USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=17 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 -33:sc= -7.58! USER MOD Set 1.2: A 26 HIS : no HD1:sc= -4.77! C(o=-12!,f=-21!) USER MOD Single : A 11 THR OG1 : rot 28:sc= 0.141 USER MOD Single : A 14 SER OG : rot -84:sc= 0.305 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.634 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0569 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.612 USER MOD Single : A 42 SER OG : rot 80:sc= 0.612 USER MOD Single : A 43 TYR OH : rot -173:sc= -1.63! 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 HD1:sc= -1.78 K(o=-1.8,f=-0.89) 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= -1.11 K(o=-1.1,f=-3.5!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -78:sc= 0.691 USER MOD Single : A 81 THR OG1 : rot 60:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 136 N THR A 11 4.603 -12.292 -2.561 1.00 0.00 N ATOM 137 CA THR A 11 4.942 -12.697 -1.198 1.00 0.00 C ATOM 138 C THR A 11 4.871 -11.504 -0.255 1.00 0.00 C ATOM 139 O THR A 11 4.857 -10.358 -0.694 1.00 0.00 O ATOM 140 CB THR A 11 6.351 -13.296 -1.165 1.00 0.00 C ATOM 141 OG1 THR A 11 6.417 -14.391 -2.068 1.00 0.00 O ATOM 142 CG2 THR A 11 6.671 -13.782 0.251 1.00 0.00 C ATOM 0 HA THR A 11 4.223 -13.448 -0.871 1.00 0.00 H new ATOM 0 HB THR A 11 7.076 -12.536 -1.457 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.772 -14.256 -2.793 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.674 -14.208 0.272 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.619 -12.943 0.944 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.948 -14.542 0.547 1.00 0.00 H new ATOM 150 N LEU A 12 4.816 -11.781 1.040 1.00 0.00 N ATOM 151 CA LEU A 12 4.719 -10.718 2.030 1.00 0.00 C ATOM 152 C LEU A 12 5.791 -9.665 1.781 1.00 0.00 C ATOM 153 O LEU A 12 5.524 -8.463 1.864 1.00 0.00 O ATOM 154 CB LEU A 12 4.906 -11.310 3.438 1.00 0.00 C ATOM 155 CG LEU A 12 3.602 -11.963 3.905 1.00 0.00 C ATOM 156 CD1 LEU A 12 3.291 -13.174 3.018 1.00 0.00 C ATOM 157 CD2 LEU A 12 3.756 -12.421 5.358 1.00 0.00 C ATOM 0 H LEU A 12 4.837 -12.724 1.427 1.00 0.00 H new ATOM 0 HA LEU A 12 3.737 -10.252 1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.709 -12.047 3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.201 -10.526 4.136 1.00 0.00 H new ATOM 0 HG LEU A 12 2.787 -11.242 3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.363 -13.639 3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.184 -12.849 1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.105 -13.896 3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.829 -12.886 5.693 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.570 -13.143 5.428 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.979 -11.561 5.989 1.00 0.00 H new ATOM 169 N ASP A 13 6.995 -10.115 1.474 1.00 0.00 N ATOM 170 CA ASP A 13 8.084 -9.189 1.212 1.00 0.00 C ATOM 171 C ASP A 13 7.845 -8.443 -0.090 1.00 0.00 C ATOM 172 O ASP A 13 8.158 -7.265 -0.193 1.00 0.00 O ATOM 173 CB ASP A 13 9.415 -9.932 1.126 1.00 0.00 C ATOM 174 CG ASP A 13 9.474 -11.004 2.210 1.00 0.00 C ATOM 175 OD1 ASP A 13 9.004 -10.737 3.304 1.00 0.00 O ATOM 176 OD2 ASP A 13 9.980 -12.079 1.930 1.00 0.00 O ATOM 0 H ASP A 13 7.242 -11.102 1.400 1.00 0.00 H new ATOM 0 HA ASP A 13 8.123 -8.477 2.036 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.525 -10.389 0.142 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.242 -9.232 1.247 1.00 0.00 H new ATOM 181 N SER A 14 7.282 -9.140 -1.085 1.00 0.00 N ATOM 182 CA SER A 14 7.010 -8.518 -2.373 1.00 0.00 C ATOM 183 C SER A 14 5.953 -7.436 -2.228 1.00 0.00 C ATOM 184 O SER A 14 6.040 -6.374 -2.856 1.00 0.00 O ATOM 185 CB SER A 14 6.542 -9.560 -3.370 1.00 0.00 C ATOM 186 OG SER A 14 5.206 -9.935 -3.064 1.00 0.00 O ATOM 0 H SER A 14 7.012 -10.121 -1.019 1.00 0.00 H new ATOM 0 HA SER A 14 7.932 -8.064 -2.737 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.597 -9.162 -4.383 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.194 -10.433 -3.335 1.00 0.00 H new ATOM 0 HG SER A 14 5.211 -10.622 -2.365 1.00 0.00 H new ATOM 192 N LEU A 15 4.939 -7.700 -1.421 1.00 0.00 N ATOM 193 CA LEU A 15 3.895 -6.714 -1.228 1.00 0.00 C ATOM 194 C LEU A 15 4.435 -5.563 -0.379 1.00 0.00 C ATOM 195 O LEU A 15 4.573 -4.438 -0.854 1.00 0.00 O ATOM 196 CB LEU A 15 2.700 -7.358 -0.525 1.00 0.00 C ATOM 197 CG LEU A 15 2.226 -8.561 -1.337 1.00 0.00 C ATOM 198 CD1 LEU A 15 1.132 -9.292 -0.560 1.00 0.00 C ATOM 199 CD2 LEU A 15 1.682 -8.096 -2.701 1.00 0.00 C ATOM 0 H LEU A 15 4.819 -8.569 -0.901 1.00 0.00 H new ATOM 0 HA LEU A 15 3.574 -6.331 -2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.980 -7.671 0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.892 -6.634 -0.420 1.00 0.00 H new ATOM 0 HG LEU A 15 3.064 -9.236 -1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.790 -10.152 -1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.530 -9.630 0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.295 -8.616 -0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.346 -8.961 -3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.844 -7.416 -2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.470 -7.581 -3.251 1.00 0.00 H new ATOM 211 N ARG A 16 4.726 -5.856 0.878 1.00 0.00 N ATOM 212 CA ARG A 16 5.221 -4.829 1.796 1.00 0.00 C ATOM 213 C ARG A 16 6.144 -3.846 1.068 1.00 0.00 C ATOM 214 O ARG A 16 5.942 -2.623 1.133 1.00 0.00 O ATOM 215 CB ARG A 16 5.996 -5.495 2.933 1.00 0.00 C ATOM 216 CG ARG A 16 6.652 -4.426 3.843 1.00 0.00 C ATOM 217 CD ARG A 16 8.136 -4.247 3.489 1.00 0.00 C ATOM 218 NE ARG A 16 8.781 -3.387 4.470 1.00 0.00 N ATOM 219 CZ ARG A 16 9.176 -3.864 5.643 1.00 0.00 C ATOM 220 NH1 ARG A 16 8.981 -5.121 5.937 1.00 0.00 N ATOM 221 NH2 ARG A 16 9.756 -3.073 6.504 1.00 0.00 N ATOM 0 H ARG A 16 4.631 -6.785 1.288 1.00 0.00 H new ATOM 0 HA ARG A 16 4.367 -4.280 2.193 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.324 -6.119 3.522 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.763 -6.151 2.522 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.129 -3.476 3.731 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.555 -4.722 4.888 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.632 -5.217 3.462 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.231 -3.813 2.494 1.00 0.00 H new ATOM 0 HE ARG A 16 8.932 -2.402 4.252 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.525 -5.737 5.264 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.285 -5.487 6.839 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.905 -2.090 6.274 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.061 -3.437 7.407 1.00 0.00 H new ATOM 235 N VAL A 17 7.144 -4.382 0.368 1.00 0.00 N ATOM 236 CA VAL A 17 8.083 -3.544 -0.371 1.00 0.00 C ATOM 237 C VAL A 17 7.337 -2.747 -1.443 1.00 0.00 C ATOM 238 O VAL A 17 7.674 -1.594 -1.717 1.00 0.00 O ATOM 239 CB VAL A 17 9.155 -4.428 -1.028 1.00 0.00 C ATOM 240 CG1 VAL A 17 9.882 -5.268 0.050 1.00 0.00 C ATOM 241 CG2 VAL A 17 8.476 -5.348 -2.030 1.00 0.00 C ATOM 0 H VAL A 17 7.322 -5.384 0.298 1.00 0.00 H new ATOM 0 HA VAL A 17 8.563 -2.848 0.317 1.00 0.00 H new ATOM 0 HB VAL A 17 9.891 -3.803 -1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.640 -5.891 -0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.358 -4.602 0.770 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.160 -5.902 0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.224 -5.983 -2.506 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.745 -5.971 -1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.972 -4.750 -2.789 1.00 0.00 H new ATOM 251 N TRP A 18 6.320 -3.363 -2.050 1.00 0.00 N ATOM 252 CA TRP A 18 5.541 -2.669 -3.078 1.00 0.00 C ATOM 253 C TRP A 18 4.886 -1.408 -2.504 1.00 0.00 C ATOM 254 O TRP A 18 4.990 -0.326 -3.075 1.00 0.00 O ATOM 255 CB TRP A 18 4.450 -3.627 -3.643 1.00 0.00 C ATOM 256 CG TRP A 18 3.067 -3.157 -3.262 1.00 0.00 C ATOM 257 CD1 TRP A 18 2.301 -3.652 -2.254 1.00 0.00 C ATOM 258 CD2 TRP A 18 2.289 -2.076 -3.849 1.00 0.00 C ATOM 259 NE1 TRP A 18 1.131 -2.950 -2.190 1.00 0.00 N ATOM 260 CE2 TRP A 18 1.068 -1.977 -3.146 1.00 0.00 C ATOM 261 CE3 TRP A 18 2.508 -1.187 -4.918 1.00 0.00 C ATOM 262 CZ2 TRP A 18 0.121 -1.031 -3.464 1.00 0.00 C ATOM 263 CZ3 TRP A 18 1.542 -0.234 -5.244 1.00 0.00 C ATOM 264 CH2 TRP A 18 0.351 -0.166 -4.519 1.00 0.00 C ATOM 0 H TRP A 18 6.021 -4.318 -1.854 1.00 0.00 H new ATOM 0 HA TRP A 18 6.213 -2.369 -3.883 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.534 -3.679 -4.729 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.613 -4.635 -3.262 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.574 -4.471 -1.606 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.393 -3.131 -1.510 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.425 -1.242 -5.