USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 554 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 22 CYS SG : rot -52:sc= -6.42! USER MOD Set 1.2: A 26 HIS : no HE2:sc= -3.34 K(o=-9.8,f=-15!) USER MOD Single : A 11 THR OG1 : rot 40:sc= 0.279 USER MOD Single : A 14 SER OG : rot -132:sc= -1.47! USER MOD Single : A 33 THR OG1 : rot -94:sc= -0.625 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.297 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0274 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot -172:sc= -1.64! USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= 0.978 K(o=0.98,f=-4!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -1.31 K(o=-1.3,f=-2.9!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00603 USER MOD Single : A 80 SER OG : rot -27:sc= 0.19 USER MOD Single : A 81 THR OG1 : rot 75:sc= 0.642 USER MOD ----------------------------------------------------------------- ATOM 136 N THR A 11 4.322 -12.214 -2.352 1.00 0.00 N ATOM 137 CA THR A 11 4.804 -12.577 -1.019 1.00 0.00 C ATOM 138 C THR A 11 4.755 -11.366 -0.094 1.00 0.00 C ATOM 139 O THR A 11 4.708 -10.229 -0.551 1.00 0.00 O ATOM 140 CB THR A 11 6.240 -13.098 -1.099 1.00 0.00 C ATOM 141 OG1 THR A 11 6.331 -14.068 -2.133 1.00 0.00 O ATOM 142 CG2 THR A 11 6.629 -13.732 0.238 1.00 0.00 C ATOM 0 HA THR A 11 4.159 -13.361 -0.621 1.00 0.00 H new ATOM 0 HB THR A 11 6.917 -12.272 -1.316 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.794 -13.780 -2.900 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.652 -14.103 0.181 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.558 -12.986 1.029 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.955 -14.560 0.458 1.00 0.00 H new ATOM 150 N LEU A 12 4.740 -11.620 1.205 1.00 0.00 N ATOM 151 CA LEU A 12 4.656 -10.541 2.181 1.00 0.00 C ATOM 152 C LEU A 12 5.726 -9.495 1.904 1.00 0.00 C ATOM 153 O LEU A 12 5.461 -8.291 1.959 1.00 0.00 O ATOM 154 CB LEU A 12 4.860 -11.111 3.591 1.00 0.00 C ATOM 155 CG LEU A 12 3.578 -11.800 4.068 1.00 0.00 C ATOM 156 CD1 LEU A 12 3.310 -13.048 3.212 1.00 0.00 C ATOM 157 CD2 LEU A 12 3.738 -12.215 5.536 1.00 0.00 C ATOM 0 H LEU A 12 4.784 -12.556 1.608 1.00 0.00 H new ATOM 0 HA LEU A 12 3.674 -10.074 2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.686 -11.823 3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.131 -10.311 4.280 1.00 0.00 H new ATOM 0 HG LEU A 12 2.741 -11.109 3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.397 -13.535 3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.195 -12.756 2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.147 -13.740 3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.826 -12.706 5.877 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.578 -12.904 5.630 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.924 -11.331 6.146 1.00 0.00 H new ATOM 169 N ASP A 13 6.929 -9.954 1.603 1.00 0.00 N ATOM 170 CA ASP A 13 8.018 -9.037 1.319 1.00 0.00 C ATOM 171 C ASP A 13 7.797 -8.340 -0.014 1.00 0.00 C ATOM 172 O ASP A 13 8.125 -7.167 -0.151 1.00 0.00 O ATOM 173 CB ASP A 13 9.350 -9.778 1.271 1.00 0.00 C ATOM 174 CG ASP A 13 9.397 -10.820 2.388 1.00 0.00 C ATOM 175 OD1 ASP A 13 8.827 -10.564 3.436 1.00 0.00 O ATOM 176 OD2 ASP A 13 9.995 -11.864 2.177 1.00 0.00 O ATOM 0 H ASP A 13 7.174 -10.943 1.549 1.00 0.00 H new ATOM 0 HA ASP A 13 8.043 -8.297 2.119 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.474 -10.262 0.302 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.174 -9.073 1.382 1.00 0.00 H new ATOM 181 N SER A 14 7.238 -9.064 -0.992 1.00 0.00 N ATOM 182 CA SER A 14 6.988 -8.480 -2.302 1.00 0.00 C ATOM 183 C SER A 14 5.918 -7.400 -2.210 1.00 0.00 C ATOM 184 O SER A 14 5.993 -6.356 -2.878 1.00 0.00 O ATOM 185 CB SER A 14 6.541 -9.553 -3.267 1.00 0.00 C ATOM 186 OG SER A 14 5.274 -10.048 -2.859 1.00 0.00 O ATOM 0 H SER A 14 6.956 -10.040 -0.897 1.00 0.00 H new ATOM 0 HA SER A 14 7.913 -8.030 -2.662 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.479 -9.148 -4.277 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.270 -10.363 -3.293 1.00 0.00 H new ATOM 0 HG SER A 14 5.291 -11.028 -2.855 1.00 0.00 H new ATOM 192 N LEU A 15 4.903 -7.640 -1.402 1.00 0.00 N ATOM 193 CA LEU A 15 3.853 -6.656 -1.263 1.00 0.00 C ATOM 194 C LEU A 15 4.369 -5.486 -0.432 1.00 0.00 C ATOM 195 O LEU A 15 4.501 -4.368 -0.926 1.00 0.00 O ATOM 196 CB LEU A 15 2.637 -7.288 -0.586 1.00 0.00 C ATOM 197 CG LEU A 15 2.164 -8.484 -1.412 1.00 0.00 C ATOM 198 CD1 LEU A 15 1.072 -9.220 -0.635 1.00 0.00 C ATOM 199 CD2 LEU A 15 1.618 -8.010 -2.775 1.00 0.00 C ATOM 0 H LEU A 15 4.786 -8.487 -0.845 1.00 0.00 H new ATOM 0 HA LEU A 15 3.556 -6.295 -2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.894 -7.608 0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.836 -6.555 -0.494 1.00 0.00 H new ATOM 0 HG LEU A 15 3.002 -9.156 -1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.727 -10.076 -1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.473 -9.565 0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.236 -8.544 -0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.285 -8.872 -3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.778 -7.333 -2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.405 -7.489 -3.321 1.00 0.00 H new ATOM 211 N ARG A 16 4.629 -5.745 0.838 1.00 0.00 N ATOM 212 CA ARG A 16 5.090 -4.690 1.741 1.00 0.00 C ATOM 213 C ARG A 16 6.023 -3.719 1.013 1.00 0.00 C ATOM 214 O ARG A 16 5.816 -2.496 1.053 1.00 0.00 O ATOM 215 CB ARG A 16 5.837 -5.322 2.908 1.00 0.00 C ATOM 216 CG ARG A 16 6.420 -4.234 3.850 1.00 0.00 C ATOM 217 CD ARG A 16 7.903 -3.970 3.538 1.00 0.00 C ATOM 218 NE ARG A 16 8.485 -3.135 4.573 1.00 0.00 N ATOM 219 CZ ARG A 16 9.731 -2.703 4.468 1.00 0.00 C ATOM 220 NH1 ARG A 16 10.444 -3.024 3.423 1.00 0.00 N ATOM 221 NH2 ARG A 16 10.239 -1.957 5.404 1.00 0.00 N ATOM 0 H ARG A 16 4.532 -6.664 1.269 1.00 0.00 H new ATOM 0 HA ARG A 16 4.223 -4.136 2.101 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.163 -5.970 3.468 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.643 -5.951 2.531 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.852 -3.310 3.740 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.314 -4.552 4.887 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.444 -4.914 3.474 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.998 -3.481 2.568 1.00 0.00 H new ATOM 0 HE ARG A 16 7.928 -2.879 5.388 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.040 -3.607 2.690 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.405 -2.692 3.340 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.677 -1.706 6.217 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.199 -1.623 5.325 1.00 0.00 H new ATOM 235 N VAL A 17 7.034 -4.265 0.329 1.00 0.00 N ATOM 236 CA VAL A 17 7.977 -3.435 -0.421 1.00 0.00 C ATOM 237 C VAL A 17 7.227 -2.654 -1.507 1.00 0.00 C ATOM 238 O VAL A 17 7.530 -1.492 -1.763 1.00 0.00 O ATOM 239 CB VAL A 17 9.050 -4.326 -1.065 1.00 0.00 C ATOM 240 CG1 VAL A 17 9.802 -5.121 0.033 1.00 0.00 C ATOM 241 CG2 VAL A 17 8.364 -5.291 -2.020 1.00 0.00 C ATOM 0 H VAL A 17 7.218 -5.267 0.280 1.00 0.00 H new ATOM 0 HA VAL A 17 8.457 -2.730 0.258 1.00 0.00 H new ATOM 0 HB VAL A 17 9.770 -3.712 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.562 -5.751 -0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.279 -4.426 0.724 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.095 -5.746 0.578 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.111 -5.933 -2.488 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.652 -5.905 -1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.837 -4.728 -2.790 1.00 0.00 H new ATOM 251 N TRP A 18 6.240 -3.292 -2.141 1.00 0.00 N ATOM 252 CA TRP A 18 5.465 -2.609 -3.175 1.00 0.00 C ATOM 253 C TRP A 18 4.816 -1.336 -2.612 1.00 0.00 C ATOM 254 O TRP A 18 4.898 -0.264 -3.207 1.00 0.00 O ATOM 255 CB TRP A 18 4.370 -3.577 -3.732 1.00 0.00 C ATOM 256 CG TRP A 18 2.981 -3.123 -3.337 1.00 0.00 C ATOM 257 CD1 TRP A 18 2.216 -3.638 -2.331 1.00 0.00 C ATOM 258 CD2 TRP A 18 2.199 -2.031 -3.893 1.00 0.00 C ATOM 259 NE1 TRP A 18 1.052 -2.930 -2.244 1.00 0.00 N ATOM 260 CE2 TRP A 18 0.993 -1.936 -3.168 1.00 0.00 C ATOM 261 CE3 TRP A 18 2.408 -1.110 -4.935 1.00 0.00 C ATOM 262 CZ2 TRP A 18 0.041 -0.993 -3.456 1.00 0.00 C ATOM 263 CZ3 TRP A 18 1.436 -0.151 -5.228 1.00 0.00 C ATOM 264 CH2 TRP A 18 0.259 -0.095 -4.479 1.00 0.00 C ATOM 0 H TRP A 18 5.964 -4.258 -1.962 1.00 0.00 H new ATOM 0 HA TRP A 18 6.134 -2.319 -3.985 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.444 -3.626 -4.818 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.546 -4.584 -3.355 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.488 -4.473 -1.703 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.315 -3.124 -1.566 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.322 -1.144 -5.