM 1047 CB VAL A 66 9.911 -4.145 -9.970 1.00 0.00 C ATOM 1048 CG1 VAL A 66 10.351 -5.061 -11.113 1.00 0.00 C ATOM 1049 CG2 VAL A 66 9.042 -4.929 -8.989 1.00 0.00 C ATOM 0 H VAL A 66 11.082 -5.182 -7.861 1.00 0.00 H new ATOM 0 HA VAL A 66 11.872 -3.249 -9.955 1.00 0.00 H new ATOM 0 HB VAL A 66 9.340 -3.314 -10.383 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.472 -5.444 -11.632 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.969 -4.498 -11.813 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.926 -5.895 -10.710 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.167 -5.319 -9.509 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.617 -5.758 -8.575 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.721 -4.271 -8.181 1.00 0.00 H new ATOM 1059 N THR A 67 10.891 -1.232 -8.844 1.00 0.00 N ATOM 1060 CA THR A 67 10.501 -0.054 -8.087 1.00 0.00 C ATOM 1061 C THR A 67 9.758 0.925 -8.997 1.00 0.00 C ATOM 1062 O THR A 67 10.049 1.013 -10.189 1.00 0.00 O ATOM 1063 CB THR A 67 11.734 0.623 -7.480 1.00 0.00 C ATOM 1064 OG1 THR A 67 12.691 0.866 -8.502 1.00 0.00 O ATOM 1065 CG2 THR A 67 12.344 -0.291 -6.414 1.00 0.00 C ATOM 0 H THR A 67 11.305 -1.038 -9.756 1.00 0.00 H new ATOM 0 HA THR A 67 9.840 -0.360 -7.276 1.00 0.00 H new ATOM 0 HB THR A 67 11.443 1.569 -7.023 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.480 1.301 -8.115 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.221 0.190 -5.981 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.609 -0.477 -5.631 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.636 -1.237 -6.870 1.00 0.00 H new ATOM 1073 N PRO A 68 8.803 1.642 -8.468 1.00 0.00 N ATOM 1074 CA PRO A 68 8.420 1.568 -7.034 1.00 0.00 C ATOM 1075 C PRO A 68 7.604 0.317 -6.740 1.00 0.00 C ATOM 1076 O PRO A 68 7.028 -0.289 -7.644 1.00 0.00 O ATOM 1077 CB PRO A 68 7.581 2.833 -6.792 1.00 0.00 C ATOM 1078 CG PRO A 68 7.526 3.570 -8.096 1.00 0.00 C ATOM 1079 CD PRO A 68 7.973 2.602 -9.188 1.00 0.00 C ATOM 0 HA PRO A 68 9.293 1.514 -6.383 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.579 2.573 -6.452 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.030 3.453 -6.016 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.515 3.929 -8.292 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.175 4.445 -8.070 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.123 2.118 -9.669 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.535 3.111 -9.971 1.00 0.00 H new ATOM 1087 N ALA A 69 7.562 -0.066 -5.475 1.00 0.00 N ATOM 1088 CA ALA A 69 6.816 -1.248 -5.078 1.00 0.00 C ATOM 1089 C ALA A 69 6.288 -1.082 -3.659 1.00 0.00 C ATOM 1090 O ALA A 69 6.943 -0.477 -2.810 1.00 0.00 O ATOM 1091 CB ALA A 69 7.723 -2.479 -5.141 1.00 0.00 C ATOM 0 H ALA A 69 8.032 0.420 -4.711 1.00 0.00 H new ATOM 0 HA ALA A 69 5.976 -1.379 -5.761 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.159 -3.362 -4.842 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.089 -2.609 -6.159 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.568 -2.343 -4.466 1.00 0.00 H new ATOM 1097 N LEU A 70 5.104 -1.624 -3.401 1.00 0.00 N ATOM 1098 CA LEU A 70 4.508 -1.528 -2.077 1.00 0.00 C ATOM 1099 C LEU A 70 4.323 -2.921 -1.490 1.00 0.00 C ATOM 1100 O LEU A 70 3.827 -3.822 -2.165 1.00 0.00 O ATOM 1101 CB LEU A 70 3.168 -0.795 -2.159 1.00 0.00 C ATOM 1102 CG LEU A 70 2.760 -0.324 -0.766 1.00 0.00 C ATOM 1103 CD1 LEU A 70 1.633 0.706 -0.883 1.00 0.00 C ATOM 1104 CD2 LEU A 70 2.280 -1.519 0.055 1.00 0.00 C ATOM 0 H LEU A 70 4.543 -2.130 -4.086 1.00 0.00 H new ATOM 0 HA LEU A 70 5.172 -0.962 -1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.248 0.057 -2.834 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.404 -1.456 -2.569 1.00 0.00 H new ATOM 0 HG LEU A 70 3.617 0.134 -0.272 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.342 1.042 0.112 