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.794 -0.964 -2.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.716 0.453 -6.059 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.396 0.567 -4.784 1.00 0.00 H new ATOM 275 N LEU A 19 4.187 -1.573 -1.386 1.00 0.00 N ATOM 276 CA LEU A 19 3.491 -0.457 -0.756 1.00 0.00 C ATOM 277 C LEU A 19 4.445 0.690 -0.489 1.00 0.00 C ATOM 278 O LEU A 19 4.258 1.799 -0.997 1.00 0.00 O ATOM 279 CB LEU A 19 2.859 -0.937 0.572 1.00 0.00 C ATOM 280 CG LEU A 19 1.321 -1.106 0.431 1.00 0.00 C ATOM 281 CD1 LEU A 19 0.855 -2.336 1.201 1.00 0.00 C ATOM 282 CD2 LEU A 19 0.615 0.149 0.968 1.00 0.00 C ATOM 0 H LEU A 19 4.088 -2.464 -0.900 1.00 0.00 H new ATOM 0 HA LEU A 19 2.711 -0.101 -1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.306 -1.885 0.869 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.078 -0.220 1.363 1.00 0.00 H new ATOM 0 HG LEU A 19 1.071 -1.238 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.224 -2.444 1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.349 -3.223 0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.106 -2.222 2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.464 0.030 0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.870 0.288 2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.938 1.020 0.398 1.00 0.00 H new ATOM 294 N VAL A 20 5.469 0.433 0.311 1.00 0.00 N ATOM 295 CA VAL A 20 6.419 1.479 0.630 1.00 0.00 C ATOM 296 C VAL A 20 7.059 2.024 -0.638 1.00 0.00 C ATOM 297 O VAL A 20 7.130 3.237 -0.832 1.00 0.00 O ATOM 298 CB VAL A 20 7.500 0.919 1.560 1.00 0.00 C ATOM 299 CG1 VAL A 20 8.147 -0.308 0.911 1.00 0.00 C ATOM 300 CG2 VAL A 20 8.560 1.988 1.808 1.00 0.00 C ATOM 0 H VAL A 20 5.659 -0.472 0.742 1.00 0.00 H new ATOM 0 HA VAL A 20 5.894 2.293 1.129 1.00 0.00 H new ATOM 0 HB VAL A 20 7.050 0.629 2.509 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.916 -0.706 1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.388 -1.070 0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.598 -0.022 -0.039 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.330 1.591 2.470 1.00 0.00 H new ATOM 0 HG22 VAL A 20 9.012 2.279 0.860 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.097 2.859 2.272 1.00 0.00 H new ATOM 310 N ASP A 21 7.528 1.126 -1.491 1.00 0.00 N ATOM 311 CA ASP A 21 8.170 1.544 -2.726 1.00 0.00 C ATOM 312 C ASP A 21 7.213 2.382 -3.566 1.00 0.00 C ATOM 313 O ASP A 21 7.626 3.330 -4.239 1.00 0.00 O ATOM 314 CB ASP A 21 8.609 0.315 -3.521 1.00 0.00 C ATOM 315 CG ASP A 21 9.345 0.740 -4.787 1.00 0.00 C ATOM 316 OD1 ASP A 21 9.379 1.928 -5.059 1.00 0.00 O ATOM 317 OD2 ASP A 21 9.862 -0.131 -5.468 1.00 0.00 O ATOM 0 H ASP A 21 7.477 0.117 -1.353 1.00 0.00 H new ATOM 0 HA ASP A 21 9.043 2.149 -2.479 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.257 -0.311 -2.908 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.739 -0.287 -3.783 1.00 0.00 H new ATOM 322 N CYS A 22 5.933 2.033 -3.515 1.00 0.00 N ATOM 323 CA CYS A 22 4.928 2.765 -4.275 1.00 0.00 C ATOM 324 C CYS A 22 4.872 4.216 -3.824 1.00 0.00 C ATOM 325 O CYS A 22 4.900 5.130 -4.647 1.00 0.00 O ATOM 326 CB CYS A 22 3.554 2.124 -4.083 1.00 0.00 C ATOM 327 SG CYS A 22 2.366 2.903 -5.201 1.00 0.00 S ATOM 0 H CYS A 22 5.570 1.257 -2.962 1.00 0.00 H new ATOM 0 HA CYS A 22 5.203 2.729 -5.329 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.609 1.054 -4.282 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.228 2.240 -3.050 1.00 0.00 H new ATOM 0 HG CYS A 22 2.679 4.154 -5.363 1.00 0.00 H new ATOM 333 N VAL A 23 4.778 4.428 -2.516 1.00 0.00 N ATOM 334 CA VAL A 23 4.703 5.787 -1.994 1.00 0.00 C ATOM 335 C VAL A 23 5.982 6.550 -2.348 1.00 0.00 C ATOM 336 O VAL A 23 5.924 7.683 -2.823 1.00 0.00 O ATOM 337 CB VAL A 23 4.543 5.753 -0.474 1.00 0.00 C ATOM 338 CG1 VAL A 23 4.384 7.179 0.096 1.00 0.00 C ATOM 339 CG2 VAL A 23 3.327 4.908 -0.088 1.00 0.00 C ATOM 0 H VAL A 23 4.752 3.692 -1.810 1.00 0.00 H new ATOM 0 HA VAL A 23 3.843 6.288 -2.439 1.00 0.00 H new ATOM 0 HB VAL A 23 5.443 5.306 -0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.272 7.128 1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.267 7.770 -0.150 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.501 7.648 -0.338 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.225 4.892 0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.429 5.339 -0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.460 3.890 -0.455 1.00 0.00 H new ATOM 349 N ALA A 24 7.139 5.928 -2.108 1.00 0.00 N ATOM 350 CA ALA A 24 8.412 6.577 -2.403 1.00 0.00 C ATOM 351 C ALA A 24 8.403 7.124 -3.819 1.00 0.00 C ATOM 352 O ALA A 24 8.731 8.281 -4.044 1.00 0.00 O ATOM 353 CB ALA A 24 9.558 5.572 -2.254 1.00 0.00 C ATOM 0 H ALA A 24 7.218 4.990 -1.716 1.00 0.00 H new ATOM 0 HA ALA A 24 8.556 7.398 -1.701 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.505 6.064 -2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.578 5.191 -1.233 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.408 4.744 -2.947 1.00 0.00 H new ATOM 359 N GLY A 25 8.031 6.281 -4.769 1.00 0.00 N ATOM 360 CA GLY A 25 7.987 6.705 -6.162 1.00 0.00 C ATOM 361 C GLY A 25 6.973 7.827 -6.352 1.00 0.00 C ATOM 362 O GLY A 25 7.239 8.805 -7.055 1.00 0.00 O ATOM 0 H GLY A 25 7.758 5.312 -4.606 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.974 7.044 -6.476 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.724 5.859 -6.797 1.00 0.00 H new ATOM 366 N HIS A 26 5.801 7.680 -5.741 1.00 0.00 N ATOM 367 CA HIS A 26 4.757 8.690 -5.874 1.00 0.00 C ATOM 368 C HIS A 26 5.265 10.065 -5.461 1.00 0.00 C ATOM 369 O HIS A 26 5.181 11.020 -6.235 1.00 0.00 O ATOM 370 CB HIS A 26 3.562 8.315 -4.990 1.00 0.00 C ATOM 371 CG HIS A 26 2.826 7.149 -5.589 1.00 0.00 C ATOM 372 ND1 HIS A 26 3.021 6.750 -6.901 1.00 0.00 N ATOM 373 CD2 HIS A 26 1.889 6.292 -5.070 1.00 0.00 C ATOM 374 CE1 HIS A 26 2.218 5.695 -7.126 1.00 0.00 C ATOM 375 NE2 HIS A 26 1.507 5.376 -6.043 1.00 0.00 N ATOM 0 H HIS A 26 5.552 6.882 -5.156 1.00 0.00 H new ATOM 0 HA HIS A 26 4.456 8.728 -6.921 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.906 8.062 -3.987 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.890 9.168 -4.891 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.507 6.324 -4.060 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.156 5.170 -8.068 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.828 4.621 -5.949 1.00 0.00 H new ATOM 384 N LEU A 27 5.798 10.172 -4.243 1.00 0.00 N ATOM 385 CA LEU A 27 6.314 11.453 -3.769 1.00 0.00 C ATOM 386 C LEU A 27 7.726 11.701 -4.291 1.00 0.00 C ATOM 387 O LEU A 27 8.104 12.835 -4.578 1.00 0.00 O ATOM 388 CB LEU A 27 6.319 11.459 -2.240 1.00 0.00 C ATOM 389 CG LEU A 27 4.919 11.099 -1.726 1.00 0.00 C ATOM 390 CD1 LEU A 27 4.931 11.051 -0.193 1.00 0.00 C ATOM 391 CD2 LEU A 27 3.902 12.152 -2.198 1.00 0.00 C ATOM 0 H LEU A 27 5.882 9.402 -3.579 1.00 0.00 H new ATOM 0 HA LEU A 27 5.670 12.249 -4.142 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.051 10.744 -1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.613 12.441 -1.870 1.00 0.00 H new ATOM 0 HG LEU A 27 4.634 10.123 -2.119 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.936 10.795 0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.644 10.298 0.142 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.221 12.026 0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.910 11.890 -1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.186 13.131 -1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.888 12.182 -3.288 1.00 0.00 H new ATOM 403 N GLY A 28 8.500 10.628 -4.406 1.00 0.00 N ATOM 404 CA GLY A 28 9.881 10.708 -4.887 1.00 0.00 C ATOM 405 C GLY A 28 10.875 10.694 -3.724 1.00 0.00 C ATOM 406 O GLY A 28 12.086 10.700 -3.935 1.00 0.00 O ATOM 0 H GLY A 28 8.195 9.683 -4.171 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.086 9.870 -5.553 