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.875 -0.954 -2.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.595 0.549 -6.035 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.485 0.656 -4.702 1.00 0.00 H new ATOM 275 N LEU A 19 4.142 -1.482 -1.478 1.00 0.00 N ATOM 276 CA LEU A 19 3.451 -0.357 -0.860 1.00 0.00 C ATOM 277 C LEU A 19 4.413 0.788 -0.621 1.00 0.00 C ATOM 278 O LEU A 19 4.238 1.878 -1.161 1.00 0.00 O ATOM 279 CB LEU A 19 2.840 -0.818 0.478 1.00 0.00 C ATOM 280 CG LEU A 19 1.303 -1.039 0.357 1.00 0.00 C ATOM 281 CD1 LEU A 19 0.890 -2.281 1.139 1.00 0.00 C ATOM 282 CD2 LEU A 19 0.554 0.195 0.887 1.00 0.00 C ATOM 0 H LEU A 19 4.059 -2.363 -0.970 1.00 0.00 H new ATOM 0 HA LEU A 19 2.662 -0.009 -1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.318 -1.744 0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.042 -0.073 1.248 1.00 0.00 H new ATOM 0 HG LEU A 19 1.046 -1.185 -0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.186 -2.427 1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.409 -3.152 0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.151 -2.153 2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.520 0.034 0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.813 0.356 1.934 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.838 1.071 0.304 1.00 0.00 H new ATOM 294 N VAL A 20 5.432 0.554 0.186 1.00 0.00 N ATOM 295 CA VAL A 20 6.382 1.605 0.468 1.00 0.00 C ATOM 296 C VAL A 20 7.031 2.104 -0.814 1.00 0.00 C ATOM 297 O VAL A 20 7.112 3.308 -1.048 1.00 0.00 O ATOM 298 CB VAL A 20 7.449 1.070 1.425 1.00 0.00 C ATOM 299 CG1 VAL A 20 8.065 -0.209 0.850 1.00 0.00 C ATOM 300 CG2 VAL A 20 8.542 2.123 1.614 1.00 0.00 C ATOM 0 H VAL A 20 5.618 -0.336 0.647 1.00 0.00 H new ATOM 0 HA VAL A 20 5.860 2.443 0.930 1.00 0.00 H new ATOM 0 HB VAL A 20 6.989 0.847 2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.824 -0.587 1.535 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.287 -0.961 0.720 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.523 0.009 -0.115 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.302 1.741 2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 20 9.000 2.349 0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.105 3.031 2.030 1.00 0.00 H new ATOM 310 N ASP A 21 7.508 1.180 -1.629 1.00 0.00 N ATOM 311 CA ASP A 21 8.165 1.561 -2.864 1.00 0.00 C ATOM 312 C ASP A 21 7.231 2.403 -3.725 1.00 0.00 C ATOM 313 O ASP A 21 7.661 3.335 -4.410 1.00 0.00 O ATOM 314 CB ASP A 21 8.582 0.304 -3.628 1.00 0.00 C ATOM 315 CG ASP A 21 9.305 0.681 -4.916 1.00 0.00 C ATOM 316 OD1 ASP A 21 9.346 1.859 -5.227 1.00 0.00 O ATOM 317 OD2 ASP A 21 9.806 -0.217 -5.574 1.00 0.00 O ATOM 0 H ASP A 21 7.454 0.175 -1.461 1.00 0.00 H new ATOM 0 HA ASP A 21 9.048 2.154 -2.627 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.232 -0.309 -3.004 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.703 -0.297 -3.859 1.00 0.00 H new ATOM 322 N CYS A 22 5.946 2.077 -3.672 1.00 0.00 N ATOM 323 CA CYS A 22 4.958 2.815 -4.441 1.00 0.00 C ATOM 324 C CYS A 22 4.882 4.257 -3.966 1.00 0.00 C ATOM 325 O CYS A 22 4.880 5.185 -4.776 1.00 0.00 O ATOM 326 CB CYS A 22 3.582 2.166 -4.300 1.00 0.00 C ATOM 327 SG CYS A 22 2.396 3.029 -5.360 1.00 0.00 S ATOM 0 H CYS A 22 5.568 1.314 -3.110 1.00 0.00 H new ATOM 0 HA CYS A 22 5.261 2.797 -5.488 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.635 1.113 -4.577 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.254 2.206 -3.261 1.00 0.00 H new ATOM 0 HG CYS A 22 2.453 4.306 -5.125 1.00 0.00 H new ATOM 333 N VAL A 23 4.813 4.450 -2.651 1.00 0.00 N ATOM 334 CA VAL A 23 4.731 5.799 -2.116 1.00 0.00 C ATOM 335 C VAL A 23 6.005 6.567 -2.469 1.00 0.00 C ATOM 336 O VAL A 23 5.940 7.701 -2.949 1.00 0.00 O ATOM 337 CB VAL A 23 4.570 5.748 -0.598 1.00 0.00 C ATOM 338 CG1 VAL A 23 4.408 7.164 -0.009 1.00 0.00 C ATOM 339 CG2 VAL A 23 3.346 4.905 -0.233 1.00 0.00 C ATOM 0 H VAL A 23 4.812 3.706 -1.953 1.00 0.00 H new ATOM 0 HA VAL A 23 3.868 6.304 -2.550 1.00 0.00 H new ATOM 0 HB VAL A 23 5.469 5.297 -0.178 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.295 7.097 1.073 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.290 7.760 -0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.524 7.637 -0.437 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.237 4.873 0.851 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.454 5.349 -0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.475 3.892 -0.615 1.00 0.00 H new ATOM 349 N ALA A 24 7.170 5.957 -2.220 1.00 0.00 N ATOM 350 CA ALA A 24 8.434 6.617 -2.511 1.00 0.00 C ATOM 351 C ALA A 24 8.411 7.165 -3.924 1.00 0.00 C ATOM 352 O ALA A 24 8.743 8.317 -4.153 1.00 0.00 O ATOM 353 CB ALA A 24 9.583 5.617 -2.360 1.00 0.00 C ATOM 0 H ALA A 24 7.257 5.021 -1.823 1.00 0.00 H new ATOM 0 HA ALA A 24 8.581 7.440 -1.811 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.528 6.113 -2.578 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.601 5.235 -1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.439 4.789 -3.055 1.00 0.00 H new ATOM 359 N GLY A 25 8.030 6.324 -4.870 1.00 0.00 N ATOM 360 CA GLY A 25 7.974 6.753 -6.263 1.00 0.00 C ATOM 361 C GLY A 25 6.951 7.872 -6.442 1.00 0.00 C ATOM 362 O GLY A 25 7.204 8.851 -7.147 1.00 0.00 O ATOM 0 H GLY A 25 7.758 5.355 -4.707 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.957 7.098 -6.582 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.711 5.908 -6.899 1.00 0.00 H new ATOM 366 N HIS A 26 5.790 7.719 -5.810 1.00 0.00 N ATOM 367 CA HIS A 26 4.737 8.723 -5.920 1.00 0.00 C ATOM 368 C HIS A 26 5.237 10.094 -5.475 1.00 0.00 C ATOM 369 O HIS A 26 5.103 11.070 -6.211 1.00 0.00 O ATOM 370 CB HIS A 26 3.540 8.329 -5.044 1.00 0.00 C ATOM 371 CG HIS A 26 2.769 7.219 -5.695 1.00 0.00 C ATOM 372 ND1 HIS A 26 3.135 6.688 -6.918 1.00 0.00 N ATOM 373 CD2 HIS A 26 1.639 6.541 -5.312 1.00 0.00 C ATOM 374 CE1 HIS A 26 2.239 5.734 -7.229 1.00 0.00 C ATOM 375 NE2 HIS A 26 1.305 5.603 -6.284 1.00 0.00 N ATOM 0 H HIS A 26 5.557 6.918 -5.223 1.00 0.00 H new ATOM 0 HA HIS A 26 4.436 8.775 -6.966 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.887 8.013 -4.060 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.892 9.192 -4.891 1.00 0.00 H new ATOM 0 HD1 HIS A 26 3.938 6.968 -7.481 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.092 6.710 -4.396 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.271 5.145 -8.134 1.00 0.00 H new ATOM 384 N LEU A 27 5.815 10.181 -4.273 1.00 0.00 N ATOM 385 CA LEU A 27 6.316 11.463 -3.784 1.00 0.00 C ATOM 386 C LEU A 27 7.732 11.725 -4.292 1.00 0.00 C ATOM 387 O LEU A 27 8.110 12.868 -4.554 1.00 0.00 O ATOM 388 CB LEU A 27 6.308 11.443 -2.255 1.00 0.00 C ATOM 389 CG LEU A 27 4.905 11.059 -1.757 1.00 0.00 C ATOM 390 CD1 LEU A 27 4.905 11.002 -0.226 1.00 0.00 C ATOM 391 CD2 LEU A 27 3.877 12.097 -2.233 1.00 0.00 C ATOM 0 H LEU A 27 5.945 9.396 -3.635 1.00 0.00 H new ATOM 0 HA LEU A 27 5.673 12.262 -4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.045 10.730 -1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.589 12.422 -1.866 1.00 0.00 H new ATOM 0 HG LEU A 27 4.637 10.082 -2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.911 10.730 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.626 10.257 0.110 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.178 11.978 0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.886 11.818 -1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.141 13.078 -1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.874 12.133 -3.322 1.00 0.00 H new ATOM 403 N GLY A 28 8.511 10.656 -4.412 1.00 0.00 N ATOM 404 CA GLY A 28 9.900 10.739 -4.872 1.00 0.00 C ATOM 405 C GLY A 28 10.880 10.684 -3.695 1.00 0.00 C ATOM 406 O GLY A 28 12.094 10.686 -3.895 1.00 0.00 O ATOM 0 H GLY A 28 8.203 9.708 -4.195 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.107 