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.979 1.559 -1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.775 0.252 -1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.988 -1.183 1.050 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.424 -1.979 -0.438 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.085 -2.249 0.140 1.00 0.00 H new ATOM 1116 N VAL A 71 4.750 -3.110 -0.243 1.00 0.00 N ATOM 1117 CA VAL A 71 4.642 -4.423 0.381 1.00 0.00 C ATOM 1118 C VAL A 71 3.878 -4.390 1.700 1.00 0.00 C ATOM 1119 O VAL A 71 4.204 -3.623 2.606 1.00 0.00 O ATOM 1120 CB VAL A 71 6.044 -4.987 0.623 1.00 0.00 C ATOM 1121 CG1 VAL A 71 5.933 -6.395 1.211 1.00 0.00 C ATOM 1122 CG2 VAL A 71 6.812 -5.049 -0.703 1.00 0.00 C ATOM 0 H VAL A 71 5.165 -2.386 0.343 1.00 0.00 H new ATOM 0 HA VAL A 71 4.080 -5.059 -0.303 1.00 0.00 H new ATOM 0 HB VAL A 71 6.577 -4.340 1.320 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.931 -6.797 1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.391 -6.353 2.155 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.398 -7.039 0.514 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.810 -5.451 -0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.279 -5.693 -1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.894 -4.047 -1.123 1.00 0.00 H new ATOM 1132 N LYS A 72 2.881 -5.268 1.806 1.00 0.00 N ATOM 1133 CA LYS A 72 2.088 -5.390 3.023 1.00 0.00 C ATOM 1134 C LYS A 72 2.684 -6.484 3.898 1.00 0.00 C ATOM 1135 O LYS A 72 2.965 -7.580 3.416 1.00 0.00 O ATOM 1136 CB LYS A 72 0.641 -5.753 2.686 1.00 0.00 C ATOM 1137 CG LYS A 72 -0.212 -5.645 3.950 1.00 0.00 C ATOM 1138 CD LYS A 72 -1.299 -6.719 3.920 1.00 0.00 C ATOM 1139 CE LYS A 72 -2.421 -6.347 4.892 1.00 0.00 C ATOM 1140 NZ LYS A 72 -2.020 -6.721 6.277 1.00 0.00 N ATOM 0 H LYS A 72 2.605 -5.906 1.060 1.00 0.00 H new ATOM 0 HA LYS A 72 2.100 -4.435 3.549 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.256 -5.085 1.915 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.591 -6.765 2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.412 -5.768 4.835 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.664 -4.655 4.014 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.698 -6.818 2.910 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.876 -7.686 4.192 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.625 -5.278 4.837 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.341 -6.862 4.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.383 -6.013 6.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -2.414 -7.654 6.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.983 -6.758 6.340 1.00 0.00 H new ATOM 1154 N ILE A 73 2.888 -6.195 5.176 1.00 0.00 N ATOM 1155 CA ILE A 73 3.464 -7.196 6.068 1.00 0.00 C ATOM 1156 C ILE A 73 2.407 -7.800 6.988 1.00 0.00 C ATOM 1157 O ILE A 73 2.590 -8.903 7.502 1.00 0.00 O ATOM 1158 CB ILE A 73 4.587 -6.575 6.895 1.00 0.00 C ATOM 1159 CG1 ILE A 73 4.304 -5.087 7.088 1.00 0.00 C ATOM 1160 CG2 ILE A 73 5.920 -6.753 6.165 1.00 0.00 C ATOM 1161 CD1 ILE A 73 4.850 -4.295 5.897 1.00 0.00 C ATOM 0 H ILE A 73 2.670 -5.299 5.612 1.00 0.00 H new ATOM 0 HA ILE A 73 3.870 -7.999 5.453 1.00 0.00 H new ATOM 0 HB ILE A 73 4.641 -7.066 7.866 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.231 -4.921 7.185 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.765 -4.737 8.011 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.721 -6.309 6.756 1.00 0.00 H new ATOM 0 HG22 ILE A 73 6.119 -7.815 6.024 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.871 -6.261 5.193 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.645 -3.234 6.041 1.00 0.00 H new ATOM 0 HD12 ILE A 73 5.926 -4.449 5.820 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.368 -4.637 4.981 1.00 0.00 H new ATOM 1173 N GLY A 74 1.298 -7.092 7.192 1.00 