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.013 11.619 -5.471 1.00 0.00 H new ATOM 410 N LEU A 29 10.356 10.686 -2.496 1.00 0.00 N ATOM 411 CA LEU A 29 11.210 10.682 -1.315 1.00 0.00 C ATOM 412 C LEU A 29 11.910 9.336 -1.174 1.00 0.00 C ATOM 413 O LEU A 29 11.774 8.462 -2.030 1.00 0.00 O ATOM 414 CB LEU A 29 10.378 10.961 -0.058 1.00 0.00 C ATOM 415 CG LEU A 29 9.527 12.215 -0.271 1.00 0.00 C ATOM 416 CD1 LEU A 29 8.678 12.472 0.978 1.00 0.00 C ATOM 417 CD2 LEU A 29 10.431 13.427 -0.539 1.00 0.00 C ATOM 0 H LEU A 29 9.356 10.682 -2.297 1.00 0.00 H new ATOM 0 HA LEU A 29 11.960 11.465 -1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.737 10.108 0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.034 11.097 0.802 1.00 0.00 H new ATOM 0 HG LEU A 29 8.875 12.063 -1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.071 13.365 0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.027 11.617 1.158 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.331 12.618 1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.815 14.314 -0.689 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.092 13.584 0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.029 13.245 -1.432 1.00 0.00 H new ATOM 429 N ASP A 30 12.666 9.177 -0.093 1.00 0.00 N ATOM 430 CA ASP A 30 13.390 7.929 0.148 1.00 0.00 C ATOM 431 C ASP A 30 12.482 6.893 0.808 1.00 0.00 C ATOM 432 O ASP A 30 11.822 7.179 1.808 1.00 0.00 O ATOM 433 CB ASP A 30 14.599 8.191 1.041 1.00 0.00 C ATOM 434 CG ASP A 30 15.381 6.900 1.251 1.00 0.00 C ATOM 435 OD1 ASP A 30 14.905 5.866 0.816 1.00 0.00 O ATOM 436 OD2 ASP A 30 16.446 6.968 1.843 1.00 0.00 O ATOM 0 H ASP A 30 12.795 9.889 0.626 1.00 0.00 H new ATOM 0 HA ASP A 30 13.725 7.538 -0.813 1.00 0.00 H new ATOM 0 HB2 ASP A 30 15.241 8.945 0.586 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.272 8.589 2.002 1.00 0.00 H new ATOM 441 N ALA A 31 12.460 5.695 0.245 1.00 0.00 N ATOM 442 CA ALA A 31 11.637 4.617 0.779 1.00 0.00 C ATOM 443 C ALA A 31 12.030 4.286 2.214 1.00 0.00 C ATOM 444 O ALA A 31 11.173 3.959 3.044 1.00 0.00 O ATOM 445 CB ALA A 31 11.781 3.364 -0.087 1.00 0.00 C ATOM 0 H ALA A 31 13.002 5.443 -0.582 1.00 0.00 H new ATOM 0 HA ALA A 31 10.600 4.953 0.769 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.162 2.566 0.322 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.461 3.586 -1.105 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.823 3.046 -0.096 1.00 0.00 H new ATOM 451 N ALA A 32 13.320 4.393 2.517 1.00 0.00 N ATOM 452 CA ALA A 32 13.809 4.094 3.853 1.00 0.00 C ATOM 453 C ALA A 32 13.250 5.059 4.888 1.00 0.00 C ATOM 454 O ALA A 32 13.340 4.812 6.089 1.00 0.00 O ATOM 455 CB ALA A 32 15.338 4.164 3.865 1.00 0.00 C ATOM 0 H ALA A 32 14.041 4.684 1.856 1.00 0.00 H new ATOM 0 HA ALA A 32 13.474 3.090 4.115 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.705 3.940 4.867 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.741 3.437 3.160 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.659 5.165 3.577 1.00 0.00 H new ATOM 461 N THR A 33 12.673 6.156 4.420 1.00 0.00 N ATOM 462 CA THR A 33 12.100 7.147 5.326 1.00 0.00 C ATOM 463 C THR A 33 10.752 7.627 4.813 1.00 0.00 C ATOM 464 O THR A 33 10.412 8.804 4.934 1.00 0.00 O ATOM 465 CB THR A 33 13.068 8.332 5.475 1.00 0.00 C ATOM 466 OG1 THR A 33 13.707 8.576 4.236 1.00 0.00 O ATOM 467 CG2 THR A 33 14.125 8.002 6.537 1.00 0.00 C ATOM 0 H THR A 33 12.588 6.383 3.429 1.00 0.00 H new ATOM 0 HA THR A 33 11.947 6.685 6.301 1.00 0.00 H new ATOM 0 HB THR A 33 12.512 9.218 5.780 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.323 9.332 4.329 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.811 8.843 6.642 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.635 7.813 7.492 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.682 7.116 6.233 1.00 0.00 H new ATOM 475 N ILE A 34 9.982 6.715 4.237 1.00 0.00 N ATOM 476 CA ILE A 34 8.671 7.103 3.729 1.00 0.00 C ATOM 477 C ILE A 34 7.703 7.326 4.876 1.00 0.00 C ATOM 478 O ILE A 34 7.337 8.460 5.181 1.00 0.00 O ATOM 479 CB ILE A 34 8.148 6.011 2.759 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.541 6.391 1.328 1.00 0.00 C ATOM 481 CG2 ILE A 34 6.619 5.836 2.834 1.00 0.00 C ATOM 482 CD1 ILE A 34 7.702 7.574 0.816 1.00 0.00 C ATOM 0 H ILE A 34 10.229 5.733 4.111 1.00 0.00 H new ATOM 0 HA ILE A 34 8.758 8.042 3.182 1.00 0.00 H new ATOM 0 HB ILE A 34 8.599 5.063 3.053 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.599 6.651 1.296 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.404 5.533 0.670 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.307 5.060 2.135 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.335 5.548 3.846 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.132 6.776 2.574 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.004 7.821 -0.202 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.646 7.303 0.826 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.860 8.438 1.461 1.00 0.00 H new ATOM 494 N ALA A 35 7.259 6.236 5.482 1.00 0.00 N ATOM 495 CA ALA A 35 6.300 6.305 6.562 1.00 0.00 C ATOM 496 C ALA A 35 5.732 4.917 6.846 1.00 0.00 C ATOM 497 O ALA A 35 4.637 4.790 7.387 1.00 0.00 O ATOM 498 CB ALA A 35 5.153 7.260 6.181 1.00 0.00 C ATOM 0 H ALA A 35 7.552 5.290 5.239 1.00 0.00 H new ATOM 0 HA ALA A 35 6.801 6.678 7.455 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.433 7.308 6.998 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.556 8.255 5.993 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.657 6.893 5.282 1.00 0.00 H new ATOM 504 N THR A 36 6.450 3.861 6.452 1.00 0.00 N ATOM 505 CA THR A 36 5.965 2.498 6.653 1.00 0.00 C ATOM 506 C THR A 36 5.249 2.363 7.986 1.00 0.00 C ATOM 507 O THR A 36 4.238 1.670 8.093 1.00 0.00 O ATOM 508 CB THR A 36 7.155 1.534 6.637 1.00 0.00 C ATOM 509 OG1 THR A 36 7.961 1.775 7.782 1.00 0.00 O ATOM 510 CG2 THR A 36 7.989 1.765 5.376 1.00 0.00 C ATOM 0 H THR A 36 7.360 3.925 5.996 1.00 0.00 H new ATOM 0 HA THR A 36 5.265 2.262 5.852 1.00 0.00 H new ATOM 0 HB THR A 36 6.792 0.506 6.646 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.724 1.160 7.780 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.835 1.077 5.368 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.372 1.591 4.495 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.356 2.791 5.365 1.00 0.00 H new ATOM 518 N ASP A 37 5.759 3.045 9.012 1.00 0.00 N ATOM 519 CA ASP A 37 5.141 3.006 10.328 1.00 0.00 C ATOM 520 C ASP A 37 4.195 4.186 10.520 1.00 0.00 C ATOM 521 O ASP A 37 3.332 4.165 11.395 1.00 0.00 O ATOM 522 CB ASP A 37 6.230 3.058 11.403 1.00 0.00 C ATOM 523 CG ASP A 37 7.000 1.743 11.416 1.00 0.00 C ATOM 524 OD1 ASP A 37 6.531 0.800 10.802 1.00 0.00 O ATOM 525 OD2 ASP A 37 8.047 1.700 12.042 1.00 0.00 O ATOM 0 H ASP A 37 6.595 3.627 8.953 1.00 0.00 H new ATOM 0 HA ASP A 37 4.570 2.081 10.413 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.910 3.887 11.206 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.782 3.238 12.380 1.00 0.00 H new ATOM 530 N LEU A 38 4.366 5.219 9.701 1.00 0.00 N ATOM 531 CA LEU A 38 3.526 6.411 9.794 1.00 0.00 C ATOM 532 C LEU A 38 2.410 6.378 8.747 1.00 0.00 C ATOM 533 O LEU A 38 2.549 5.767 7.691 1.00 0.00 O ATOM 534 CB LEU A 38 4.392 7.669 9.584 1.00 0.00 C ATOM 535 CG LEU A 38 5.119 8.038 10.889 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.375 8.844 10.562 1.00 0.00 C ATOM 537 CD2 LEU A 38 4.200 8.877 11.783 1.00 0.00 C ATOM 0 H LEU A 38 5.075 5.256 8.968 1.00 0.00 H new ATOM 0 HA LEU A 38 3.070 6.435 10.784 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.119 7.491 8.792 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.766 8.500 9.260 1.00 0.00 H new ATOM 0 HG LEU A 38 5.393 7.123 11.414 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.890 9.106 11.486 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.037 8.248 9.934 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.095 9.755 10.032 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.723 9.133 12.704 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.918 9.791 11.260 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.304 8.305 12.022 1.00 0.00 H new ATOM 549 N PRO A 39 1.314 7.037 9.016 1.00 0.00 N ATOM 550 CA PRO A 39 0.168 7.103 8.066 1.00 0.00 C ATOM 551 C PRO A 39 0.524 7.899 6.807 1.00 0.00 C ATOM 552 O PRO A 39 1.629 8.427 6.684 1.00 0.00 