9.919 -5.559 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.047 11.665 -5.427 1.00 0.00 H new ATOM 410 N LEU A 29 10.353 10.646 -2.471 1.00 0.00 N ATOM 411 CA LEU A 29 11.201 10.604 -1.283 1.00 0.00 C ATOM 412 C LEU A 29 11.889 9.248 -1.180 1.00 0.00 C ATOM 413 O LEU A 29 11.722 8.394 -2.049 1.00 0.00 O ATOM 414 CB LEU A 29 10.364 10.848 -0.026 1.00 0.00 C ATOM 415 CG LEU A 29 9.510 12.105 -0.216 1.00 0.00 C ATOM 416 CD1 LEU A 29 8.689 12.361 1.051 1.00 0.00 C ATOM 417 CD2 LEU A 29 10.411 13.319 -0.509 1.00 0.00 C ATOM 0 H LEU A 29 9.351 10.643 -2.278 1.00 0.00 H new ATOM 0 HA LEU A 29 11.955 11.386 -1.367 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.725 9.987 0.170 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.015 10.966 0.840 1.00 0.00 H new ATOM 0 HG LEU A 29 8.837 11.956 -1.060 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.081 13.256 0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.040 11.507 1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.361 12.503 1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.793 14.207 -0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.095 13.475 0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.984 13.136 -1.418 1.00 0.00 H new ATOM 429 N ASP A 30 12.662 9.059 -0.118 1.00 0.00 N ATOM 430 CA ASP A 30 13.368 7.799 0.082 1.00 0.00 C ATOM 431 C ASP A 30 12.449 6.771 0.740 1.00 0.00 C ATOM 432 O ASP A 30 11.762 7.072 1.715 1.00 0.00 O ATOM 433 CB ASP A 30 14.603 8.030 0.961 1.00 0.00 C ATOM 434 CG ASP A 30 15.730 8.654 0.143 1.00 0.00 C ATOM 435 OD1 ASP A 30 15.571 8.776 -1.059 1.00 0.00 O ATOM 436 OD2 ASP A 30 16.737 9.005 0.736 1.00 0.00 O ATOM 0 H ASP A 30 12.816 9.755 0.612 1.00 0.00 H new ATOM 0 HA ASP A 30 13.682 7.416 -0.889 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.346 8.683 1.795 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.936 7.084 1.387 1.00 0.00 H new ATOM 441 N ALA A 31 12.455 5.558 0.200 1.00 0.00 N ATOM 442 CA ALA A 31 11.630 4.475 0.730 1.00 0.00 C ATOM 443 C ALA A 31 11.973 4.178 2.187 1.00 0.00 C ATOM 444 O ALA A 31 11.082 3.901 2.999 1.00 0.00 O ATOM 445 CB ALA A 31 11.820 3.209 -0.105 1.00 0.00 C ATOM 0 H ALA A 31 13.023 5.298 -0.606 1.00 0.00 H new ATOM 0 HA ALA A 31 10.590 4.796 0.678 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.200 2.409 0.300 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.529 3.407 -1.137 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.867 2.907 -0.075 1.00 0.00 H new ATOM 451 N ALA A 32 13.256 4.259 2.525 1.00 0.00 N ATOM 452 CA ALA A 32 13.698 3.993 3.885 1.00 0.00 C ATOM 453 C ALA A 32 13.150 5.017 4.865 1.00 0.00 C ATOM 454 O ALA A 32 13.234 4.829 6.078 1.00 0.00 O ATOM 455 CB ALA A 32 15.224 4.006 3.931 1.00 0.00 C ATOM 0 H ALA A 32 14.004 4.506 1.877 1.00 0.00 H new ATOM 0 HA ALA A 32 13.319 3.014 4.179 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.559 3.807 4.949 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.615 3.238 3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.589 4.983 3.613 1.00 0.00 H new ATOM 461 N THR A 33 12.594 6.105 4.346 1.00 0.00 N ATOM 462 CA THR A 33 12.040 7.149 5.205 1.00 0.00 C ATOM 463 C THR A 33 10.672 7.570 4.706 1.00 0.00 C ATOM 464 O THR A 33 10.324 8.748 4.736 1.00 0.00 O ATOM 465 CB THR A 33 12.990 8.350 5.240 1.00 0.00 C ATOM 466 OG1 THR A 33 13.523 8.564 3.945 1.00 0.00 O ATOM 467 CG2 THR A 33 14.136 8.067 6.221 1.00 0.00 C ATOM 0 H THR A 33 12.514 6.288 3.346 1.00 0.00 H new ATOM 0 HA THR A 33 11.930 6.756 6.216 1.00 0.00 H new ATOM 0 HB THR A 33 12.445 9.237 5.563 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.384 8.103 3.865 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.813 8.921 6.246 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.728 7.897 7.218 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.682 7.181 5.897 1.00 0.00 H new ATOM 475 N ILE A 34 9.884 6.604 4.246 1.00 0.00 N ATOM 476 CA ILE A 34 8.550 6.944 3.758 1.00 0.00 C ATOM 477 C ILE A 34 7.592 7.126 4.919 1.00 0.00 C ATOM 478 O ILE A 34 7.245 8.252 5.268 1.00 0.00 O ATOM 479 CB ILE A 34 8.052 5.840 2.796 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.515 6.181 1.376 1.00 0.00 C ATOM 481 CG2 ILE A 34 6.526 5.690 2.781 1.00 0.00 C ATOM 482 CD1 ILE A 34 7.730 7.366 0.768 1.00 0.00 C ATOM 0 H ILE A 34 10.131 5.615 4.200 1.00 0.00 H new ATOM 0 HA ILE A 34 8.596 7.887 3.213 1.00 0.00 H new ATOM 0 HB ILE A 34 8.469 4.897 3.150 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.578 6.423 1.392 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.397 5.305 0.738 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.245 4.899 2.086 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.176 5.435 3.781 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.071 6.629 2.465 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.097 7.567 -0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.670 7.116 0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.869 8.251 1.388 1.00 0.00 H new ATOM 494 N ALA A 35 7.158 6.013 5.483 1.00 0.00 N ATOM 495 CA ALA A 35 6.212 6.034 6.573 1.00 0.00 C ATOM 496 C ALA A 35 5.799 4.616 6.945 1.00 0.00 C ATOM 497 O ALA A 35 4.719 4.421 7.494 1.00 0.00 O ATOM 498 CB ALA A 35 4.950 6.823 6.181 1.00 0.00 C ATOM 0 H ALA A 35 7.451 5.079 5.198 1.00 0.00 H new ATOM 0 HA ALA A 35 6.696 6.515 7.423 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.249 6.827 7.016 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.224 7.848 5.933 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.481 6.353 5.316 1.00 0.00 H new ATOM 504 N THR A 36 6.617 3.617 6.587 1.00 0.00 N ATOM 505 CA THR A 36 6.282 2.214 6.859 1.00 0.00 C ATOM 506 C THR A 36 5.550 2.070 8.185 1.00 0.00 C ATOM 507 O THR A 36 4.592 1.308 8.291 1.00 0.00 O ATOM 508 CB THR A 36 7.577 1.411 6.929 1.00 0.00 C ATOM 509 OG1 THR A 36 8.209 1.681 8.174 1.00 0.00 O ATOM 510 CG2 THR A 36 8.517 1.821 5.788 1.00 0.00 C ATOM 0 H THR A 36 7.509 3.753 6.112 1.00 0.00 H new ATOM 0 HA THR A 36 5.633 1.850 6.062 1.00 0.00 H new ATOM 0 HB THR A 36 7.352 0.348 6.836 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.043 1.170 8.235 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.438 1.241 5.849 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.031 1.632 4.831 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.751 2.882 5.873 1.00 0.00 H new ATOM 518 N ASP A 37 5.989 2.808 9.196 1.00 0.00 N ATOM 519 CA ASP A 37 5.347 2.758 10.504 1.00 0.00 C ATOM 520 C ASP A 37 4.357 3.909 10.667 1.00 0.00 C ATOM 521 O ASP A 37 3.508 3.886 11.555 1.00 0.00 O ATOM 522 CB ASP A 37 6.419 2.864 11.585 1.00 0.00 C ATOM 523 CG ASP A 37 7.339 1.652 11.511 1.00 0.00 C ATOM 524 OD1 ASP A 37 6.911 0.643 10.978 1.00 0.00 O ATOM 525 OD2 ASP A 37 8.456 1.753 11.988 1.00 0.00 O ATOM 0 H ASP A 37 6.783 3.446 9.137 1.00 0.00 H new ATOM 0 HA ASP A 37 4.804 1.817 10.594 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.995 3.780 11.452 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.954 2.921 12.569 1.00 0.00 H new ATOM 530 N LEU A 38 4.481 4.930 9.821 1.00 0.00 N ATOM 531 CA LEU A 38 3.599 6.100 9.906 1.00 0.00 C ATOM 532 C LEU A 38 2.476 6.015 8.866 1.00 0.00 C ATOM 533 O LEU A 38 2.605 5.348 7.840 1.00 0.00 O ATOM 534 CB LEU A 38 4.431 7.383 9.678 1.00 0.00 C ATOM 535 CG LEU A 38 5.127 7.810 10.985 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.387 8.611 10.657 1.00 0.00 C ATOM 537 CD2 LEU A 38 4.187 8.670 11.833 1.00 0.00 C ATOM 0 H LEU A 38 5.175 4.975 9.075 1.00 0.00 H new ATOM 0 HA LEU A 38 3.144 6.126 10.896 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.176 7.208 8.902 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.784 8.186 9.324 1.00 0.00 H new ATOM 0 HG LEU A 38 5.394 6.915 11.548 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.878 8.912 11.582 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.067 7.995 10.069 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.115 9.498 10.085 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.693 8.964 12.753 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.905 9.562 11.273 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.292 8.098 12.078 1.00 0.00 H new ATOM 549 N PRO A 39 1.382 6.684 9.105 1.00 0.00 N ATOM 550 CA PRO A 39 0.247 6.700 8.149 1.00 0.00 C ATOM 551 C PRO A 39 0.582 7.509 6.892 1.00 