0.00 N ATOM 1174 CA GLY A 74 0.241 -7.616 8.050 1.00 0.00 C ATOM 1175 C GLY A 74 -0.481 -6.503 8.801 1.00 0.00 C ATOM 1176 O GLY A 74 -0.246 -5.320 8.555 1.00 0.00 O ATOM 0 H GLY A 74 1.111 -6.176 6.785 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.476 -8.171 7.446 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.668 -8.319 8.765 1.00 0.00 H new ATOM 1180 N PRO A 75 -1.356 -6.864 9.705 1.00 0.00 N ATOM 1181 CA PRO A 75 -1.653 -8.291 10.014 1.00 0.00 C ATOM 1182 C PRO A 75 -2.239 -9.029 8.815 1.00 0.00 C ATOM 1183 O PRO A 75 -2.812 -8.416 7.914 1.00 0.00 O ATOM 1184 CB PRO A 75 -2.658 -8.255 11.170 1.00 0.00 C ATOM 1185 CG PRO A 75 -2.914 -6.818 11.508 1.00 0.00 C ATOM 1186 CD PRO A 75 -2.147 -5.937 10.520 1.00 0.00 C ATOM 0 HA PRO A 75 -0.742 -8.830 10.273 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.586 -8.752 10.886 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -2.264 -8.787 12.036 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.981 -6.602 11.457 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.595 -6.607 12.529 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.830 -5.354 9.901 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -1.505 -5.227 11.042 1.00 0.00 H new ATOM 1194 N GLY A 76 -2.081 -10.348 8.809 1.00 0.00 N ATOM 1195 CA GLY A 76 -2.586 -11.165 7.713 1.00 0.00 C ATOM 1196 C GLY A 76 -1.442 -11.628 6.814 1.00 0.00 C ATOM 1197 O GLY A 76 -0.274 -11.380 7.108 1.00 0.00 O ATOM 0 H GLY A 76 -1.610 -10.872 9.547 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.115 -12.031 8.112 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.306 -10.593 7.128 1.00 0.00 H new ATOM 1201 N SER A 77 -1.783 -12.304 5.722 1.00 0.00 N ATOM 1202 CA SER A 77 -0.768 -12.798 4.798 1.00 0.00 C ATOM 1203 C SER A 77 0.058 -11.654 4.225 1.00 0.00 C ATOM 1204 O SER A 77 -0.382 -10.506 4.192 1.00 0.00 O ATOM 1205 CB SER A 77 -1.421 -13.570 3.655 1.00 0.00 C ATOM 1206 OG SER A 77 -0.525 -13.624 2.554 1.00 0.00 O ATOM 0 H SER A 77 -2.744 -12.521 5.457 1.00 0.00 H new ATOM 0 HA SER A 77 -0.108 -13.461 5.357 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.676 -14.578 3.981 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.351 -13.086 3.358 1.00 0.00 H new ATOM 0 HG SER A 77 -0.940 -14.121 1.818 1.00 0.00 H new ATOM 1212 N ARG A 78 1.258 -11.988 3.770 1.00 0.00 N ATOM 1213 CA ARG A 78 2.154 -10.994 3.190 1.00 0.00 C ATOM 1214 C ARG A 78 1.927 -10.886 1.687 1.00 0.00 C ATOM 1215 O ARG A 78 1.746 -11.892 1.002 1.00 0.00 O ATOM 1216 CB ARG A 78 3.607 -11.380 3.472 1.00 0.00 C ATOM 1217 CG ARG A 78 4.545 -10.373 2.803 1.00 0.00 C ATOM 1218 CD ARG A 78 5.950 -10.525 3.387 1.00 0.00 C ATOM 1219 NE ARG A 78 6.389 -11.912 3.291 1.00 0.00 N ATOM 1220 CZ ARG A 78 6.428 -12.692 4.365 1.00 0.00 C ATOM 1221 NH1 ARG A 78 7.213 -12.389 5.363 1.00 0.00 N ATOM 1222 NH2 ARG A 78 5.681 -13.760 4.425 1.00 0.00 N ATOM 0 H ARG A 78 1.634 -12.936 3.791 1.00 0.00 H new ATOM 0 HA ARG A 78 1.945 -10.025 3.644 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.786 -11.401 4.547 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.807 -12.384 3.096 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.567 -10.539 1.726 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.181 -9.358 2.962 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.646 -9.878 2.852 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.955 -10.206 4.429 1.00 0.00 H new ATOM 0 HE ARG A 78 6.670 -12.289 2.386 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.796 -11.553 5.318 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.243 -12.988 6.188 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.066 -13.997 3.646 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.712 -14.358 5.251 1.00 0.00 H new ATOM 1236 N GLN A 79 1.932 -9.657 1.180 1.00 0.00 N ATOM 1237 CA