O ATOM 553 CB PRO A 39 -0.938 7.800 8.877 1.00 0.00 C ATOM 554 CG PRO A 39 -0.221 8.575 9.933 1.00 0.00 C ATOM 555 CD PRO A 39 1.036 7.779 10.259 1.00 0.00 C ATOM 0 HA PRO A 39 -0.131 6.120 7.703 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.536 8.456 8.244 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.621 7.073 9.317 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.031 9.575 9.579 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.845 8.698 10.818 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.865 8.433 10.528 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.876 7.105 11.100 1.00 0.00 H new ATOM 563 N LEU A 40 -0.430 7.981 5.889 1.00 0.00 N ATOM 564 CA LEU A 40 -0.230 8.723 4.650 1.00 0.00 C ATOM 565 C LEU A 40 -0.270 10.222 4.905 1.00 0.00 C ATOM 566 O LEU A 40 0.269 11.009 4.129 1.00 0.00 O ATOM 567 CB LEU A 40 -1.314 8.341 3.628 1.00 0.00 C ATOM 568 CG LEU A 40 -2.683 8.893 4.058 1.00 0.00 C ATOM 569 CD1 LEU A 40 -3.696 8.654 2.942 1.00 0.00 C ATOM 570 CD2 LEU A 40 -3.147 8.197 5.342 1.00 0.00 C ATOM 0 H LEU A 40 -1.348 7.544 5.978 1.00 0.00 H new ATOM 0 HA LEU A 40 0.751 8.465 4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.050 8.734 2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.367 7.256 3.534 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.599 9.963 4.249 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.668 9.044 3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.366 9.162 2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.778 7.585 2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.118 8.593 5.640 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.232 7.125 5.164 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.422 8.377 6.136 1.00 0.00 H new ATOM 582 N THR A 41 -0.930 10.611 5.990 1.00 0.00 N ATOM 583 CA THR A 41 -1.061 12.020 6.324 1.00 0.00 C ATOM 584 C THR A 41 0.295 12.696 6.307 1.00 0.00 C ATOM 585 O THR A 41 0.406 13.864 5.943 1.00 0.00 O ATOM 586 CB THR A 41 -1.691 12.184 7.705 1.00 0.00 C ATOM 587 OG1 THR A 41 -0.930 11.459 8.657 1.00 0.00 O ATOM 588 CG2 THR A 41 -3.128 11.657 7.681 1.00 0.00 C ATOM 0 H THR A 41 -1.379 9.974 6.648 1.00 0.00 H new ATOM 0 HA THR A 41 -1.704 12.487 5.578 1.00 0.00 H new ATOM 0 HB THR A 41 -1.703 13.239 7.978 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.331 11.564 9.545 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.575 11.775 8.668 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.709 12.218 6.949 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.124 10.602 7.409 1.00 0.00 H new ATOM 596 N SER A 42 1.332 11.975 6.720 1.00 0.00 N ATOM 597 CA SER A 42 2.673 12.537 6.756 1.00 0.00 C ATOM 598 C SER A 42 2.988 13.286 5.462 1.00 0.00 C ATOM 599 O SER A 42 3.697 14.293 5.478 1.00 0.00 O ATOM 600 CB SER A 42 3.693 11.403 6.941 1.00 0.00 C ATOM 601 OG SER A 42 3.631 10.536 5.817 1.00 0.00 O ATOM 0 H SER A 42 1.268 11.006 7.032 1.00 0.00 H new ATOM 0 HA SER A 42 2.731 13.239 7.588 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.697 11.814 7.045 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.479 10.850 7.855 1.00 0.00 H new ATOM 0 HG SER A 42 4.132 10.930 5.072 1.00 0.00 H new ATOM 607 N TYR A 43 2.463 12.791 4.346 1.00 0.00 N ATOM 608 CA TYR A 43 2.701 13.423 3.054 1.00 0.00 C ATOM 609 C TYR A 43 1.962 14.752 2.952 1.00 0.00 C ATOM 610 O TYR A 43 2.184 15.529 2.022 1.00 0.00 O ATOM 611 CB TYR A 43 2.248 12.476 1.933 1.00 0.00 C ATOM 612 CG TYR A 43 2.637 11.050 2.265 1.00 0.00 C ATOM 613 CD1 TYR A 43 3.827 10.768 2.961 1.00 0.00 C ATOM 614 CD2 TYR A 43 1.800 9.997 1.870 1.00 0.00 C ATOM 615 CE1 TYR A 43 4.169 9.447 3.256 1.00 0.00 C ATOM 616 CE2 TYR A 43 2.150 8.675 2.165 1.00 0.00 C ATOM 617 CZ TYR A 43 3.332 8.402 2.860 1.00 0.00 C ATOM 618 OH TYR A 43 3.670 7.100 3.158 1.00 0.00 O ATOM 0 H TYR A 43 1.874 11.959 4.310 1.00 0.00 H new ATOM 0 HA TYR A 43 3.767 13.624 2.953 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.168 12.545 1.803 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.703 12.774 0.989 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.477 11.575 3.267 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.884 10.207 1.337 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.082 9.233 3.791 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.507 7.865 1.856 1.00 0.00 H new ATOM 0 HH TYR A 43 3.042 6.490 2.718 1.00 0.00 H new ATOM 628 N GLY A 44 1.110 15.016 3.926 1.00 0.00 N ATOM 629 CA GLY A 44 0.367 16.270 3.958 1.00 0.00 C ATOM 630 C GLY A 44 -0.557 16.385 2.758 1.00 0.00 C ATOM 631 O GLY A 44 -0.889 17.487 2.324 1.00 0.00 O ATOM 0 H GLY A 44 0.914 14.385 4.703 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.216 16.328 4.877 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.063 17.109 3.968 1.00 0.00 H new ATOM 635 N LEU A 45 -0.962 15.243 2.220 1.00 0.00 N ATOM 636 CA LEU A 45 -1.844 15.230 1.064 1.00 0.00 C ATOM 637 C LEU A 45 -3.301 15.507 1.454 1.00 0.00 C ATOM 638 O LEU A 45 -3.795 15.016 2.465 1.00 0.00 O ATOM 639 CB LEU A 45 -1.734 13.864 0.359 1.00 0.00 C ATOM 640 CG LEU A 45 -2.567 12.787 1.092 1.00 0.00 C ATOM 641 CD1 LEU A 45 -2.455 11.429 0.356 1.00 0.00 C ATOM 642 CD2 LEU A 45 -2.061 12.644 2.535 1.00 0.00 C ATOM 0 H LEU A 45 -0.696 14.320 2.563 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.533 16.026 0.388 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.078 13.955 -0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.689 13.555 0.320 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.614 13.091 1.103 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.046 10.680 0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.828 11.535 -0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.412 11.115 0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.648 11.885 3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.012 12.348 2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.164 13.598 3.053 1.00 0.00 H new ATOM 654 N ASP A 46 -3.986 16.292 0.647 1.00 0.00 N ATOM 655 CA ASP A 46 -5.381 16.605 0.933 1.00 0.00 C ATOM 656 C ASP A 46 -6.268 15.403 0.621 1.00 0.00 C ATOM 657 O ASP A 46 -5.800 14.393 0.108 1.00 0.00 O ATOM 658 CB ASP A 46 -5.825 17.800 0.098 1.00 0.00 C ATOM 659 CG ASP A 46 -5.161 19.068 0.620 1.00 0.00 C ATOM 660 OD1 ASP A 46 -4.627 19.025 1.717 1.00 0.00 O ATOM 661 OD2 ASP A 46 -5.192 20.061 -0.086 1.00 0.00 O ATOM 0 H ASP A 46 -3.612 16.721 -0.199 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.475 16.848 1.991 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.560 17.644 -0.948 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.909 17.902 0.140 1.00 0.00 H new ATOM 666 N SER A 47 -7.553 15.515 0.938 1.00 0.00 N ATOM 667 CA SER A 47 -8.492 14.425 0.685 1.00 0.00 C ATOM 668 C SER A 47 -8.556 14.114 -0.809 1.00 0.00 C ATOM 669 O SER A 47 -8.771 12.968 -1.207 1.00 0.00 O ATOM 670 CB SER A 47 -9.882 14.810 1.184 1.00 0.00 C ATOM 671 OG SER A 47 -10.308 15.990 0.518 1.00 0.00 O ATOM 0 H SER A 47 -7.967 16.342 1.367 1.00 0.00 H new ATOM 0 HA SER A 47 -8.147 13.539 1.218 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.586 13.999 0.998 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.862 14.973 2.261 1.00 0.00 H new ATOM 0 HG SER A 47 -11.201 16.240 0.834 1.00 0.00 H new ATOM 677 N VAL A 48 -8.374 15.145 -1.629 1.00 0.00 N ATOM 678 CA VAL A 48 -8.417 14.978 -3.078 1.00 0.00 C ATOM 679 C VAL A 48 -7.459 13.880 -3.514 1.00 0.00 C ATOM 680 O VAL A 48 -7.616 13.295 -4.579 1.00 0.00 O ATOM 681 CB VAL A 48 -8.045 16.290 -3.773 1.00 0.00 C ATOM 682 CG1 VAL A 48 -8.098 16.096 -5.290 1.00 0.00 C ATOM 683 CG2 VAL A 48 -9.039 17.377 -3.363 1.00 0.00 C ATOM 0 H VAL A 48 -8.196 16.100 -1.317 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.431 14.697 -3.362 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.038 16.586 -3.481 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.833 17.030 -5.786 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.393 15.318 -5.582 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.106 15.802 -5.584 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.778 18.314 -3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.045 17.080 -3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.004 17.514 -2.282 1.00 0.00 H new ATOM 693 N TYR A 49 -6.451 13.620 -2.695 1.00 0.00 N ATOM 694 CA