0.00 C ATOM 552 O PRO A 39 1.665 8.085 6.774 1.00 0.00 O ATOM 553 CB PRO A 39 -0.893 7.351 8.950 1.00 0.00 C ATOM 554 CG PRO A 39 -0.213 8.188 9.986 1.00 0.00 C ATOM 555 CD PRO A 39 1.092 7.473 10.317 1.00 0.00 C ATOM 0 HA PRO A 39 -0.009 5.705 7.785 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.529 7.959 8.307 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.532 6.597 9.410 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -0.022 9.194 9.611 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.837 8.292 10.874 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.892 8.181 10.533 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.986 6.834 11.194 1.00 0.00 H new ATOM 563 N LEU A 40 -0.372 7.562 5.976 1.00 0.00 N ATOM 564 CA LEU A 40 -0.207 8.323 4.741 1.00 0.00 C ATOM 565 C LEU A 40 -0.352 9.818 4.999 1.00 0.00 C ATOM 566 O LEU A 40 0.144 10.647 4.236 1.00 0.00 O ATOM 567 CB LEU A 40 -1.240 7.867 3.694 1.00 0.00 C ATOM 568 CG LEU A 40 -2.654 8.367 4.052 1.00 0.00 C ATOM 569 CD1 LEU A 40 -3.624 7.992 2.935 1.00 0.00 C ATOM 570 CD2 LEU A 40 -3.106 7.733 5.367 1.00 0.00 C ATOM 0 H LEU A 40 -1.271 7.088 6.062 1.00 0.00 H new ATOM 0 HA LEU A 40 0.796 8.136 4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.956 8.243 2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.241 6.779 3.630 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.638 9.451 4.166 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.624 8.345 3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.301 8.454 2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.641 6.909 2.816 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.106 8.088 5.618 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.122 6.648 5.261 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.413 8.010 6.161 1.00 0.00 H new ATOM 582 N THR A 41 -1.065 10.154 6.070 1.00 0.00 N ATOM 583 CA THR A 41 -1.305 11.546 6.412 1.00 0.00 C ATOM 584 C THR A 41 -0.001 12.312 6.465 1.00 0.00 C ATOM 585 O THR A 41 0.037 13.495 6.146 1.00 0.00 O ATOM 586 CB THR A 41 -2.022 11.653 7.759 1.00 0.00 C ATOM 587 OG1 THR A 41 -3.052 10.679 7.821 1.00 0.00 O ATOM 588 CG2 THR A 41 -2.636 13.051 7.905 1.00 0.00 C ATOM 0 H THR A 41 -1.484 9.481 6.712 1.00 0.00 H new ATOM 0 HA THR A 41 -1.939 11.980 5.639 1.00 0.00 H new ATOM 0 HB THR A 41 -1.308 11.485 8.565 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.512 10.744 8.684 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.147 13.126 8.865 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.848 13.802 7.854 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.351 13.220 7.100 1.00 0.00 H new ATOM 596 N SER A 42 1.064 11.640 6.888 1.00 0.00 N ATOM 597 CA SER A 42 2.367 12.278 6.989 1.00 0.00 C ATOM 598 C SER A 42 2.677 13.087 5.727 1.00 0.00 C ATOM 599 O SER A 42 3.347 14.116 5.796 1.00 0.00 O ATOM 600 CB SER A 42 3.445 11.203 7.180 1.00 0.00 C ATOM 601 OG SER A 42 4.717 11.764 6.892 1.00 0.00 O ATOM 0 H SER A 42 1.049 10.658 7.165 1.00 0.00 H new ATOM 0 HA SER A 42 2.357 12.956 7.843 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.423 10.826 8.203 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.251 10.355 6.523 1.00 0.00 H new ATOM 0 HG SER A 42 5.410 11.082 7.014 1.00 0.00 H new ATOM 607 N TYR A 43 2.190 12.619 4.583 1.00 0.00 N ATOM 608 CA TYR A 43 2.428 13.309 3.317 1.00 0.00 C ATOM 609 C TYR A 43 1.612 14.595 3.240 1.00 0.00 C ATOM 610 O TYR A 43 1.790 15.404 2.329 1.00 0.00 O ATOM 611 CB TYR A 43 2.062 12.379 2.154 1.00 0.00 C ATOM 612 CG TYR A 43 2.543 10.975 2.436 1.00 0.00 C ATOM 613 CD1 TYR A 43 3.787 10.755 3.050 1.00 0.00 C ATOM 614 CD2 TYR A 43 1.745 9.880 2.075 1.00 0.00 C ATOM 615 CE1 TYR A 43 4.219 9.454 3.298 1.00 0.00 C ATOM 616 CE2 TYR A 43 2.191 8.582 2.325 1.00 0.00 C ATOM 617 CZ TYR A 43 3.418 8.373 2.934 1.00 0.00 C ATOM 618 OH TYR A 43 3.840 7.097 3.178 1.00 0.00 O ATOM 0 H TYR A 43 1.631 11.770 4.504 1.00 0.00 H new ATOM 0 HA TYR A 43 3.483 13.574 3.252 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.982 12.378 2.006 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.510 12.746 1.231 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.408 11.593 3.329 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.787 10.041 1.604 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.174 9.283 3.772 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.579 7.738 2.043 1.00 0.00 H new ATOM 0 HH TYR A 43 3.227 6.462 2.752 1.00 0.00 H new ATOM 628 N GLY A 44 0.742 14.792 4.214 1.00 0.00 N ATOM 629 CA GLY A 44 -0.069 15.999 4.262 1.00 0.00 C ATOM 630 C GLY A 44 -0.994 16.074 3.060 1.00 0.00 C ATOM 631 O GLY A 44 -1.513 17.139 2.729 1.00 0.00 O ATOM 0 H GLY A 44 0.578 14.137 4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.656 16.012 5.180 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.577 16.876 4.285 1.00 0.00 H new ATOM 635 N LEU A 45 -1.193 14.940 2.409 1.00 0.00 N ATOM 636 CA LEU A 45 -2.058 14.881 1.242 1.00 0.00 C ATOM 637 C LEU A 45 -3.511 15.226 1.591 1.00 0.00 C ATOM 638 O LEU A 45 -4.055 14.774 2.596 1.00 0.00 O ATOM 639 CB LEU A 45 -1.993 13.473 0.626 1.00 0.00 C ATOM 640 CG LEU A 45 -2.768 12.446 1.480 1.00 0.00 C ATOM 641 CD1 LEU A 45 -2.618 11.043 0.864 1.00 0.00 C ATOM 642 CD2 LEU A 45 -2.217 12.428 2.914 1.00 0.00 C ATOM 0 H LEU A 45 -0.768 14.049 2.668 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.705 15.621 0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.407 13.496 -0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.952 13.162 0.536 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.820 12.729 1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.166 10.320 1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.018 11.046 -0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.564 10.768 0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.771 11.700 3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.162 12.154 2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.327 13.417 3.358 1.00 0.00 H new ATOM 654 N ASP A 46 -4.137 16.030 0.753 1.00 0.00 N ATOM 655 CA ASP A 46 -5.521 16.410 0.993 1.00 0.00 C ATOM 656 C ASP A 46 -6.442 15.205 0.810 1.00 0.00 C ATOM 657 O ASP A 46 -5.982 14.086 0.579 1.00 0.00 O ATOM 658 CB ASP A 46 -5.928 17.512 0.027 1.00 0.00 C ATOM 659 CG ASP A 46 -5.209 18.806 0.389 1.00 0.00 C ATOM 660 OD1 ASP A 46 -4.675 18.876 1.483 1.00 0.00 O ATOM 661 OD2 ASP A 46 -5.199 19.703 -0.436 1.00 0.00 O ATOM 0 H ASP A 46 -3.720 16.429 -0.088 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.611 16.772 2.017 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.682 17.222 -0.995 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.007 17.662 0.065 1.00 0.00 H new ATOM 666 N SER A 47 -7.745 15.439 0.917 1.00 0.00 N ATOM 667 CA SER A 47 -8.725 14.367 0.759 1.00 0.00 C ATOM 668 C SER A 47 -8.851 13.964 -0.708 1.00 0.00 C ATOM 669 O SER A 47 -9.080 12.797 -1.025 1.00 0.00 O ATOM 670 CB SER A 47 -10.086 14.823 1.280 1.00 0.00 C ATOM 671 OG SER A 47 -11.012 13.749 1.176 1.00 0.00 O ATOM 0 H SER A 47 -8.147 16.356 1.111 1.00 0.00 H new ATOM 0 HA SER A 47 -8.385 13.505 1.333 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.001 15.146 2.317 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.439 15.680 0.707 1.00 0.00 H new ATOM 0 HG SER A 47 -11.887 14.038 1.511 1.00 0.00 H new ATOM 677 N VAL A 48 -8.706 14.941 -1.599 1.00 0.00 N ATOM 678 CA VAL A 48 -8.814 14.681 -3.030 1.00 0.00 C ATOM 679 C VAL A 48 -7.719 13.723 -3.484 1.00 0.00 C ATOM 680 O VAL A 48 -7.881 13.001 -4.467 1.00 0.00 O ATOM 681 CB VAL A 48 -8.701 15.993 -3.810 1.00 0.00 C ATOM 682 CG1 VAL A 48 -8.721 15.701 -5.313 1.00 0.00 C ATOM 683 CG2 VAL A 48 -9.880 16.901 -3.453 1.00 0.00 C ATOM 0 H VAL A 48 -8.515 15.913 -1.357 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.785 14.225 -3.225 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.766 16.489 -3.550 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.640 16.637 -5.867 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.882 15.054 -5.569 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.655 15.204 -5.575 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.800 17.836 -4.008 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.814 16.403 -3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.866 17.112 -2.384 1.00 0.00 H new ATOM 693 N