GLN A 79 1.719 -9.430 -0.245 1.00 0.00 C ATOM 1238 C GLN A 79 2.629 -8.317 -0.750 1.00 0.00 C ATOM 1239 O GLN A 79 3.071 -7.468 0.024 1.00 0.00 O ATOM 1240 CB GLN A 79 0.260 -9.050 -0.497 1.00 0.00 C ATOM 1241 CG GLN A 79 -0.654 -10.168 0.007 1.00 0.00 C ATOM 1242 CD GLN A 79 -2.101 -9.864 -0.363 1.00 0.00 C ATOM 1243 OE1 GLN A 79 -2.644 -8.836 0.042 1.00 0.00 O ATOM 1244 NE2 GLN A 79 -2.760 -10.699 -1.117 1.00 0.00 N ATOM 0 H GLN A 79 2.080 -8.810 1.729 1.00 0.00 H new ATOM 0 HA GLN A 79 1.955 -10.349 -0.782 1.00 0.00 H new ATOM 0 HB2 GLN A 79 0.024 -8.116 0.012 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.095 -8.884 -1.562 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.351 -11.121 -0.428 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.559 -10.267 1.088 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.308 -11.550 -1.451 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.727 -10.501 -1.372 1.00 0.00 H new ATOM 1253 N VAL A 80 2.906 -8.329 -2.050 1.00 0.00 N ATOM 1254 CA VAL A 80 3.768 -7.313 -2.643 1.00 0.00 C ATOM 1255 C VAL A 80 3.124 -6.693 -3.879 1.00 0.00 C ATOM 1256 O VAL A 80 2.705 -7.400 -4.795 1.00 0.00 O ATOM 1257 CB VAL A 80 5.110 -7.937 -3.031 1.00 0.00 C ATOM 1258 CG1 VAL A 80 6.021 -6.865 -3.634 1.00 0.00 C ATOM 1259 CG2 VAL A 80 5.774 -8.528 -1.786 1.00 0.00 C ATOM 0 H VAL A 80 2.550 -9.023 -2.707 1.00 0.00 H new ATOM 0 HA VAL A 80 3.921 -6.527 -1.903 1.00 0.00 H new ATOM 0 HB VAL A 80 4.944 -8.725 -3.766 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.976 -7.312 -3.909 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.549 -6.443 -4.521 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.188 -6.075 -2.901 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.730 -8.973 -2.060 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.938 -7.739 -1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.127 -9.293 -1.357 1.00 0.00 H new ATOM 1269 N LEU A 81 3.073 -5.365 -3.905 1.00 0.00 N ATOM 1270 CA LEU A 81 2.506 -4.648 -5.041 1.00 0.00 C ATOM 1271 C LEU A 81 3.616 -3.884 -5.748 1.00 0.00 C ATOM 1272 O LEU A 81 4.375 -3.160 -5.107 1.00 0.00 O ATOM 1273 CB LEU A 81 1.449 -3.651 -4.569 1.00 0.00 C ATOM 1274 CG LEU A 81 0.616 -4.269 -3.450 1.00 0.00 C ATOM 1275 CD1 LEU A 81 -0.454 -3.271 -3.009 1.00 0.00 C ATOM 1276 CD2 LEU A 81 -0.062 -5.540 -3.952 1.00 0.00 C ATOM 0 H LEU A 81 3.416 -4.765 -3.155 1.00 0.00 H new ATOM 0 HA LEU A 81 2.043 -5.367 -5.717 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.929 -2.739 -4.215 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.804 -3.370 -5.402 1.00 0.00 H new ATOM 0 HG LEU A 81 1.266 -4.513 -2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.052 -3.708 -2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.024 -2.360 -2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.099 -3.031 -3.855 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.655 -5.977 -3.149 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.712 -5.298 -4.793 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.696 -6.254 -4.273 1.00 0.00 H new ATOM 1288 N SER A 82 3.725 -4.037 -7.059 1.00 0.00 N ATOM 1289 CA SER A 82 4.771 -3.328 -7.779 1.00 0.00 C ATOM 1290 C SER A 82 4.453 -3.174 -9.251 1.00 0.00 C ATOM 1291 O SER A 82 3.541 -3.806 -9.784 1.00 0.00 O ATOM 1292 CB SER A 82 6.103 -4.053 -7.633 1.00 0.00 C ATOM 1293 OG SER A 82 7.102 -3.333 -8.341 1.00 0.00 O ATOM 0 H SER A 82 3.122 -4.627 -7.632 1.00 0.00 H new ATOM 0 HA SER A 82 4.835 -2.333 -7.338 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.373 -4.135 -6.580 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.024 -5.068 -8.022 1.00 0.00 H new ATOM 0 HG SER A 82 7.110 -2.401 -8.039 1.00 0.00 H new ATOM 1299 N GLY A 83 5.236 -2.325 -9.897 1.00 0.00 N ATOM 1300 CA GLY A 83 5.069 -2.073 -11.322 1.00 0.00 C ATOM 1301 C