TYR A 49 -5.473 12.588 -3.009 1.00 0.00 C ATOM 695 C TYR A 49 -6.017 11.205 -2.663 1.00 0.00 C ATOM 696 O TYR A 49 -5.705 10.223 -3.318 1.00 0.00 O ATOM 697 CB TYR A 49 -4.178 12.830 -2.220 1.00 0.00 C ATOM 698 CG TYR A 49 -3.330 13.869 -2.916 1.00 0.00 C ATOM 699 CD1 TYR A 49 -3.863 15.130 -3.207 1.00 0.00 C ATOM 700 CD2 TYR A 49 -2.010 13.570 -3.268 1.00 0.00 C ATOM 701 CE1 TYR A 49 -3.075 16.088 -3.851 1.00 0.00 C ATOM 702 CE2 TYR A 49 -1.224 14.524 -3.908 1.00 0.00 C ATOM 703 CZ TYR A 49 -1.754 15.788 -4.200 1.00 0.00 C ATOM 704 OH TYR A 49 -0.978 16.732 -4.840 1.00 0.00 O ATOM 0 H TYR A 49 -6.289 14.106 -1.813 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.266 12.633 -4.078 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.416 13.162 -1.209 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.621 11.898 -2.127 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.882 15.362 -2.934 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.600 12.597 -3.043 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.486 17.060 -4.079 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.205 14.290 -4.180 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.086 16.362 -5.009 1.00 0.00 H new ATOM 714 N ALA A 50 -6.821 11.130 -1.622 1.00 0.00 N ATOM 715 CA ALA A 50 -7.365 9.851 -1.201 1.00 0.00 C ATOM 716 C ALA A 50 -8.034 9.119 -2.360 1.00 0.00 C ATOM 717 O ALA A 50 -7.755 7.948 -2.601 1.00 0.00 O ATOM 718 CB ALA A 50 -8.386 10.069 -0.090 1.00 0.00 C ATOM 0 H ALA A 50 -7.111 11.928 -1.057 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.539 9.239 -0.840 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.793 9.108 0.224 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.903 10.553 0.759 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.194 10.702 -0.457 1.00 0.00 H new ATOM 724 N LEU A 51 -8.902 9.814 -3.070 1.00 0.00 N ATOM 725 CA LEU A 51 -9.595 9.211 -4.202 1.00 0.00 C ATOM 726 C LEU A 51 -8.616 8.863 -5.323 1.00 0.00 C ATOM 727 O LEU A 51 -8.684 7.780 -5.907 1.00 0.00 O ATOM 728 CB LEU A 51 -10.668 10.174 -4.722 1.00 0.00 C ATOM 729 CG LEU A 51 -10.011 11.500 -5.168 1.00 0.00 C ATOM 730 CD1 LEU A 51 -9.840 11.523 -6.692 1.00 0.00 C ATOM 731 CD2 LEU A 51 -10.881 12.685 -4.737 1.00 0.00 C ATOM 0 H LEU A 51 -9.145 10.788 -2.889 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.067 8.287 -3.866 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.200 9.722 -5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.405 10.367 -3.942 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.031 11.577 -4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.376 12.463 -6.992 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.206 10.691 -7.000 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.816 11.432 -7.169 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.411 13.616 -5.055 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -11.866 12.600 -5.197 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.986 12.684 -3.652 1.00 0.00 H new ATOM 743 N SER A 52 -7.701 9.786 -5.613 1.00 0.00 N ATOM 744 CA SER A 52 -6.720 9.568 -6.670 1.00 0.00 C ATOM 745 C SER A 52 -5.704 8.507 -6.267 1.00 0.00 C ATOM 746 O SER A 52 -5.481 7.538 -6.993 1.00 0.00 O ATOM 747 CB SER A 52 -5.992 10.881 -6.972 1.00 0.00 C ATOM 748 OG SER A 52 -5.447 10.823 -8.284 1.00 0.00 O ATOM 0 H SER A 52 -7.620 10.683 -5.135 1.00 0.00 H new ATOM 0 HA SER A 52 -7.247 9.220 -7.558 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.682 11.721 -6.889 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.199 11.047 -6.243 1.00 0.00 H new ATOM 0 HG SER A 52 -4.981 11.662 -8.482 1.00 0.00 H new ATOM 754 N ILE A 53 -5.090 8.704 -5.111 1.00 0.00 N ATOM 755 CA ILE A 53 -4.093 7.765 -4.621 1.00 0.00 C ATOM 756 C ILE A 53 -4.708 6.387 -4.420 1.00 0.00 C ATOM 757 O ILE A 53 -4.280 5.412 -5.030 1.00 0.00 O ATOM 758 CB ILE A 53 -3.522 8.268 -3.290 1.00 0.00 C ATOM 759 CG1 ILE A 53 -2.805 9.615 -3.513 1.00 0.00 C ATOM 760 CG2 ILE A 53 -2.543 7.234 -2.715 1.00 0.00 C ATOM 761 CD1 ILE A 53 -1.639 9.465 -4.498 1.00 0.00 C ATOM 0 H ILE A 53 -5.263 9.500 -4.498 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.295 7.689 -5.359 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.336 8.411 -2.579 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.515 10.349 -3.894 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.434 9.995 -2.561 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.142 7.599 -1.770 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.065 6.292 -2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.726 7.076 -3.419 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.152 10.431 -4.636 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.919 8.749 -4.103 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.016 9.109 -5.457 1.00 0.00 H new ATOM 773 N ALA A 54 -5.724 6.316 -3.573 1.00 0.00 N ATOM 774 CA ALA A 54 -6.379 5.042 -3.309 1.00 0.00 C ATOM 775 C ALA A 54 -6.760 4.365 -4.618 1.00 0.00 C ATOM 776 O ALA A 54 -6.602 3.154 -4.763 1.00 0.00 O ATOM 777 CB ALA A 54 -7.632 5.257 -2.466 1.00 0.00 C ATOM 0 H ALA A 54 -6.109 7.111 -3.063 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.684 4.404 -2.763 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.112 4.297 -2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.358 5.720 -1.518 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.323 5.908 -3.001 1.00 0.00 H new ATOM 783 N ALA A 55 -7.247 5.157 -5.567 1.00 0.00 N ATOM 784 CA ALA A 55 -7.634 4.621 -6.869 1.00 0.00 C ATOM 785 C ALA A 55 -6.412 4.122 -7.638 1.00 0.00 C ATOM 786 O ALA A 55 -6.485 3.130 -8.349 1.00 0.00 O ATOM 787 CB ALA A 55 -8.352 5.695 -7.684 1.00 0.00 C ATOM 0 H ALA A 55 -7.383 6.163 -5.462 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.307 3.780 -6.705 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.637 5.286 -8.653 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.245 6.020 -7.151 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.687 6.546 -7.830 1.00 0.00 H new ATOM 793 N GLU A 56 -5.300 4.830 -7.506 1.00 0.00 N ATOM 794 CA GLU A 56 -4.079 4.454 -8.213 1.00 0.00 C ATOM 795 C GLU A 56 -3.456 3.177 -7.634 1.00 0.00 C ATOM 796 O GLU A 56 -3.162 2.216 -8.365 1.00 0.00 O ATOM 797 CB GLU A 56 -3.064 5.598 -8.125 1.00 0.00 C ATOM 798 CG GLU A 56 -1.817 5.249 -8.944 1.00 0.00 C ATOM 799 CD GLU A 56 -0.842 6.422 -8.939 1.00 0.00 C ATOM 800 OE1 GLU A 56 -1.257 7.512 -8.583 1.00 0.00 O ATOM 801 OE2 GLU A 56 0.307 6.211 -9.292 1.00 0.00 O ATOM 0 H GLU A 56 -5.215 5.662 -6.922 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.342 4.259 -9.253 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.509 6.521 -8.498 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.790 5.774 -7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.335 4.364 -8.528 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.101 5.006 -9.968 1.00 0.00 H new ATOM 808 N LEU A 57 -3.274 3.169 -6.320 1.00 0.00 N ATOM 809 CA LEU A 57 -2.684 2.015 -5.650 1.00 0.00 C ATOM 810 C LEU A 57 -3.529 0.780 -5.875 1.00 0.00 C ATOM 811 O LEU A 57 -3.015 -0.234 -6.279 1.00 0.00 O ATOM 812 CB LEU A 57 -2.597 2.297 -4.144 1.00 0.00 C ATOM 813 CG LEU A 57 -1.852 3.616 -3.895 1.00 0.00 C ATOM 814 CD1 LEU A 57 -1.937 3.969 -2.413 1.00 0.00 C ATOM 815 CD2 LEU A 57 -0.378 3.486 -4.286 1.00 0.00 C ATOM 0 H LEU A 57 -3.523 3.940 -5.701 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.689 1.841 -6.060 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.599 2.350 -3.718 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.081 1.479 -3.642 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.314 4.396 -4.501 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.409 4.905 -2.231 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.982 4.080 -2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.480 3.174 -1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.132 4.432 -4.102 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.088 2.700 -3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.303 3.233 -5.344 1.00 0.00 H new ATOM 827 N GLU A 58 -4.814 0.881 -5.624 1.00 0.00 N ATOM 828 CA GLU A 58 -5.688 -0.271 -5.808 1.00 0.00 C ATOM 829 C GLU A 58 -5.758 -0.687 -7.277 1.00 0.00 C ATOM 830 O GLU A 58 -5.802 -1.877 -7.588 1.00 0.00 O ATOM 831 CB GLU A 58 -7.083 0.059 -5.305 1.00 0.00 