TYR A 49 -6.606 13.718 -2.764 1.00 0.00 N ATOM 694 CA TYR A 49 -5.496 12.840 -3.111 1.00 0.00 C ATOM 695 C TYR A 49 -5.921 11.378 -3.034 1.00 0.00 C ATOM 696 O TYR A 49 -5.675 10.599 -3.952 1.00 0.00 O ATOM 697 CB TYR A 49 -4.315 13.094 -2.145 1.00 0.00 C ATOM 698 CG TYR A 49 -3.220 13.875 -2.831 1.00 0.00 C ATOM 699 CD1 TYR A 49 -3.514 15.102 -3.426 1.00 0.00 C ATOM 700 CD2 TYR A 49 -1.920 13.363 -2.873 1.00 0.00 C ATOM 701 CE1 TYR A 49 -2.506 15.819 -4.070 1.00 0.00 C ATOM 702 CE2 TYR A 49 -0.913 14.076 -3.505 1.00 0.00 C ATOM 703 CZ TYR A 49 -1.201 15.308 -4.110 1.00 0.00 C ATOM 704 OH TYR A 49 -0.204 16.014 -4.749 1.00 0.00 O ATOM 0 H TYR A 49 -6.447 14.305 -1.945 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.186 13.055 -4.134 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.666 13.642 -1.271 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.920 12.143 -1.788 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.519 15.495 -3.388 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.700 12.411 -2.413 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.730 16.767 -4.537 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.093 13.683 -3.531 1.00 0.00 H new ATOM 0 HH TYR A 49 0.640 15.520 -4.683 1.00 0.00 H new ATOM 714 N ALA A 50 -6.546 11.011 -1.929 1.00 0.00 N ATOM 715 CA ALA A 50 -6.975 9.639 -1.747 1.00 0.00 C ATOM 716 C ALA A 50 -7.724 9.166 -2.974 1.00 0.00 C ATOM 717 O ALA A 50 -7.487 8.074 -3.476 1.00 0.00 O ATOM 718 CB ALA A 50 -7.884 9.529 -0.518 1.00 0.00 C ATOM 0 H ALA A 50 -6.765 11.637 -1.154 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.095 9.014 -1.598 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.200 8.494 -0.391 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.338 9.853 0.368 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.761 10.162 -0.656 1.00 0.00 H new ATOM 724 N LEU A 51 -8.638 9.985 -3.450 1.00 0.00 N ATOM 725 CA LEU A 51 -9.422 9.599 -4.608 1.00 0.00 C ATOM 726 C LEU A 51 -8.533 9.044 -5.716 1.00 0.00 C ATOM 727 O LEU A 51 -8.610 7.860 -6.054 1.00 0.00 O ATOM 728 CB LEU A 51 -10.203 10.815 -5.139 1.00 0.00 C ATOM 729 CG LEU A 51 -11.399 10.387 -6.007 1.00 0.00 C ATOM 730 CD1 LEU A 51 -10.904 9.598 -7.234 1.00 0.00 C ATOM 731 CD2 LEU A 51 -12.401 9.553 -5.173 1.00 0.00 C ATOM 0 H LEU A 51 -8.855 10.904 -3.064 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.117 8.818 -4.300 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.558 11.414 -4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.537 11.449 -5.724 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.919 11.278 -6.360 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -11.757 9.299 -7.843 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.238 10.226 -7.826 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.366 8.710 -6.903 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.241 9.258 -5.802 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -11.903 8.662 -4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.765 10.151 -4.338 1.00 0.00 H new ATOM 743 N SER A 52 -7.700 9.896 -6.285 1.00 0.00 N ATOM 744 CA SER A 52 -6.829 9.467 -7.363 1.00 0.00 C ATOM 745 C SER A 52 -5.772 8.505 -6.864 1.00 0.00 C ATOM 746 O SER A 52 -5.534 7.461 -7.467 1.00 0.00 O ATOM 747 CB SER A 52 -6.176 10.690 -7.983 1.00 0.00 C ATOM 748 OG SER A 52 -5.660 10.354 -9.265 1.00 0.00 O ATOM 0 H SER A 52 -7.608 10.877 -6.023 1.00 0.00 H new ATOM 0 HA SER A 52 -7.423 8.943 -8.111 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.903 11.498 -8.072 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.374 11.052 -7.340 1.00 0.00 H new ATOM 0 HG SER A 52 -5.240 11.144 -9.666 1.00 0.00 H new ATOM 754 N ILE A 53 -5.133 8.870 -5.765 1.00 0.00 N ATOM 755 CA ILE A 53 -4.090 8.032 -5.199 1.00 0.00 C ATOM 756 C ILE A 53 -4.642 6.660 -4.845 1.00 0.00 C ATOM 757 O ILE A 53 -4.210 5.652 -5.393 1.00 0.00 O ATOM 758 CB ILE A 53 -3.514 8.704 -3.948 1.00 0.00 C ATOM 759 CG1 ILE A 53 -2.970 10.113 -4.304 1.00 0.00 C ATOM 760 CG2 ILE A 53 -2.401 7.829 -3.355 1.00 0.00 C ATOM 761 CD1 ILE A 53 -1.527 10.023 -4.833 1.00 0.00 C ATOM 0 H ILE A 53 -5.316 9.732 -5.251 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.299 7.905 -5.939 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.303 8.817 -3.205 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.610 10.576 -5.056 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.000 10.753 -3.422 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.994 8.311 -2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.809 6.855 -3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.608 7.699 -4.092 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.166 11.022 -5.076 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.886 9.581 -4.070 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.506 9.402 -5.728 1.00 0.00 H new ATOM 773 N ALA A 54 -5.596 6.629 -3.927 1.00 0.00 N ATOM 774 CA ALA A 54 -6.179 5.365 -3.514 1.00 0.00 C ATOM 775 C ALA A 54 -6.614 4.565 -4.734 1.00 0.00 C ATOM 776 O ALA A 54 -6.446 3.349 -4.773 1.00 0.00 O ATOM 777 CB ALA A 54 -7.381 5.607 -2.601 1.00 0.00 C ATOM 0 H ALA A 54 -5.977 7.452 -3.461 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.426 4.800 -2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.807 4.650 -2.300 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.061 6.156 -1.716 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.133 6.187 -3.136 1.00 0.00 H new ATOM 783 N ALA A 55 -7.140 5.265 -5.738 1.00 0.00 N ATOM 784 CA ALA A 55 -7.575 4.607 -6.967 1.00 0.00 C ATOM 785 C ALA A 55 -6.380 4.047 -7.739 1.00 0.00 C ATOM 786 O ALA A 55 -6.457 2.983 -8.334 1.00 0.00 O ATOM 787 CB ALA A 55 -8.339 5.596 -7.847 1.00 0.00 C ATOM 0 H ALA A 55 -7.274 6.276 -5.725 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.231 3.779 -6.696 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.660 5.097 -8.761 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.213 5.963 -7.308 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.690 6.435 -8.100 1.00 0.00 H new ATOM 793 N GLU A 56 -5.284 4.784 -7.742 1.00 0.00 N ATOM 794 CA GLU A 56 -4.092 4.343 -8.464 1.00 0.00 C ATOM 795 C GLU A 56 -3.457 3.122 -7.781 1.00 0.00 C ATOM 796 O GLU A 56 -3.123 2.125 -8.433 1.00 0.00 O ATOM 797 CB GLU A 56 -3.072 5.512 -8.534 1.00 0.00 C ATOM 798 CG GLU A 56 -2.906 5.999 -9.977 1.00 0.00 C ATOM 799 CD GLU A 56 -4.231 6.545 -10.488 1.00 0.00 C ATOM 800 OE1 GLU A 56 -5.115 6.754 -9.674 1.00 0.00 O ATOM 801 OE2 GLU A 56 -4.349 6.736 -11.686 1.00 0.00 O ATOM 0 H GLU A 56 -5.189 5.679 -7.262 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.380 4.050 -9.474 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.410 6.335 -7.904 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.109 5.185 -8.142 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.140 6.773 -10.024 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.570 5.179 -10.612 1.00 0.00 H new ATOM 808 N LEU A 57 -3.288 3.213 -6.472 1.00 0.00 N ATOM 809 CA LEU A 57 -2.672 2.129 -5.716 1.00 0.00 C ATOM 810 C LEU A 57 -3.493 0.860 -5.839 1.00 0.00 C ATOM 811 O LEU A 57 -2.959 -0.188 -6.154 1.00 0.00 O ATOM 812 CB LEU A 57 -2.598 2.537 -4.243 1.00 0.00 C ATOM 813 CG LEU A 57 -1.821 3.853 -4.098 1.00 0.00 C ATOM 814 CD1 LEU A 57 -1.936 4.349 -2.658 1.00 0.00 C ATOM 815 CD2 LEU A 57 -0.341 3.658 -4.438 1.00 0.00 C ATOM 0 H LEU A 57 -3.566 4.019 -5.912 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.674 1.940 -6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.604 2.653 -3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.111 1.752 -3.664 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.246 4.581 -4.789 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.386 5.284 -2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.985 4.515 -2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.520 3.603 -1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.186 4.606 -4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.093 2.920 -3.763 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.247 3.309 -5.466 1.00 0.00 H new ATOM 827 N GLU A 58 -4.785 0.966 -5.595 1.00 0.00 N ATOM 828 CA GLU A 58 -5.653 -0.202 -5.684 1.00 0.00 C ATOM 829 C GLU A 58 -5.796 -0.685 -7.129 1.00 0.00 C ATOM 830 O GLU A 58 -5.839 -1.884 -7.389 1.00 0.00 O ATOM 831 CB GLU A 58 -7.024 