USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 544 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 SER OG : rot 152:sc= 0.019 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -140:sc= 0.426 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 60:sc= 1.2 USER MOD Single : A 39 SER OG : rot -136:sc= 0.4 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.963 USER MOD Single : A 52 SER OG : rot 180:sc=-0.00085 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -179:sc= -0.749 (180deg=-0.759) USER MOD Single : A 62 ASN : amide:sc= -0.929 X(o=-0.93,f=-0.83) USER MOD Single : A 63 SER OG : rot 2:sc= 1.2 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 162:sc= -0.0199 (180deg=-0.189) USER MOD Single : A 74 MET CE :methyl -165:sc= -0.0155 (180deg=-0.342) USER MOD Single : A 82 ASN : amide:sc= -1.5 K(o=-1.5,f=-2.6!) USER MOD Single : A 83 LYS NZ :NH3+ -116:sc= 1.12 (180deg=-0.309) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N SER A 15 1.731 -9.525 -0.853 1.00 0.00 N ATOM 171 CA SER A 15 1.074 -9.025 -2.055 1.00 0.00 C ATOM 172 C SER A 15 2.022 -8.149 -2.868 1.00 0.00 C ATOM 173 O SER A 15 2.867 -7.446 -2.313 1.00 0.00 O ATOM 174 CB SER A 15 -0.180 -8.231 -1.683 1.00 0.00 C ATOM 175 OG SER A 15 -1.069 -8.137 -2.783 1.00 0.00 O ATOM 0 HA SER A 15 0.786 -9.881 -2.665 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.684 -8.712 -0.845 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.103 -7.231 -1.354 1.00 0.00 H new ATOM 0 HG SER A 15 -1.988 -8.050 -2.454 1.00 0.00 H new ATOM 181 N LYS A 16 1.876 -8.197 -4.187 1.00 0.00 N ATOM 182 CA LYS A 16 2.718 -7.408 -5.080 1.00 0.00 C ATOM 183 C LYS A 16 2.338 -5.932 -5.022 1.00 0.00 C ATOM 184 O LYS A 16 3.178 -5.055 -5.226 1.00 0.00 O ATOM 185 CB LYS A 16 2.594 -7.921 -6.516 1.00 0.00 C ATOM 186 CG LYS A 16 3.135 -9.327 -6.708 1.00 0.00 C ATOM 187 CD LYS A 16 3.220 -9.696 -8.180 1.00 0.00 C ATOM 188 CE LYS A 16 4.125 -10.898 -8.402 1.00 0.00 C ATOM 189 NZ LYS A 16 4.038 -11.407 -9.799 1.00 0.00 N ATOM 0 H LYS A 16 1.182 -8.774 -4.663 1.00 0.00 H new ATOM 0 HA LYS A 16 3.752 -7.512 -4.751 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.545 -7.901 -6.811 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.125 -7.242 -7.183 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.124 -9.402 -6.255 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.492 -10.039 -6.190 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.222 -9.916 -8.559 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.597 -8.846 -8.748 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.156 -10.623 -8.179 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.850 -11.693 -7.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.669 -12.226 -9.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.059 -11.694 -10.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.324 -10.657 -10.460 1.00 0.00 H new ATOM 203 N THR A 17 1.067 -5.663 -4.740 1.00 0.00 N ATOM 204 CA THR A 17 0.576 -4.293 -4.655 1.00 0.00 C ATOM 205 C THR A 17 0.390 -3.865 -3.204 1.00 0.00 C ATOM 206 O THR A 17 -0.243 -4.567 -2.415 1.00 0.00 O ATOM 207 CB THR A 17 -0.761 -4.128 -5.402 1.00 0.00 C ATOM 208 OG1 THR A 17 -0.732 -4.869 -6.627 1.00 0.00 O ATOM 209 CG2 THR A 17 -1.038 -2.661 -5.697 1.00 0.00 C ATOM 0 H THR A 17 0.359 -6.376 -4.567 1.00 0.00 H new ATOM 0 HA THR A 17 1.327 -3.658 -5.125 1.00 0.00 H new ATOM 0 HB THR A 17 -1.558 -4.511 -4.765 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.586 -4.760 -7.095 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.987 -2.569 -6.225 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.088 -2.105 -4.761 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.238 -2.257 -6.317 1.00 0.00 H new ATOM 217 N LEU A 18 0.946 -2.709 -2.857 1.00 0.00 N ATOM 218 CA LEU A 18 0.841 -2.186 -1.499 1.00 0.00 C ATOM 219 C LEU A 18 -0.315 -1.197 -1.385 1.00 0.00 C ATOM 220 O LEU A 18 -0.510 -0.351 -2.257 1.00 0.00 O ATOM 221 CB LEU A 18 2.150 -1.509 -1.090 1.00 0.00 C ATOM 222 CG LEU A 18 3.248 -2.433 -0.562 1.00 0.00 C ATOM 223 CD1 LEU A 18 4.614 -1.784 -0.721 1.00 0.00 C ATOM 224 CD2 LEU A 18 2.990 -2.790 0.895 1.00 0.00 C ATOM 0 H LEU A 18 1.474 -2.116 -3.497 1.00 0.00 H new ATOM 0 HA LEU A 18 0.647 -3.022 -0.827 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.541 -0.969 -1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.928 -0.767 -0.323 1.00 