C ATOM 832 CG GLU A 58 -7.711 1.168 -6.174 1.00 0.00 C ATOM 833 CD GLU A 58 -8.551 0.583 -7.314 1.00 0.00 C ATOM 834 OE1 GLU A 58 -8.264 -0.519 -7.741 1.00 0.00 O ATOM 835 OE2 GLU A 58 -9.469 1.260 -7.744 1.00 0.00 O ATOM 0 H GLU A 58 -5.278 1.729 -5.298 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.275 -1.103 -5.238 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.708 -0.833 -5.332 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.036 0.384 -4.265 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.336 1.808 -5.552 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.923 1.797 -6.588 1.00 0.00 H new ATOM 842 N ASP A 59 -5.787 0.298 -8.170 1.00 0.00 N ATOM 843 CA ASP A 59 -5.876 0.014 -9.602 1.00 0.00 C ATOM 844 C ASP A 59 -4.699 -0.851 -10.040 1.00 0.00 C ATOM 845 O ASP A 59 -4.800 -1.617 -10.998 1.00 0.00 O ATOM 846 CB ASP A 59 -5.876 1.330 -10.399 1.00 0.00 C ATOM 847 CG ASP A 59 -7.288 1.908 -10.476 1.00 0.00 C ATOM 848 OD1 ASP A 59 -8.152 1.405 -9.776 1.00 0.00 O ATOM 849 OD2 ASP A 59 -7.481 2.849 -11.229 1.00 0.00 O ATOM 0 H ASP A 59 -5.751 1.289 -7.933 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.804 -0.524 -9.796 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.208 2.049 -9.925 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.494 1.153 -11.404 1.00 0.00 H new ATOM 854 N HIS A 60 -3.592 -0.725 -9.323 1.00 0.00 N ATOM 855 CA HIS A 60 -2.408 -1.516 -9.646 1.00 0.00 C ATOM 856 C HIS A 60 -2.579 -2.977 -9.218 1.00 0.00 C ATOM 857 O HIS A 60 -2.077 -3.886 -9.875 1.00 0.00 O ATOM 858 CB HIS A 60 -1.175 -0.921 -8.968 1.00 0.00 C ATOM 859 CG HIS A 60 -0.789 0.349 -9.667 1.00 0.00 C ATOM 860 ND1 HIS A 60 -0.476 0.376 -11.016 1.00 0.00 N ATOM 861 CD2 HIS A 60 -0.668 1.639 -9.225 1.00 0.00 C ATOM 862 CE1 HIS A 60 -0.182 1.648 -11.336 1.00 0.00 C ATOM 863 NE2 HIS A 60 -0.283 2.460 -10.280 1.00 0.00 N ATOM 0 H HIS A 60 -3.486 -0.096 -8.527 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.276 -1.490 -10.728 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.384 -0.722 -7.917 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.350 -1.632 -9.000 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.844 1.969 -8.212 1.00 0.00 H new ATOM 0 HE1 HIS A 60 0.101 1.974 -12.326 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -0.114 3.466 -10.253 1.00 0.00 H new ATOM 872 N LEU A 61 -3.270 -3.188 -8.100 1.00 0.00 N ATOM 873 CA LEU A 61 -3.485 -4.537 -7.572 1.00 0.00 C ATOM 874 C LEU A 61 -4.879 -5.024 -7.910 1.00 0.00 C ATOM 875 O LEU A 61 -5.367 -5.979 -7.315 1.00 0.00 O ATOM 876 CB LEU A 61 -3.289 -4.553 -6.045 1.00 0.00 C ATOM 877 CG LEU A 61 -1.848 -4.148 -5.685 1.00 0.00 C ATOM 878 CD1 LEU A 61 -0.843 -5.063 -6.383 1.00 0.00 C ATOM 879 CD2 LEU A 61 -1.589 -2.705 -6.111 1.00 0.00 C ATOM 0 H LEU A 61 -3.691 -2.445 -7.542 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.755 -5.203 -8.033 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.994 -3.868 -5.574 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.502 -5.548 -5.655 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.727 -4.241 -4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.170 -4.761 -6.116 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.009 -6.093 -6.068 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.972 -4.988 -7.463 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.567 -2.427 -5.852 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.729 -2.613 -7.188 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.286 -2.043 -5.597 1.00 0.00 H new ATOM 891 N ASP A 62 -5.517 -4.386 -8.890 1.00 0.00 N ATOM 892 CA ASP A 62 -6.853 -4.794 -9.307 1.00 0.00 C ATOM 893 C ASP A 62 -7.733 -5.123 -8.113 1.00 0.00 C ATOM 894 O ASP A 62 -8.152 -6.267 -7.940 1.00 0.00 O ATOM 895 CB ASP A 62 -6.749 -6.020 -10.193 1.00 0.00 C ATOM 896 CG ASP A 62 -6.131 -5.643 -11.537 1.00 0.00 C ATOM 897 OD1 ASP A 62 -6.140 -4.465 -11.862 1.00 0.00 O ATOM 898 OD2 ASP A 62 -5.665 -6.534 -12.228 1.00 0.00 O ATOM 0 H ASP A 62 -5.133 -3.593 -9.404 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.305 -3.964 -9.850 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.141 -6.781 -9.705 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.738 -6.453 -10.347 1.00 0.00 H new ATOM 903 N VAL A 63 -8.003 -4.123 -7.293 1.00 0.00 N ATOM 904 CA VAL A 63 -8.827 -4.315 -6.105 1.00 0.00 C ATOM 905 C VAL A 63 -9.616 -3.057 -5.793 1.00 0.00 C ATOM 906 O VAL A 63 -9.251 -1.974 -6.216 1.00 0.00 O ATOM 907 CB VAL A 63 -7.923 -4.665 -4.907 1.00 0.00 C ATOM 908 CG1 VAL A 63 -7.562 -6.142 -4.946 1.00 0.00 C ATOM 909 CG2 VAL A 63 -6.623 -3.856 -4.975 1.00 0.00 C ATOM 0 H VAL A 63 -7.666 -3.169 -7.425 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.528 -5.129 -6.292 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.463 -4.431 -3.990 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.923 -6.383 -4.097 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.472 -6.740 -4.897 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.032 -6.363 -5.873 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.991 -4.111 -4.124 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.097 -4.090 -5.901 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.855 -2.791 -4.949 1.00 0.00 H new ATOM 919 N SER A 64 -10.716 -3.208 -5.064 1.00 0.00 N ATOM 920 CA SER A 64 -11.550 -2.061 -4.698 1.00 0.00 C ATOM 921 C SER A 64 -11.564 -1.918 -3.181 1.00 0.00 C ATOM 922 O SER A 64 -11.658 -2.909 -2.454 1.00 0.00 O ATOM 923 CB SER A 64 -12.973 -2.263 -5.207 1.00 0.00 C ATOM 924 OG SER A 64 -13.511 -3.449 -4.641 1.00 0.00 O ATOM 0 H SER A 64 -11.052 -4.105 -4.715 1.00 0.00 H new ATOM 0 HA SER A 64 -11.140 -1.158 -5.151 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.592 -1.406 -4.940 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.976 -2.332 -6.295 1.00 0.00 H new ATOM 0 HG SER A 64 -14.426 -3.580 -4.965 1.00 0.00 H new ATOM 930 N LEU A 65 -11.451 -0.680 -2.706 1.00 0.00 N ATOM 931 CA LEU A 65 -11.435 -0.405 -1.265 1.00 0.00 C ATOM 932 C LEU A 65 -12.685 0.362 -0.873 1.00 0.00 C ATOM 933 O LEU A 65 -13.390 0.898 -1.728 1.00 0.00 O ATOM 934 CB LEU A 65 -10.186 0.414 -0.883 1.00 0.00 C ATOM 935 CG LEU A 65 -9.083 0.177 -1.920 1.00 0.00 C ATOM 936 CD1 LEU A 65 -9.374 1.003 -3.197 1.00 0.00 C ATOM 937 CD2 LEU A 65 -7.726 0.587 -1.325 1.00 0.00 C ATOM 0 H LEU A 65 -11.369 0.150 -3.294 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.408 -1.355 -0.732 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.434 1.474 -0.836 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.837 0.124 0.108 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.055 -0.880 -2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.586 0.830 -3.930 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.333 0.699 -3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.408 2.063 -2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.940 0.419 -2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.751 1.643 -1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.523 -0.010 -0.436 1.00 0.00 H new ATOM 949 N ASP A 66 -12.956 0.409 0.424 1.00 0.00 N ATOM 950 CA ASP A 66 -14.130 1.112 0.921 1.00 0.00 C ATOM 951 C ASP A 66 -13.760 2.517 1.405 1.00 0.00 C ATOM 952 O ASP A 66 -12.589 2.818 1.611 1.00 0.00 O ATOM 953 CB ASP A 66 -14.765 0.292 2.063 1.00 0.00 C ATOM 954 CG ASP A 66 -16.089 -0.331 1.611 1.00 0.00 C ATOM 955 OD1 ASP A 66 -17.023 0.419 1.374 1.00 0.00 O ATOM 956 OD2 ASP A 66 -16.145 -1.544 1.503 1.00 0.00 O ATOM 0 H ASP A 66 -12.383 -0.028 1.146 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.851 1.222 0.111 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -14.078 -0.492 2.380 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.936 0.934 2.927 1.00 0.00 H new ATOM 961 N PRO A 67 -14.736 3.371 1.598 1.00 0.00 N ATOM 962 CA PRO A 67 -14.499 4.769 2.075 1.00 0.00 C ATOM 963 C PRO A 67 -13.833 4.808 3.458 1.00 0.00 C ATOM 964 O PRO A 67 -12.655 5.141 3.581 1.00 0.00 O ATOM 965 CB PRO A 67 -15.911 5.394 2.116 1.00 0.00 C ATOM 966 CG PRO A 67 -16.766 4.508 1.269 1.00 0.00 C ATOM 967 CD PRO A 67 -16.171 3.108 1.385 1.00 0.00 C ATOM 0 HA PRO A 67 -13.814 5.310 1.422 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -16.289 5.443 3.137 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -15.900 6.413 1.731 