0.133 -5.118 1.00 0.00 C ATOM 832 CG GLU A 58 -7.687 1.264 -5.953 1.00 0.00 C ATOM 833 CD GLU A 58 -8.665 0.712 -6.989 1.00 0.00 C ATOM 834 OE1 GLU A 58 -8.262 -0.125 -7.776 1.00 0.00 O ATOM 835 OE2 GLU A 58 -9.808 1.140 -6.977 1.00 0.00 O ATOM 0 H GLU A 58 -5.256 1.833 -5.337 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.199 -1.004 -5.103 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.656 -0.755 -5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.930 0.446 -4.078 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.213 1.947 -5.286 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.914 1.844 -6.457 1.00 0.00 H new ATOM 842 N ASP A 59 -5.876 0.262 -8.061 1.00 0.00 N ATOM 843 CA ASP A 59 -6.023 -0.075 -9.479 1.00 0.00 C ATOM 844 C ASP A 59 -4.831 -0.894 -9.953 1.00 0.00 C ATOM 845 O ASP A 59 -4.942 -1.691 -10.882 1.00 0.00 O ATOM 846 CB ASP A 59 -6.141 1.204 -10.316 1.00 0.00 C ATOM 847 CG ASP A 59 -6.099 0.876 -11.804 1.00 0.00 C ATOM 848 OD1 ASP A 59 -6.366 -0.264 -12.146 1.00 0.00 O ATOM 849 OD2 ASP A 59 -5.791 1.768 -12.578 1.00 0.00 O ATOM 0 H ASP A 59 -5.842 1.262 -7.864 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.930 -0.667 -9.603 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.073 1.717 -10.077 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.328 1.886 -10.065 1.00 0.00 H new ATOM 854 N HIS A 60 -3.698 -0.695 -9.308 1.00 0.00 N ATOM 855 CA HIS A 60 -2.501 -1.434 -9.680 1.00 0.00 C ATOM 856 C HIS A 60 -2.657 -2.923 -9.340 1.00 0.00 C ATOM 857 O HIS A 60 -2.162 -3.788 -10.064 1.00 0.00 O ATOM 858 CB HIS A 60 -1.267 -0.830 -8.964 1.00 0.00 C ATOM 859 CG HIS A 60 -0.634 0.212 -9.832 1.00 0.00 C ATOM 860 ND1 HIS A 60 -1.299 1.374 -10.172 1.00 0.00 N ATOM 861 CD2 HIS A 60 0.592 0.284 -10.435 1.00 0.00 C ATOM 862 CE1 HIS A 60 -0.479 2.096 -10.950 1.00 0.00 C ATOM 863 NE2 HIS A 60 0.690 1.476 -11.143 1.00 0.00 N ATOM 0 H HIS A 60 -3.578 -0.040 -8.536 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.355 -1.351 -10.757 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.567 -0.390 -8.013 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.546 -1.616 -8.739 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -2.242 1.635 -9.884 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.364 -0.469 -10.371 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -0.732 3.059 -11.369 1.00 0.00 H new ATOM 872 N LEU A 61 -3.309 -3.215 -8.219 1.00 0.00 N ATOM 873 CA LEU A 61 -3.484 -4.593 -7.770 1.00 0.00 C ATOM 874 C LEU A 61 -4.891 -5.056 -8.071 1.00 0.00 C ATOM 875 O LEU A 61 -5.391 -5.990 -7.452 1.00 0.00 O ATOM 876 CB LEU A 61 -3.203 -4.702 -6.253 1.00 0.00 C ATOM 877 CG LEU A 61 -1.820 -4.117 -5.889 1.00 0.00 C ATOM 878 CD1 LEU A 61 -0.752 -4.572 -6.880 1.00 0.00 C ATOM 879 CD2 LEU A 61 -1.888 -2.593 -5.876 1.00 0.00 C ATOM 0 H LEU A 61 -3.725 -2.516 -7.604 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.777 -5.230 -8.302 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.979 -4.174 -5.699 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.249 -5.747 -5.948 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.549 -4.481 -4.898 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.211 -4.145 -6.599 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.684 -5.660 -6.868 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.019 -4.237 -7.882 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.910 -2.187 -5.619 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.182 -2.233 -6.862 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.621 -2.268 -5.138 1.00 0.00 H new ATOM 891 N ASP A 62 -5.523 -4.414 -9.047 1.00 0.00 N ATOM 892 CA ASP A 62 -6.872 -4.786 -9.443 1.00 0.00 C ATOM 893 C ASP A 62 -7.748 -5.061 -8.230 1.00 0.00 C ATOM 894 O ASP A 62 -8.200 -6.189 -8.030 1.00 0.00 O ATOM 895 CB ASP A 62 -6.815 -6.032 -10.297 1.00 0.00 C ATOM 896 CG ASP A 62 -6.223 -5.698 -11.668 1.00 0.00 C ATOM 897 OD1 ASP A 62 -6.093 -4.520 -11.965 1.00 0.00 O ATOM 898 OD2 ASP A 62 -5.918 -6.621 -12.405 1.00 0.00 O ATOM 0 H ASP A 62 -5.124 -3.638 -9.575 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.304 -3.956 -10.002 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.209 -6.793 -9.805 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.815 -6.448 -10.415 1.00 0.00 H new ATOM 903 N VAL A 63 -7.976 -4.037 -7.433 1.00 0.00 N ATOM 904 CA VAL A 63 -8.791 -4.174 -6.230 1.00 0.00 C ATOM 905 C VAL A 63 -9.479 -2.861 -5.904 1.00 0.00 C ATOM 906 O VAL A 63 -9.082 -1.812 -6.389 1.00 0.00 O ATOM 907 CB VAL A 63 -7.898 -4.585 -5.044 1.00 0.00 C ATOM 908 CG1 VAL A 63 -7.621 -6.077 -5.096 1.00 0.00 C ATOM 909 CG2 VAL A 63 -6.561 -3.846 -5.120 1.00 0.00 C ATOM 0 H VAL A 63 -7.611 -3.098 -7.592 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.547 -4.939 -6.407 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.415 -4.333 -4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.989 -6.359 -4.254 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.562 -6.624 -5.043 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.113 -6.320 -6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.934 -4.141 -4.279 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.058 -4.099 -6.053 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.737 -2.771 -5.082 1.00 0.00 H new ATOM 919 N SER A 64 -10.533 -2.930 -5.095 1.00 0.00 N ATOM 920 CA SER A 64 -11.277 -1.734 -4.701 1.00 0.00 C ATOM 921 C SER A 64 -11.336 -1.665 -3.181 1.00 0.00 C ATOM 922 O SER A 64 -11.346 -2.695 -2.502 1.00 0.00 O ATOM 923 CB SER A 64 -12.695 -1.779 -5.270 1.00 0.00 C ATOM 924 OG SER A 64 -13.521 -2.552 -4.411 1.00 0.00 O ATOM 0 H SER A 64 -10.892 -3.799 -4.699 1.00 0.00 H new ATOM 0 HA SER A 64 -10.773 -0.851 -5.094 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.094 -0.769 -5.365 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.684 -2.212 -6.270 1.00 0.00 H new ATOM 0 HG SER A 64 -14.432 -2.582 -4.772 1.00 0.00 H new ATOM 930 N LEU A 65 -11.352 -0.444 -2.647 1.00 0.00 N ATOM 931 CA LEU A 65 -11.387 -0.231 -1.192 1.00 0.00 C ATOM 932 C LEU A 65 -12.608 0.578 -0.824 1.00 0.00 C ATOM 933 O LEU A 65 -13.269 1.151 -1.690 1.00 0.00 O ATOM 934 CB LEU A 65 -10.111 0.503 -0.715 1.00 0.00 C ATOM 935 CG LEU A 65 -8.997 0.290 -1.741 1.00 0.00 C ATOM 936 CD1 LEU A 65 -9.246 1.168 -2.991 1.00 0.00 C ATOM 937 CD2 LEU A 65 -7.645 0.640 -1.103 1.00 0.00 C ATOM 0 H LEU A 65 -11.341 0.415 -3.196 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.432 -1.203 -0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.313 1.567 -0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.802 0.125 0.259 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.987 -0.754 -2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.446 1.007 -3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.201 0.898 -3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.266 2.218 -2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.849 0.489 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.652 1.682 -0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.473 -0.003 -0.240 1.00 0.00 H new ATOM 949 N ASP A 66 -12.907 0.624 0.470 1.00 0.00 N ATOM 950 CA ASP A 66 -14.066 1.370 0.941 1.00 0.00 C ATOM 951 C ASP A 66 -13.658 2.763 1.459 1.00 0.00 C ATOM 952 O ASP A 66 -12.533 2.959 1.909 1.00 0.00 O ATOM 953 CB ASP A 66 -14.777 0.562 2.056 1.00 0.00 C ATOM 954 CG ASP A 66 -16.177 0.127 1.597 1.00 0.00 C ATOM 955 OD1 ASP A 66 -16.289 -0.349 0.478 1.00 0.00 O ATOM 956 OD2 ASP A 66 -17.111 0.296 2.362 1.00 0.00 O ATOM 0 H ASP A 66 -12.370 0.160 1.202 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.752 1.518 0.107 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -14.183 -0.315 2.312 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.856 1.168 2.958 1.00 0.00 H new ATOM 961 N PRO A 67 -14.556 3.718 1.431 1.00 0.00 N ATOM 962 CA PRO A 67 -14.271 5.092 1.941 1.00 0.00 C ATOM 963 C PRO A 67 -13.667 5.085 3.355 1.00 0.00 C ATOM 964 O PRO A 67 -12.493 5.399 3.545 1.00 0.00 O ATOM 965 CB PRO A 67 -15.653 5.778 1.935 1.00 0.00 C ATOM 966 CG PRO A 67 -16.474 5.027 0.934 1.00 0.00 C ATOM 967 CD PRO A 67 -15.932 3.597 0.907 1.00 0.00 C ATOM 0 HA PRO A 67 -13.530 5.605 1.328 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -16.112 5.743 2.923 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -15.567 6.829 1.661 