GLY A 83 4.046 -0.972 -11.576 1.00 0.00 C ATOM 1302 O GLY A 83 3.086 -1.166 -12.322 1.00 0.00 O ATOM 0 H GLY A 83 5.993 -1.799 -9.460 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.027 -1.789 -11.758 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.751 -2.989 -11.820 1.00 0.00 H new ATOM 1306 N ILE A 84 4.265 0.176 -10.946 1.00 0.00 N ATOM 1307 CA ILE A 84 3.368 1.324 -11.091 1.00 0.00 C ATOM 1308 C ILE A 84 1.898 0.904 -11.067 1.00 0.00 C ATOM 1309 O ILE A 84 1.010 1.732 -11.273 1.00 0.00 O ATOM 1310 CB ILE A 84 3.678 2.071 -12.393 1.00 0.00 C ATOM 1311 CG1 ILE A 84 3.189 1.263 -13.601 1.00 0.00 C ATOM 1312 CG2 ILE A 84 5.188 2.274 -12.507 1.00 0.00 C ATOM 1313 CD1 ILE A 84 3.335 2.103 -14.871 1.00 0.00 C ATOM 0 H ILE A 84 5.059 0.340 -10.327 1.00 0.00 H new ATOM 0 HA ILE A 84 3.537 1.985 -10.241 1.00 0.00 H new ATOM 0 HB ILE A 84 3.168 3.034 -12.379 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.765 0.342 -13.693 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.147 0.974 -13.461 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.415 2.805 -13.431 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.542 2.858 -11.657 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.686 1.304 -12.514 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.987 1.528 -15.729 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.739 3.011 -14.777 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.382 2.369 -15.013 1.00 0.00 H new ATOM 1325 N ASP A 85 1.642 -0.373 -10.808 1.00 0.00 N ATOM 1326 CA ASP A 85 0.271 -0.869 -10.751 1.00 0.00 C ATOM 1327 C ASP A 85 -0.191 -0.953 -9.301 1.00 0.00 C ATOM 1328 O ASP A 85 -1.248 -1.507 -9.001 1.00 0.00 O ATOM 1329 CB ASP A 85 0.189 -2.251 -11.400 1.00 0.00 C ATOM 1330 CG ASP A 85 0.988 -3.260 -10.583 1.00 0.00 C ATOM 1331 OD1 ASP A 85 1.338 -2.939 -9.458 1.00 0.00 O ATOM 1332 OD2 ASP A 85 1.240 -4.339 -11.093 1.00 0.00 O ATOM 0 H ASP A 85 2.358 -1.079 -10.635 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.377 -0.181 -11.293 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.852 -2.569 -11.468 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.576 -2.207 -12.418 1.00 0.00 H new ATOM 1337 N LEU A 86 0.624 -0.403 -8.408 1.00 0.00 N ATOM 1338 CA LEU A 86 0.324 -0.412 -6.983 1.00 0.00 C ATOM 1339 C LEU A 86 -1.098 0.068 -6.714 1.00 0.00 C ATOM 1340 O LEU A 86 -1.821 -0.525 -5.912 1.00 0.00 O ATOM 1341 CB LEU A 86 1.307 0.500 -6.247 1.00 0.00 C ATOM 1342 CG LEU A 86 2.741 0.123 -6.628 1.00 0.00 C ATOM 1343 CD1 LEU A 86 3.219 0.983 -7.805 1.00 0.00 C ATOM 1344 CD2 LEU A 86 3.657 0.359 -5.427 1.00 0.00 C ATOM 0 H LEU A 86 1.502 0.057 -8.649 1.00 0.00 H new ATOM 0 HA LEU A 86 0.418 -1.437 -6.624 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.114 1.542 -6.503 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.169 0.406 -5.170 1.00 0.00 H new ATOM 0 HG LEU A 86 2.769 -0.927 -6.920 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.240 0.706 -8.067 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.567 0.820 -8.663 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.190 2.035 -7.522 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.680 0.092 -5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 86 3.618 1.410 -5.141 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.326 -0.257 -4.591 1.00 0.00 H new ATOM 1356 N THR A 87 -1.489 1.153 -7.372 1.00 0.00 N ATOM 1357 CA THR A 87 -2.822 1.709 -7.172 1.00 0.00 C ATOM 1358 C THR A 87 -3.898 0.753 -7.672 1.00 0.00 C ATOM 1359 O THR A 87 -4.952 0.620 -7.052 1.00 0.00 O ATOM 1360 CB THR A 87 -2.944 3.051 -7.897 1.00 0.00 C ATOM 1361 OG1 THR A 87 -2.899 2.835 -9.301 1.00 0.00 O ATOM 1362 CG2 THR A 87 -1.787 3.964 -7.483 1.00 0.00 C ATOM 0 H THR A 87 -0.910 1.660 -8.041 1.00 0.00 H new ATOM 0 HA THR A 87 -2.968 1.859 -6.102 1.00 0.00 H new