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -17.801 4.521 1.612 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -16.770 4.845 0.232 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -16.607 2.552 2.216 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -16.344 2.521 0.483 1.00 0.00 H new ATOM 975 N THR A 68 -14.604 4.478 4.488 1.00 0.00 N ATOM 976 CA THR A 68 -14.093 4.491 5.853 1.00 0.00 C ATOM 977 C THR A 68 -12.981 3.465 6.014 1.00 0.00 C ATOM 978 O THR A 68 -12.238 3.485 6.997 1.00 0.00 O ATOM 979 CB THR A 68 -15.227 4.183 6.835 1.00 0.00 C ATOM 980 OG1 THR A 68 -15.795 2.919 6.521 1.00 0.00 O ATOM 981 CG2 THR A 68 -16.304 5.265 6.736 1.00 0.00 C ATOM 0 H THR A 68 -15.582 4.199 4.404 1.00 0.00 H new ATOM 0 HA THR A 68 -13.690 5.481 6.065 1.00 0.00 H new ATOM 0 HB THR A 68 -14.829 4.162 7.850 1.00 0.00 H new ATOM 0 HG1 THR A 68 -16.520 2.721 7.150 1.00 0.00 H new ATOM 0 HG21 THR A 68 -17.109 5.042 7.436 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.869 6.234 6.979 1.00 0.00 H new ATOM 0 HG23 THR A 68 -16.702 5.290 5.722 1.00 0.00 H new ATOM 989 N LEU A 69 -12.864 2.580 5.036 1.00 0.00 N ATOM 990 CA LEU A 69 -11.831 1.555 5.068 1.00 0.00 C ATOM 991 C LEU A 69 -10.455 2.159 4.781 1.00 0.00 C ATOM 992 O LEU A 69 -9.466 1.814 5.421 1.00 0.00 O ATOM 993 CB LEU A 69 -12.152 0.459 4.056 1.00 0.00 C ATOM 994 CG LEU A 69 -11.089 -0.652 4.134 1.00 0.00 C ATOM 995 CD1 LEU A 69 -11.667 -1.932 3.529 1.00 0.00 C ATOM 996 CD2 LEU A 69 -9.795 -0.243 3.381 1.00 0.00 C ATOM 0 H LEU A 69 -13.468 2.550 4.214 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.807 1.119 6.067 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -13.140 0.044 4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -12.180 0.878 3.050 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.826 -0.818 5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.922 -2.726 3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.554 -2.230 4.088 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.937 -1.753 2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.062 -1.047 3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.028 -0.057 2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.385 0.663 3.828 1.00 0.00 H new ATOM 1008 N ILE A 70 -10.400 3.070 3.818 1.00 0.00 N ATOM 1009 CA ILE A 70 -9.139 3.708 3.458 1.00 0.00 C ATOM 1010 C ILE A 70 -8.535 4.396 4.678 1.00 0.00 C ATOM 1011 O ILE A 70 -7.328 4.333 4.903 1.00 0.00 O ATOM 1012 CB ILE A 70 -9.376 4.724 2.330 1.00 0.00 C ATOM 1013 CG1 ILE A 70 -9.715 3.978 1.029 1.00 0.00 C ATOM 1014 CG2 ILE A 70 -8.111 5.564 2.122 1.00 0.00 C ATOM 1015 CD1 ILE A 70 -10.434 4.922 0.059 1.00 0.00 C ATOM 0 H ILE A 70 -11.206 3.382 3.276 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.439 2.950 3.107 1.00 0.00 H new ATOM 0 HB ILE A 70 -10.205 5.378 2.601 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.803 3.596 0.570 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -10.346 3.117 1.247 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.280 6.284 1.322 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.871 6.095 3.043 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.281 4.911 1.853 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.671 4.387 -0.861 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -11.355 5.282 0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.788 5.769 -0.170 1.00 0.00 H new ATOM 1027 N TRP A 71 -9.386 5.040 5.463 1.00 0.00 N ATOM 1028 CA TRP A 71 -8.931 5.719 6.669 1.00 0.00 C ATOM 1029 C TRP A 71 -8.688 4.706 7.788 1.00 0.00 C ATOM 1030 O TRP A 71 -8.237 5.065 8.875 1.00 0.00 O ATOM 1031 CB TRP A 71 -9.967 6.753 7.117 1.00 0.00 C ATOM 1032 CG TRP A 71 -9.885 7.957 6.234 1.00 0.00 C ATOM 1033 CD1 TRP A 71 -10.855 8.374 5.389 1.00 0.00 C ATOM 1034 CD2 TRP A 71 -8.783 8.901 6.088 1.00 0.00 C ATOM 1035 NE1 TRP A 71 -10.423 9.517 4.741 1.00 0.00 N ATOM 1036 CE2 TRP A 71 -9.150 9.882 5.137 1.00 0.00 C ATOM 1037 CE3 TRP A 71 -7.514 8.999 6.689 1.00 0.00 C ATOM 1038 CZ2 TRP A 71 -8.287 10.924 4.792 1.00 0.00 C ATOM 1039 CZ3 TRP A 71 -6.645 10.046 6.343 1.00 0.00 C ATOM 1040 CH2 TRP A 71 -7.030 11.005 5.397 1.00 0.00 C ATOM 0 H TRP A 71 -10.389 5.107 5.289 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.994 6.230 6.447 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.968 6.324 7.072 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.788 7.037 8.154 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.811 7.893 5.244 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.977 10.029 4.054 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.207 8.265 7.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -8.589 11.662 4.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.673 10.113 6.809 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.355 11.807 5.135 1.00 0.00 H new ATOM 1051 N ASP A 72 -8.990 3.434 7.513 1.00 0.00 N ATOM 1052 CA ASP A 72 -8.796 2.371 8.506 1.00 0.00 C ATOM 1053 C ASP A 72 -7.400 1.772 8.385 1.00 0.00 C ATOM 1054 O ASP A 72 -6.777 1.410 9.383 1.00 0.00 O ATOM 1055 CB ASP A 72 -9.841 1.273 8.316 1.00 0.00 C ATOM 1056 CG ASP A 72 -9.850 0.356 9.536 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -9.306 0.751 10.554 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -10.399 -0.726 9.433 1.00 0.00 O ATOM 0 H ASP A 72 -9.366 3.116 6.620 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.909 2.808 9.498 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.827 1.716 8.175 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.619 0.697 7.418 1.00 0.00 H new ATOM 1063 N HIS A 73 -6.906 1.681 7.145 1.00 0.00 N ATOM 1064 CA HIS A 73 -5.570 1.135 6.884 1.00 0.00 C ATOM 1065 C HIS A 73 -4.669 2.188 6.230 1.00 0.00 C ATOM 1066 O HIS A 73 -4.093 1.950 5.169 1.00 0.00 O ATOM 1067 CB HIS A 73 -5.689 -0.081 5.963 1.00 0.00 C ATOM 1068 CG HIS A 73 -6.754 -1.001 6.485 1.00 0.00 C ATOM 1069 ND1 HIS A 73 -7.049 -1.107 7.835 1.00 0.00 N ATOM 1070 CD2 HIS A 73 -7.612 -1.858 5.845 1.00 0.00 C ATOM 1071 CE1 HIS A 73 -8.049 -1.997 7.961 1.00 0.00 C ATOM 1072 NE2 HIS A 73 -8.429 -2.486 6.777 1.00 0.00 N ATOM 0 H HIS A 73 -7.410 1.977 6.309 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.123 0.840 7.833 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.934 0.239 4.950 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.735 -0.605 5.910 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.591 -0.602 8.594 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.647 -2.020 4.778 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.491 -2.282 8.904 1.00 0.00 H new ATOM 1081 N PRO A 74 -4.534 3.337 6.847 1.00 0.00 N ATOM 1082 CA PRO A 74 -3.680 4.452 6.331 1.00 0.00 C ATOM 1083 C PRO A 74 -2.193 4.132 6.441 1.00 0.00 C ATOM 1084 O PRO A 74 -1.346 4.927 6.033 1.00 0.00 O ATOM 1085 CB PRO A 74 -4.049 5.635 7.240 1.00 0.00 C ATOM 1086 CG PRO A 74 -4.508 5.008 8.514 1.00 0.00 C ATOM 1087 CD PRO A 74 -5.194 3.707 8.109 1.00 0.00 C ATOM 0 HA PRO A 74 -3.852 4.646 5.272 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.192 6.288 7.407 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.834 6.246 6.795 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.668 4.816 9.181 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.196 5.664 9.048 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.066 2.935 8.868 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.266 3.846 7.973 1.00 0.00 H new ATOM 1095 N THR A 75 -1.887 2.963 6.993 1.00 0.00 N ATOM 1096 CA THR A 75 -0.494 2.535 7.157 1.00 0.00 C ATOM 1097 C THR A 75 -0.198 1.320 6.283 1.00 0.00 C ATOM 1098 O THR A 75 -1.108 0.635 5.819 1.00 0.00 O ATOM 1099 CB THR A 75 -0.220 2.197 8.625 1.00 0.00 C ATOM 1100 OG1 THR A 75 -1.259 1.366 9.124 1.00 0.00 O ATOM 1101 CG2 THR A 75 -0.154 3.489 9.447 1.00 0.00 C ATOM 0 H THR A 75 -2.578 2.295 7.334 1.00 0.00 H new ATOM 0 HA THR A 75 0.157 3.353 6.848 1.00 0.00 H new ATOM 0 HB THR A 75 0.732 1.671 8.703 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.082 1.149 10.063 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.041 3.246 10.492 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.647 4.122 9.066 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.103 4.019 9.369 1.00 0.00 H new ATOM 1109 N ILE A 76 1.091 1.062 6.082 1.00 0.00 N ATOM 1110 CA ILE A 76 1.519 -0.077 5.280 1.00 0.00 C ATOM 1111 C ILE