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -17.528 5.036 1.212 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -16.400 5.488 -0.051 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -16.535 2.931 1.524 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -15.938 3.188 -0.103 1.00 0.00 H new ATOM 975 N THR A 68 -14.489 4.739 4.340 1.00 0.00 N ATOM 976 CA THR A 68 -14.044 4.712 5.729 1.00 0.00 C ATOM 977 C THR A 68 -12.972 3.653 5.927 1.00 0.00 C ATOM 978 O THR A 68 -12.231 3.679 6.907 1.00 0.00 O ATOM 979 CB THR A 68 -15.231 4.421 6.652 1.00 0.00 C ATOM 980 OG1 THR A 68 -15.820 3.180 6.288 1.00 0.00 O ATOM 981 CG2 THR A 68 -16.272 5.537 6.524 1.00 0.00 C ATOM 0 H THR A 68 -15.464 4.474 4.203 1.00 0.00 H new ATOM 0 HA THR A 68 -13.623 5.687 5.975 1.00 0.00 H new ATOM 0 HB THR A 68 -14.882 4.371 7.683 1.00 0.00 H new ATOM 0 HG1 THR A 68 -16.579 2.992 6.879 1.00 0.00 H new ATOM 0 HG21 THR A 68 -17.115 5.326 7.182 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.821 6.489 6.805 1.00 0.00 H new ATOM 0 HG23 THR A 68 -16.622 5.592 5.493 1.00 0.00 H new ATOM 989 N LEU A 69 -12.893 2.726 4.985 1.00 0.00 N ATOM 990 CA LEU A 69 -11.896 1.667 5.060 1.00 0.00 C ATOM 991 C LEU A 69 -10.497 2.220 4.798 1.00 0.00 C ATOM 992 O LEU A 69 -9.540 1.872 5.487 1.00 0.00 O ATOM 993 CB LEU A 69 -12.232 0.562 4.060 1.00 0.00 C ATOM 994 CG LEU A 69 -11.207 -0.583 4.175 1.00 0.00 C ATOM 995 CD1 LEU A 69 -11.818 -1.848 3.570 1.00 0.00 C ATOM 996 CD2 LEU A 69 -9.865 -0.235 3.460 1.00 0.00 C ATOM 0 H LEU A 69 -13.500 2.684 4.167 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.909 1.248 6.066 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -13.236 0.182 4.249 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -12.228 0.964 3.047 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.975 -0.741 5.228 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.104 -2.668 3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.727 -2.108 4.112 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -12.059 -1.670 2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.170 -1.068 3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.053 -0.050 2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.432 0.657 3.913 1.00 0.00 H new ATOM 1008 N ILE A 70 -10.381 3.094 3.806 1.00 0.00 N ATOM 1009 CA ILE A 70 -9.091 3.681 3.473 1.00 0.00 C ATOM 1010 C ILE A 70 -8.486 4.350 4.700 1.00 0.00 C ATOM 1011 O ILE A 70 -7.279 4.279 4.930 1.00 0.00 O ATOM 1012 CB ILE A 70 -9.259 4.698 2.334 1.00 0.00 C ATOM 1013 CG1 ILE A 70 -9.611 3.959 1.036 1.00 0.00 C ATOM 1014 CG2 ILE A 70 -7.954 5.473 2.135 1.00 0.00 C ATOM 1015 CD1 ILE A 70 -10.183 4.950 0.017 1.00 0.00 C ATOM 0 H ILE A 70 -11.157 3.409 3.224 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.415 2.892 3.142 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.058 5.393 2.590 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.723 3.476 0.629 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -10.337 3.172 1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.078 6.193 1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.700 6.000 3.055 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.153 4.778 1.882 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.432 4.422 -0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -11.082 5.413 0.424 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.443 5.721 -0.196 1.00 0.00 H new ATOM 1027 N TRP A 71 -9.335 4.990 5.494 1.00 0.00 N ATOM 1028 CA TRP A 71 -8.873 5.656 6.701 1.00 0.00 C ATOM 1029 C TRP A 71 -8.668 4.639 7.823 1.00 0.00 C ATOM 1030 O TRP A 71 -8.169 4.981 8.899 1.00 0.00 O ATOM 1031 CB TRP A 71 -9.892 6.714 7.141 1.00 0.00 C ATOM 1032 CG TRP A 71 -9.841 7.876 6.201 1.00 0.00 C ATOM 1033 CD1 TRP A 71 -10.816 8.217 5.327 1.00 0.00 C ATOM 1034 CD2 TRP A 71 -8.769 8.846 6.017 1.00 0.00 C ATOM 1035 NE1 TRP A 71 -10.415 9.339 4.626 1.00 0.00 N ATOM 1036 CE2 TRP A 71 -9.159 9.764 5.013 1.00 0.00 C ATOM 1037 CE3 TRP A 71 -7.511 9.019 6.621 1.00 0.00 C ATOM 1038 CZ2 TRP A 71 -8.328 10.817 4.620 1.00 0.00 C ATOM 1039 CZ3 TRP A 71 -6.673 10.077 6.231 1.00 0.00 C ATOM 1040 CH2 TRP A 71 -7.080 10.973 5.232 1.00 0.00 C ATOM 0 H TRP A 71 -10.338 5.061 5.325 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.921 6.143 6.487 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.894 6.286 7.153 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.674 7.044 8.157 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.754 7.698 5.198 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.978 9.797 3.910 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.187 8.334 7.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -8.647 11.504 3.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.710 10.201 6.703 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.430 11.783 4.935 1.00 0.00 H new ATOM 1051 N ASP A 72 -9.053 3.386 7.564 1.00 0.00 N ATOM 1052 CA ASP A 72 -8.906 2.318 8.557 1.00 0.00 C ATOM 1053 C ASP A 72 -7.506 1.721 8.488 1.00 0.00 C ATOM 1054 O ASP A 72 -6.915 1.370 9.511 1.00 0.00 O ATOM 1055 CB ASP A 72 -9.946 1.223 8.322 1.00 0.00 C ATOM 1056 CG ASP A 72 -10.008 0.313 9.543 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -9.167 0.468 10.415 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -10.897 -0.520 9.594 1.00 0.00 O ATOM 0 H ASP A 72 -9.466 3.087 6.681 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.062 2.747 9.547 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.923 1.668 8.137 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.686 0.644 7.436 1.00 0.00 H new ATOM 1063 N HIS A 73 -6.972 1.631 7.268 1.00 0.00 N ATOM 1064 CA HIS A 73 -5.625 1.098 7.046 1.00 0.00 C ATOM 1065 C HIS A 73 -4.722 2.155 6.395 1.00 0.00 C ATOM 1066 O HIS A 73 -4.169 1.932 5.316 1.00 0.00 O ATOM 1067 CB HIS A 73 -5.711 -0.131 6.135 1.00 0.00 C ATOM 1068 CG HIS A 73 -6.837 -1.007 6.587 1.00 0.00 C ATOM 1069 ND1 HIS A 73 -7.183 -1.151 7.921 1.00 0.00 N ATOM 1070 CD2 HIS A 73 -7.719 -1.783 5.882 1.00 0.00 C ATOM 1071 CE1 HIS A 73 -8.237 -1.987 7.974 1.00 0.00 C ATOM 1072 NE2 HIS A 73 -8.601 -2.402 6.759 1.00 0.00 N ATOM 0 H HIS A 73 -7.453 1.921 6.416 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.195 0.820 8.009 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.869 0.179 5.102 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.772 -0.684 6.162 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.724 -0.706 8.716 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.727 -1.896 4.808 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.728 -2.285 8.888 1.00 0.00 H new ATOM 1081 N PRO A 74 -4.562 3.290 7.035 1.00 0.00 N ATOM 1082 CA PRO A 74 -3.708 4.408 6.525 1.00 0.00 C ATOM 1083 C PRO A 74 -2.221 4.100 6.641 1.00 0.00 C ATOM 1084 O PRO A 74 -1.382 4.891 6.216 1.00 0.00 O ATOM 1085 CB PRO A 74 -4.087 5.591 7.429 1.00 0.00 C ATOM 1086 CG PRO A 74 -4.535 4.967 8.708 1.00 0.00 C ATOM 1087 CD PRO A 74 -5.188 3.643 8.318 1.00 0.00 C ATOM 0 HA PRO A 74 -3.876 4.597 5.465 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.237 6.254 7.589 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.880 6.191 6.983 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.692 4.804 9.380 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.241 5.612 9.232 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.010 2.875 9.071 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.268 3.747 8.218 1.00 0.00 H new ATOM 1095 N THR A 75 -1.905 2.941 7.209 1.00 0.00 N ATOM 1096 CA THR A 75 -0.508 2.528 7.382 1.00 0.00 C ATOM 1097 C THR A 75 -0.161 1.377 6.442 1.00 0.00 C ATOM 1098 O THR A 75 -1.005 0.542 6.118 1.00 0.00 O ATOM 1099 CB THR A 75 -0.267 2.092 8.837 1.00 0.00 C ATOM 1100 OG1 THR A 75 -1.375 1.321 9.285 1.00 0.00 O ATOM 1101 CG2 THR A 75 -0.109 3.321 9.736 1.00 0.00 C ATOM 0 H THR A 75 -2.590 2.271 7.557 1.00 0.00 H new ATOM 0 HA THR A 75 0.131 3.378 7.143 1.00 0.00 H new ATOM 0 HB THR A 75 0.644 1.496 8.885 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.224 1.040 10.212 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.061 3.000 10.764 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.740 3.914 9.396 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.015 3.925 9.690 1.00 0.00 H new ATOM 1109 N ILE A 76 1.092 1.354 6.014 1.00 0.00 N ATOM 1110 CA ILE A 76 1.564 