ATOM 0 HB THR A 87 -3.890 3.523 -7.631 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.979 3.694 -9.767 1.00 0.00 H new ATOM 0 HG21 THR A 87 -1.875 4.920 -8.000 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.821 4.129 -6.406 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.840 3.494 -7.748 1.00 0.00 H new ATOM 1370 N ASP A 88 -3.631 0.081 -8.784 1.00 0.00 N ATOM 1371 CA ASP A 88 -4.593 -0.859 -9.326 1.00 0.00 C ATOM 1372 C ASP A 88 -4.656 -2.087 -8.427 1.00 0.00 C ATOM 1373 O ASP A 88 -5.734 -2.542 -8.039 1.00 0.00 O ATOM 1374 CB ASP A 88 -4.165 -1.273 -10.734 1.00 0.00 C ATOM 1375 CG ASP A 88 -4.119 -0.055 -11.651 1.00 0.00 C ATOM 1376 OD1 ASP A 88 -4.988 0.792 -11.524 1.00 0.00 O ATOM 1377 OD2 ASP A 88 -3.211 0.015 -12.463 1.00 0.00 O ATOM 0 H ASP A 88 -2.767 0.169 -9.320 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.577 -0.391 -9.373 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.185 -1.748 -10.699 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.862 -2.010 -11.132 1.00 0.00 H new ATOM 1382 N GLN A 89 -3.482 -2.605 -8.090 1.00 0.00 N ATOM 1383 CA GLN A 89 -3.383 -3.771 -7.227 1.00 0.00 C ATOM 1384 C GLN A 89 -3.830 -3.426 -5.809 1.00 0.00 C ATOM 1385 O GLN A 89 -4.578 -4.178 -5.185 1.00 0.00 O ATOM 1386 CB GLN A 89 -1.938 -4.263 -7.207 1.00 0.00 C ATOM 1387 CG GLN A 89 -1.913 -5.774 -6.982 1.00 0.00 C ATOM 1388 CD GLN A 89 -0.474 -6.275 -7.029 1.00 0.00 C ATOM 1389 OE1 GLN A 89 0.453 -5.515 -7.549 1.00 0.00 O flip ATOM 1390 NE2 GLN A 89 -0.187 -7.389 -6.591 1.00 0.00 N flip ATOM 0 H GLN A 89 -2.585 -2.234 -8.403 1.00 0.00 H new ATOM 0 HA GLN A 89 -4.034 -4.555 -7.614 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -1.447 -4.017 -8.149 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -1.383 -3.758 -6.416 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.361 -6.016 -6.018 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -2.508 -6.275 -7.745 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -0.913 -7.980 -6.186 1.00 0.00 H new ATOM 0 HE22 GLN A 89 0.777 -7.721 -6.633 1.00 0.00 H new ATOM 1399 N LEU A 90 -3.368 -2.282 -5.303 1.00 0.00 N ATOM 1400 CA LEU A 90 -3.734 -1.862 -3.955 1.00 0.00 C ATOM 1401 C LEU A 90 -5.249 -1.789 -3.806 1.00 0.00 C ATOM 1402 O LEU A 90 -5.812 -2.313 -2.843 1.00 0.00 O ATOM 1403 CB LEU A 90 -3.128 -0.493 -3.646 1.00 0.00 C ATOM 1404 CG LEU A 90 -3.531 -0.070 -2.232 1.00 0.00 C ATOM 1405 CD1 LEU A 90 -2.844 -0.978 -1.211 1.00 0.00 C ATOM 1406 CD2 LEU A 90 -3.108 1.380 -1.995 1.00 0.00 C ATOM 0 H LEU A 90 -2.749 -1.640 -5.799 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.344 -2.599 -3.253 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.042 -0.536 -3.730 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.475 0.243 -4.371 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.612 -0.155 -2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.132 -0.676 -0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.147 -2.011 -1.381 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.763 -0.895 -1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.395 1.683 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.027 1.467 -2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.600 2.026 -2.722 1.00 0.00 H new ATOM 1418 N ALA A 91 -5.904 -1.142 -4.762 1.00 0.00 N ATOM 1419 CA ALA A 91 -7.354 -1.014 -4.724 1.00 0.00 C ATOM 1420 C ALA A 91 -8.000 -2.393 -4.704 1.00 0.00 C ATOM 1421 O ALA A 91 -9.023 -2.603 -4.054 1.00 0.00 O ATOM 1422 CB ALA A 91 -7.850 -0.230 -5.941 1.00 0.00 C ATOM 0 H ALA A 91 -5.458 -0.701 -5.567 1.00 0.00 H new ATOM 0 HA ALA A 91 -7.631 -0.475 -3.818 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.936 -0.142 -5.899 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.405 0.765 -5.939 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -7.563 -0.754 -6.853 1.00 0.00 H new ATOM 1428 N ASN A 92 -7.391 -3.328 -5.422 1.00 0.00 N ATOM 1429 CA ASN A 92 -7.902 -4.685 -5.484 1.00 0.00 C ATOM 1430 C ASN A 92 -7.504 -5.473 -4.241 1.00 0.00 C ATOM 1431 O ASN A 92 -8.274 -6.287 -3.731 1.00 0.00 O ATOM 1432 CB ASN A 92 -7.336 -5.380 -6.719 1.00 0.00 C ATOM 1433 CG ASN A 92 -7.926 -4.767 -7.984 1.00 0.00 C ATOM 1434 OD1 ASN A 92 -9.023 -4.065 -7.908 1.00 0.00 O flip ATOM 1435 ND2 ASN A 92 -7.371 -4.930 -9.071 1.00 0.00 N flip ATOM 0 H ASN A 92 -6.544 -3.169 -5.968 1.00 0.00 H new ATOM 0 HA ASN A 92 -8.990 -4.644 -5.538 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.250 -5.286 -6.733 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -7.563 -6.445 -6.682 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -6.513 -5.479 -9.128 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -7.769 -4.516 -9.914 1.00 0.00 H new ATOM 1442 N GLN A 93 -6.285 -5.237 -3.774 1.00 0.00 N ATOM 1443 CA GLN A 93 -5.767 -5.933 -2.610 1.00 0.00 C ATOM 1444 C GLN A 93 -6.315 -5.358 -1.307 1.00 0.00 C ATOM 1445 O GLN A 93 -6.525 -6.089 -0.340 1.00 0.00 O ATOM 1446 CB GLN A 93 -4.243 -5.849 -2.608 1.00 0.00 C ATOM 1447 CG GLN A 93 -3.696 -6.656 -3.783 1.00 0.00 C ATOM 1448 CD GLN A 93 -4.081 -8.120 -3.623 1.00 0.00 C ATOM 1449 OE1 GLN A 93 -3.789 -8.733 -2.596 1.00 0.00 O ATOM 1450 NE2 GLN A 93 -4.725 -8.721 -4.583 1.00 0.00 N ATOM 0 H GLN A 93 -5.637 -4.566 -4.187 1.00 0.00 H new ATOM 0 HA GLN A 93 -6.089 -6.972 -2.671 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -3.924 -4.810 -2.685 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -3.846 -6.236 -1.669 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.092 -6.266 -4.720 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.611 -6.558 -3.830 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -4.966 -8.211 -5.433 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -4.988 -9.701 -4.485 1.00 0.00 H new ATOM 1459 N LEU A 94 -6.534 -4.049 -1.278 1.00 0.00 N ATOM 1460 CA LEU A 94 -7.044 -3.408 -0.076 1.00 0.00 C ATOM 1461 C LEU A 94 -8.309 -4.111 0.426 1.00 0.00 C ATOM 1462 O LEU A 94 -8.336 -4.603 1.554 1.00 0.00 O ATOM 1463 CB LEU A 94 -7.316 -1.928 -0.349 1.00 0.00 C ATOM 1464 CG LEU A 94 -8.206 -1.358 0.758 1.00 0.00 C ATOM 1465 CD1 LEU A 94 -7.551 -1.620 2.116 1.00 0.00 C ATOM 1466 CD2 LEU A 94 -8.372 0.150 0.554 1.00 0.00 C ATOM 0 H LEU A 94 -6.369 -3.419 -2.063 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.289 -3.487 0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.376 -1.377 -0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.802 -1.810 -1.318 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.184 -1.837 0.725 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.181 -1.216 2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.430 -2.694 2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.574 -1.138 2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.006 0.556 1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.395 0.632 0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.834 0.337 -0.415 1.00 0.00 H new ATOM 1478 N PRO A 95 -9.344 -4.184 -0.376 1.00 0.00 N ATOM 1479 CA PRO A 95 -10.611 -4.864 0.017 1.00 0.00 C ATOM 1480 C PRO A 95 -10.346 -6.238 0.632 1.00 0.00 C ATOM 1481 O PRO A 95 -10.914 -6.592 1.665 1.00 0.00 O ATOM 1482 CB PRO A 95 -11.387 -5.025 -1.297 1.00 0.00 C ATOM 1483 CG PRO A 95 -10.531 -4.454 -2.387 1.00 0.00 C ATOM 1484 CD PRO A 95 -9.435 -3.626 -1.727 1.00 0.00 C ATOM 0 HA PRO A 95 -11.153 -4.290 0.769 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.605 -6.075 -1.489 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -12.343 -4.505 -1.246 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.097 -5.251 -2.991 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -11.127 -3.835 -3.057 