A 76 1.224 -1.384 6.004 1.00 0.00 C ATOM 1112 O ILE A 76 0.823 -2.367 5.385 1.00 0.00 O ATOM 1113 CB ILE A 76 3.020 0.017 4.961 1.00 0.00 C ATOM 1114 CG1 ILE A 76 3.253 1.224 4.035 1.00 0.00 C ATOM 1115 CG2 ILE A 76 3.497 -1.268 4.258 1.00 0.00 C ATOM 1116 CD1 ILE A 76 4.706 1.257 3.535 1.00 0.00 C ATOM 0 H ILE A 76 1.853 1.624 6.462 1.00 0.00 H new ATOM 0 HA ILE A 76 0.960 -0.059 4.344 1.00 0.00 H new ATOM 0 HB ILE A 76 3.581 0.138 5.888 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.572 1.173 3.185 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.027 2.147 4.569 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.562 -1.188 4.038 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.324 -2.125 4.909 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.943 -1.401 3.329 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.847 2.119 2.882 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.382 1.333 4.387 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.921 0.343 2.981 1.00 0.00 H new ATOM 1128 N ASP A 77 1.465 -1.401 7.305 1.00 0.00 N ATOM 1129 CA ASP A 77 1.257 -2.607 8.092 1.00 0.00 C ATOM 1130 C ASP A 77 -0.144 -3.155 7.873 1.00 0.00 C ATOM 1131 O ASP A 77 -0.326 -4.348 7.615 1.00 0.00 O ATOM 1132 CB ASP A 77 1.459 -2.297 9.574 1.00 0.00 C ATOM 1133 CG ASP A 77 1.511 -3.591 10.381 1.00 0.00 C ATOM 1134 OD1 ASP A 77 2.408 -4.382 10.137 1.00 0.00 O ATOM 1135 OD2 ASP A 77 0.653 -3.771 11.229 1.00 0.00 O ATOM 0 H ASP A 77 1.803 -0.599 7.837 1.00 0.00 H new ATOM 0 HA ASP A 77 1.980 -3.358 7.773 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.383 -1.736 9.713 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.646 -1.667 9.935 1.00 0.00 H new ATOM 1140 N ALA A 78 -1.138 -2.281 7.972 1.00 0.00 N ATOM 1141 CA ALA A 78 -2.517 -2.699 7.782 1.00 0.00 C ATOM 1142 C ALA A 78 -2.787 -3.026 6.321 1.00 0.00 C ATOM 1143 O ALA A 78 -3.392 -4.053 6.005 1.00 0.00 O ATOM 1144 CB ALA A 78 -3.461 -1.581 8.233 1.00 0.00 C ATOM 0 H ALA A 78 -1.016 -1.290 8.180 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.690 -3.595 8.379 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.494 -1.897 8.089 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.291 -1.365 9.288 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.271 -0.684 7.643 1.00 0.00 H new ATOM 1150 N LEU A 79 -2.369 -2.137 5.431 1.00 0.00 N ATOM 1151 CA LEU A 79 -2.615 -2.343 4.012 1.00 0.00 C ATOM 1152 C LEU A 79 -1.947 -3.631 3.545 1.00 0.00 C ATOM 1153 O LEU A 79 -2.547 -4.424 2.819 1.00 0.00 O ATOM 1154 CB LEU A 79 -2.060 -1.150 3.212 1.00 0.00 C ATOM 1155 CG LEU A 79 -2.958 -0.844 1.995 1.00 0.00 C ATOM 1156 CD1 LEU A 79 -3.228 -2.124 1.175 1.00 0.00 C ATOM 1157 CD2 LEU A 79 -4.304 -0.242 2.480 1.00 0.00 C ATOM 0 H LEU A 79 -1.866 -1.280 5.661 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.689 -2.422 3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.999 -0.272 3.855 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.047 -1.371 2.876 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.442 -0.127 1.356 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.863 -1.883 0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.283 -2.534 0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.729 -2.860 1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.937 -0.026 1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.808 -0.956 3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.113 0.679 3.030 1.00 0.00 H new ATOM 1169 N SER A 80 -0.701 -3.826 3.959 1.00 0.00 N ATOM 1170 CA SER A 80 0.040 -5.016 3.566 1.00 0.00 C ATOM 1171 C SER A 80 -0.675 -6.262 4.066 1.00 0.00 C ATOM 1172 O SER A 80 -0.867 -7.214 3.315 1.00 0.00 O ATOM 1173 CB SER A 80 1.450 -4.965 4.147 1.00 0.00 C ATOM 1174 OG SER A 80 1.372 -4.971 5.566 1.00 0.00 O ATOM 0 H SER A 80 -0.187 -3.182 4.561 1.00 0.00 H new ATOM 0 HA SER A 80 0.101 -5.051 2.478 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.030 -5.820 3.799 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.966 -4.068 3.803 1.00 0.00 H new ATOM 0 HG SER A 80 1.130 -4.076 5.884 1.00 0.00 H new ATOM 1180 N THR A 81 -1.069 -6.244 5.339 1.00 0.00 N ATOM 1181 CA THR A 81 -1.765 -7.381 5.930 1.00 0.00 C ATOM 1182 C THR A 81 -3.012 -7.715 5.117 1.00 0.00 C ATOM 1183 O THR A 81 -3.322 -8.885 4.863 1.00 0.00 O ATOM 1184 CB THR A 81 -2.161 -7.060 7.374 1.00 0.00 C ATOM 1185 OG1 THR A 81 -0.987 -6.857 8.151 1.00 0.00 O ATOM 1186 CG2 THR A 81 -2.974 -8.218 7.952 1.00 0.00 C ATOM 0 H THR A 81 -0.919 -5.460 5.974 1.00 0.00 H new ATOM 0 HA THR A 81 -1.096 -8.242 5.925 1.00 0.00 H new ATOM 0 HB THR A 81 -2.767 -6.154 7.394 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.470 -6.115 7.774 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.255 -7.988 8.980 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.873 -8.365 7.354 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.374 -9.128 7.935 1.00 0.00 H new ATOM 1194 N ALA A 82 -3.732 -6.689 4.707 1.00 0.00 N ATOM 1195 CA ALA A 82 -4.934 -6.896 3.919 1.00 0.00 C ATOM 1196 C ALA A 82 -4.587 -7.407 2.525 1.00 0.00 C ATOM 1197 O ALA A 82 -5.253 -8.306 1.985 1.00 0.00 O ATOM 1198 CB ALA A 82 -5.708 -5.581 3.799 1.00 0.00 C ATOM 0 H ALA A 82 -3.510 -5.713 4.903 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.549 -7.642 4.423 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.609 -5.742 3.207 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.985 -5.230 4.793 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.082 -4.834 3.312 1.00 0.00 H new ATOM 1204 N LEU A 83 -3.537 -6.841 1.918 1.00 0.00 N ATOM 1205 CA LEU A 83 -3.142 -7.246 0.581 1.00 0.00 C ATOM 1206 C LEU A 83 -2.741 -8.717 0.547 1.00 0.00 C ATOM 1207 O LEU A 83 -3.232 -9.484 -0.277 1.00 0.00 O ATOM 1208 CB LEU A 83 -1.961 -6.365 0.116 1.00 0.00 C ATOM 1209 CG LEU A 83 -2.016 -6.165 -1.400 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -0.796 -5.349 -1.852 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -2.034 -7.531 -2.093 1.00 0.00 C ATOM 0 H LEU A 83 -2.957 -6.111 2.332 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.991 -7.116 -0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.998 -5.399 0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.017 -6.833 0.394 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.922 -5.622 -1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.834 -5.206 -2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.804 -4.378 -1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.117 -5.883 -1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.073 -7.390 -3.173 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.132 -8.084 -1.831 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.910 -8.092 -1.768 1.00 0.00 H new ATOM 1223 N VAL A 84 -1.854 -9.110 1.455 1.00 0.00 N ATOM 1224 CA VAL A 84 -1.416 -10.495 1.510 1.00 0.00 C ATOM 1225 C VAL A 84 -2.612 -11.393 1.782 1.00 0.00 C ATOM 1226 O VAL A 84 -2.673 -12.527 1.305 1.00 0.00 O ATOM 1227 CB VAL A 84 -0.356 -10.674 2.601 1.00 0.00 C ATOM 1228 CG1 VAL A 84 -0.962 -10.347 3.960 1.00 0.00 C ATOM 1229 CG2 VAL A 84 0.151 -12.116 2.595 1.00 0.00 C ATOM 0 H VAL A 84 -1.431 -8.497 2.152 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.972 -10.770 0.553 1.00 0.00 H new ATOM 0 HB VAL A 84 0.479 -10.000 2.407 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.207 -10.475 4.735 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.314 -9.315 3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.800 -11.017 4.156 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.905 -12.240 3.372 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.680 -12.795 2.785 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.591 -12.343 1.624 1.00 0.00 H new ATOM 1239 N ALA A 85 -3.568 -10.878 2.555 1.00 0.00 N ATOM 1240 CA ALA A 85 -4.760 -11.653 2.872 1.00 0.00 C ATOM 1241 C ALA A 85 -5.465 -12.064 1.589 1.00 0.00 C ATOM 1242 O ALA A 85 -6.013 -13.163 1.494 1.00 0.00 O ATOM 1243 CB ALA A 85 -5.708 -10.829 3.747 1.00 0.00 C ATOM 0 H ALA A 85 -3.540 -9.945 2.965 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.464 -12.548 3.420 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.595 -11.419 3.977 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.203 -10.556 4.674 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.002 -9.925 3.214 1.00 0.00 H new