0.311 5.111 1.00 0.00 C ATOM 1111 C ILE A 76 1.464 -1.048 5.783 1.00 0.00 C ATOM 1112 O ILE A 76 1.034 -2.023 5.169 1.00 0.00 O ATOM 1113 CB ILE A 76 3.018 0.584 4.696 1.00 0.00 C ATOM 1114 CG1 ILE A 76 3.054 1.841 3.804 1.00 0.00 C ATOM 1115 CG2 ILE A 76 3.588 -0.633 3.925 1.00 0.00 C ATOM 1116 CD1 ILE A 76 4.479 2.394 3.708 1.00 0.00 C ATOM 0 H ILE A 76 1.799 2.042 6.275 1.00 0.00 H new ATOM 0 HA ILE A 76 0.937 0.313 4.219 1.00 0.00 H new ATOM 0 HB ILE A 76 3.629 0.747 5.584 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.685 1.597 2.808 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.390 2.602 4.212 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.619 -0.430 3.635 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.558 -1.515 4.564 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.989 -0.811 3.032 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.483 3.281 3.074 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.835 2.658 4.704 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.135 1.637 3.277 1.00 0.00 H new ATOM 1128 N ASP A 77 1.870 -1.110 7.042 1.00 0.00 N ATOM 1129 CA ASP A 77 1.828 -2.361 7.780 1.00 0.00 C ATOM 1130 C ASP A 77 0.420 -2.951 7.736 1.00 0.00 C ATOM 1131 O ASP A 77 0.238 -4.140 7.449 1.00 0.00 O ATOM 1132 CB ASP A 77 2.241 -2.108 9.233 1.00 0.00 C ATOM 1133 CG ASP A 77 3.747 -1.887 9.331 1.00 0.00 C ATOM 1134 OD1 ASP A 77 4.423 -2.080 8.334 1.00 0.00 O ATOM 1135 OD2 ASP A 77 4.201 -1.529 10.405 1.00 0.00 O ATOM 0 H ASP A 77 2.230 -0.315 7.570 1.00 0.00 H new ATOM 0 HA ASP A 77 2.519 -3.070 7.323 1.00 0.00 H new ATOM 0 HB2 ASP A 77 1.714 -1.236 9.620 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.951 -2.957 9.852 1.00 0.00 H new ATOM 1140 N ALA A 78 -0.575 -2.116 8.005 1.00 0.00 N ATOM 1141 CA ALA A 78 -1.955 -2.572 7.979 1.00 0.00 C ATOM 1142 C ALA A 78 -2.363 -2.931 6.559 1.00 0.00 C ATOM 1143 O ALA A 78 -3.014 -3.953 6.326 1.00 0.00 O ATOM 1144 CB ALA A 78 -2.878 -1.472 8.523 1.00 0.00 C ATOM 0 H ALA A 78 -0.453 -1.131 8.241 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.044 -3.459 8.606 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.911 -1.820 8.501 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.597 -1.235 9.549 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.783 -0.579 7.906 1.00 0.00 H new ATOM 1150 N LEU A 79 -2.013 -2.070 5.615 1.00 0.00 N ATOM 1151 CA LEU A 79 -2.390 -2.299 4.231 1.00 0.00 C ATOM 1152 C LEU A 79 -1.786 -3.609 3.737 1.00 0.00 C ATOM 1153 O LEU A 79 -2.443 -4.389 3.049 1.00 0.00 O ATOM 1154 CB LEU A 79 -1.899 -1.136 3.352 1.00 0.00 C ATOM 1155 CG LEU A 79 -2.878 -0.871 2.189 1.00 0.00 C ATOM 1156 CD1 LEU A 79 -3.170 -2.171 1.409 1.00 0.00 C ATOM 1157 CD2 LEU A 79 -4.205 -0.273 2.742 1.00 0.00 C ATOM 0 H LEU A 79 -1.476 -1.218 5.779 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.476 -2.360 4.167 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.796 -0.236 3.958 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.911 -1.368 2.955 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.417 -0.158 1.505 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.862 -1.959 0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.240 -2.567 1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.614 -2.906 2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.892 -0.088 1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.658 -0.977 3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.995 0.665 3.256 1.00 0.00 H new ATOM 1169 N SER A 80 -0.528 -3.838 4.096 1.00 0.00 N ATOM 1170 CA SER A 80 0.155 -5.051 3.682 1.00 0.00 C ATOM 1171 C SER A 80 -0.560 -6.271 4.238 1.00 0.00 C ATOM 1172 O SER A 80 -0.774 -7.247 3.524 1.00 0.00 O ATOM 1173 CB SER A 80 1.598 -5.027 4.174 1.00 0.00 C ATOM 1174 OG SER A 80 1.603 -4.917 5.591 1.00 0.00 O ATOM 0 H SER A 80 0.032 -3.205 4.667 1.00 0.00 H new ATOM 0 HA SER A 80 0.149 -5.105 2.593 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.116 -5.935 3.865 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.133 -4.188 3.730 1.00 0.00 H new ATOM 0 HG SER A 80 0.787 -4.463 5.887 1.00 0.00 H new ATOM 1180 N THR A 81 -0.933 -6.204 5.514 1.00 0.00 N ATOM 1181 CA THR A 81 -1.628 -7.317 6.157 1.00 0.00 C ATOM 1182 C THR A 81 -2.923 -7.633 5.403 1.00 0.00 C ATOM 1183 O THR A 81 -3.266 -8.796 5.169 1.00 0.00 O ATOM 1184 CB THR A 81 -1.949 -6.960 7.610 1.00 0.00 C ATOM 1185 OG1 THR A 81 -0.739 -6.766 8.328 1.00 0.00 O ATOM 1186 CG2 THR A 81 -2.749 -8.096 8.250 1.00 0.00 C ATOM 0 H THR A 81 -0.768 -5.399 6.118 1.00 0.00 H new ATOM 0 HA THR A 81 -0.982 -8.195 6.138 1.00 0.00 H new ATOM 0 HB THR A 81 -2.538 -6.043 7.638 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.349 -5.901 8.083 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.978 -7.842 9.285 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.678 -8.243 7.699 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.162 -9.014 8.223 1.00 0.00 H new ATOM 1194 N ALA A 82 -3.645 -6.595 5.026 1.00 0.00 N ATOM 1195 CA ALA A 82 -4.883 -6.790 4.295 1.00 0.00 C ATOM 1196 C ALA A 82 -4.595 -7.304 2.880 1.00 0.00 C ATOM 1197 O ALA A 82 -5.312 -8.174 2.349 1.00 0.00 O ATOM 1198 CB ALA A 82 -5.645 -5.466 4.210 1.00 0.00 C ATOM 0 H ALA A 82 -3.401 -5.622 5.210 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.487 -7.528 4.823 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.574 -5.616 3.660 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.871 -5.111 5.216 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.033 -4.727 3.693 1.00 0.00 H new ATOM 1204 N LEU A 83 -3.545 -6.767 2.250 1.00 0.00 N ATOM 1205 CA LEU A 83 -3.208 -7.173 0.900 1.00 0.00 C ATOM 1206 C LEU A 83 -2.836 -8.650 0.858 1.00 0.00 C ATOM 1207 O LEU A 83 -3.363 -9.404 0.049 1.00 0.00 O ATOM 1208 CB LEU A 83 -2.030 -6.307 0.381 1.00 0.00 C ATOM 1209 CG LEU A 83 -2.178 -6.064 -1.118 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -0.978 -5.259 -1.613 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -2.253 -7.409 -1.844 1.00 0.00 C ATOM 0 H LEU A 83 -2.928 -6.062 2.653 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.077 -7.025 0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.007 -5.355 0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.083 -6.808 0.584 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.091 -5.504 -1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.076 -5.081 -2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.939 -4.304 -1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.061 -5.817 -1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.359 -7.239 -2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.341 -7.976 -1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.112 -7.972 -1.479 1.00 0.00 H new ATOM 1223 N VAL A 84 -1.923 -9.057 1.733 1.00 0.00 N ATOM 1224 CA VAL A 84 -1.497 -10.448 1.769 1.00 0.00 C ATOM 1225 C VAL A 84 -2.682 -11.339 2.109 1.00 0.00 C ATOM 1226 O VAL A 84 -2.770 -12.477 1.642 1.00 0.00 O ATOM 1227 CB VAL A 84 -0.381 -10.636 2.802 1.00 0.00 C ATOM 1228 CG1 VAL A 84 -0.918 -10.329 4.191 1.00 0.00 C ATOM 1229 CG2 VAL A 84 0.135 -12.077 2.757 1.00 0.00 C ATOM 0 H VAL A 84 -1.470 -8.452 2.418 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.111 -10.726 0.788 1.00 0.00 H new ATOM 0 HB VAL A 84 0.439 -9.957 2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.124 -10.463 4.926 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.273 -9.299 4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.742 -11.005 4.420 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.928 -12.203 3.494 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.682 -12.763 2.982 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.526 -12.292 1.763 1.00 0.00 H new ATOM 1239 N ALA A 85 -3.596 -10.819 2.924 1.00 0.00 N ATOM 1240 CA ALA A 85 -4.771 -11.581 3.313 1.00 0.00 C ATOM 1241 C ALA A 85 -5.574 -11.975 2.084 1.00 0.00 C ATOM 1242 O ALA A 85 -6.135 -13.068 2.019 1.00 0.00 O ATOM 1243 CB ALA A 85 -5.644 -10.740 4.234 1.00 0.00 C ATOM 0 H ALA A 85 -3.544 -9.882 3.323 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.447 -12.483 3.833 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.524 -11.313 4.524 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.077 -10.469 5.125 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.956 -9.835 3.713 1.00 0.00 H new