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.489 -3.715 -2.261 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.691 -2.567 -1.706 1.00 0.00 H new ATOM 1492 N GLN A 96 -9.478 -7.006 -0.021 1.00 0.00 N ATOM 1493 CA GLN A 96 -9.137 -8.343 0.454 1.00 0.00 C ATOM 1494 C GLN A 96 -8.510 -8.275 1.839 1.00 0.00 C ATOM 1495 O GLN A 96 -8.683 -9.178 2.657 1.00 0.00 O ATOM 1496 CB GLN A 96 -8.159 -9.008 -0.517 1.00 0.00 C ATOM 1497 CG GLN A 96 -8.844 -9.193 -1.868 1.00 0.00 C ATOM 1498 CD GLN A 96 -7.885 -9.851 -2.855 1.00 0.00 C ATOM 1499 OE1 GLN A 96 -6.675 -9.644 -2.776 1.00 0.00 O ATOM 1500 NE2 GLN A 96 -8.355 -10.637 -3.785 1.00 0.00 N ATOM 0 H GLN A 96 -9.000 -6.726 -0.877 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.052 -8.932 0.510 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -7.265 -8.394 -0.630 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.836 -9.972 -0.124 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.736 -9.808 -1.751 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -9.170 -8.227 -2.254 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -9.359 -10.808 -3.849 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.719 -11.081 -4.447 1.00 0.00 H new ATOM 1509 N TRP A 97 -7.777 -7.198 2.092 1.00 0.00 N ATOM 1510 CA TRP A 97 -7.122 -7.023 3.383 1.00 0.00 C ATOM 1511 C TRP A 97 -8.160 -6.871 4.490 1.00 0.00 C ATOM 1512 O TRP A 97 -7.865 -7.091 5.662 1.00 0.00 O ATOM 1513 CB TRP A 97 -6.220 -5.789 3.350 1.00 0.00 C ATOM 1514 CG TRP A 97 -5.221 -5.929 2.245 1.00 0.00 C ATOM 1515 CD1 TRP A 97 -5.082 -7.021 1.455 1.00 0.00 C ATOM 1516 CD2 TRP A 97 -4.222 -4.969 1.794 1.00 0.00 C ATOM 1517 NE1 TRP A 97 -4.062 -6.790 0.549 1.00 0.00 N ATOM 1518 CE2 TRP A 97 -3.502 -5.539 0.718 1.00 0.00 C ATOM 1519 CE3 TRP A 97 -3.876 -3.670 2.210 1.00 0.00 C ATOM 1520 CZ2 TRP A 97 -2.474 -4.847 0.077 1.00 0.00 C ATOM 1521 CZ3 TRP A 97 -2.842 -2.970 1.566 1.00 0.00 C ATOM 1522 CH2 TRP A 97 -2.142 -3.557 0.502 1.00 0.00 C ATOM 0 H TRP A 97 -7.622 -6.439 1.428 1.00 0.00 H new ATOM 0 HA TRP A 97 -6.516 -7.906 3.586 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -6.820 -4.891 3.200 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -5.708 -5.675 4.305 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.671 -7.924 1.522 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -3.761 -7.461 -0.157 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.408 -3.209 3.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.938 -5.305 -0.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -2.585 -1.973 1.893 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -1.348 -3.014 0.012 1.00 0.00 H new ATOM 1533 N LEU A 98 -9.376 -6.501 4.106 1.00 0.00 N ATOM 1534 CA LEU A 98 -10.459 -6.337 5.063 1.00 0.00 C ATOM 1535 C LEU A 98 -11.259 -7.629 5.178 1.00 0.00 C ATOM 1536 O LEU A 98 -11.796 -7.956 6.236 1.00 0.00 O ATOM 1537 CB LEU A 98 -11.383 -5.217 4.593 1.00 0.00 C ATOM 1538 CG LEU A 98 -10.593 -3.916 4.475 1.00 0.00 C ATOM 1539 CD1 LEU A 98 -11.537 -2.789 4.055 1.00 0.00 C ATOM 1540 CD2 LEU A 98 -9.968 -3.581 5.829 1.00 0.00 C ATOM 0 H LEU A 98 -9.635 -6.309 3.138 1.00 0.00 H new ATOM 0 HA LEU A 98 -10.037 -6.089 6.037 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.823 -5.475 3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -12.206 -5.092 5.296 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.806 -4.029 3.729 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.977 -1.858 3.970 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -11.987 -3.031 3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.321 -2.673 4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.403 -2.652 5.749 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.755 -3.464 6.574 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.300 -4.388 6.131 1.00 0.00 H new