0.00 H new ATOM 0 HG LEU A 18 3.236 -3.352 -1.148 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.383 -2.456 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.800 -1.581 -1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.640 -0.849 -0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.781 -3.448 1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.974 -1.880 1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.029 -3.298 0.981 1.00 0.00 H new ATOM 236 N PHE A 19 -1.077 -1.309 -0.302 1.00 0.00 N ATOM 237 CA PHE A 19 -2.213 -0.424 -0.071 1.00 0.00 C ATOM 238 C PHE A 19 -1.787 0.816 0.710 1.00 0.00 C ATOM 239 O PHE A 19 -1.323 0.718 1.847 1.00 0.00 O ATOM 240 CB PHE A 19 -3.318 -1.163 0.685 1.00 0.00 C ATOM 241 CG PHE A 19 -4.505 -0.301 1.006 1.00 0.00 C ATOM 242 CD1 PHE A 19 -5.341 0.152 -0.002 1.00 0.00 C ATOM 243 CD2 PHE A 19 -4.786 0.055 2.315 1.00 0.00 C ATOM 244 CE1 PHE A 19 -6.434 0.946 0.290 1.00 0.00 C ATOM 245 CE2 PHE A 19 -5.878 0.849 2.613 1.00 0.00 C ATOM 246 CZ PHE A 19 -6.703 1.294 1.599 1.00 0.00 C ATOM 0 H PHE A 19 -0.928 -2.004 0.430 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.597 -0.107 -1.041 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.648 -2.014 0.089 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.908 -1.563 1.612 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.136 -0.118 -1.027 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.145 -0.292 3.112 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.077 1.294 -0.505 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.085 1.121 3.637 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.557 1.913 1.829 1.00 0.00 H new ATOM 256 N VAL A 20 -1.947 1.982 0.093 1.00 0.00 N ATOM 257 CA VAL A 20 -1.580 3.241 0.730 1.00 0.00 C ATOM 258 C VAL A 20 -2.818 4.034 1.132 1.00 0.00 C ATOM 259 O VAL A 20 -3.593 4.471 0.281 1.00 0.00 O ATOM 260 CB VAL A 20 -0.709 4.107 -0.199 1.00 0.00 C ATOM 261 CG1 VAL A 20 -0.291 5.390 0.503 1.00 0.00 C ATOM 262 CG2 VAL A 20 0.509 3.325 -0.668 1.00 0.00 C ATOM 0 H VAL A 20 -2.329 2.081 -0.848 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.007 2.989 1.622 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.299 4.377 -1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.324 5.989 -0.169 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.179 5.957 0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.282 5.145 1.397 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.114 3.952 -1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.103 3.024 0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.185 2.438 -1.212 1.00 0.00 H new ATOM 272 N LYS A 21 -2.998 4.217 2.436 1.00 0.00 N ATOM 273 CA LYS A 21 -4.141 4.960 2.954 1.00 0.00 C ATOM 274 C LYS A 21 -3.684 6.125 3.826 1.00 0.00 C ATOM 275 O LYS A 21 -2.703 6.015 4.560 1.00 0.00 O ATOM 276 CB LYS A 21 -5.055 4.034 3.760 1.00 0.00 C ATOM 277 CG LYS A 21 -4.454 3.587 5.082 1.00 0.00 C ATOM 278 CD LYS A 21 -5.523 3.095 6.042 1.00 0.00 C ATOM 279 CE LYS A 21 -5.121 3.326 7.491 1.00 0.00 C ATOM 280 NZ LYS A 21 -6.121 2.764 8.440 1.00 0.00 N ATOM 0 H LYS A 21 -2.367 3.861 3.154 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.696 5.360 2.106 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.998 4.546 3.954 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.287 3.154 3.160 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.730 2.792 4.903 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.911 4.416 5.535 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.462 3.610 5.837 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.700 2.032 5.877 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.149 2.869 7.675 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.010 4.395 7.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.811 2.942 9.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.043 3.218 8.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.208 1.739 8.286 1.00 0.00 H new ATOM 294 N GLY A 22 -4.402 7.241 3.740 1.00 0.00 N ATOM 295 CA GLY A 22 -4.054 8.409 4.527 1.00 0.00 C ATOM 296 C GLY A 22 -3.373 9.482 3.702 1.00 0.00 C ATOM 297 O GLY A 22 -2.445 10.142 4.173 1.00 0.00 O ATOM 0 H GLY A 22 -5.218 7.357 3.139 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.956 8.821 4.979 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.396 8.110 5.343 1.00 0.00 H new ATOM 301 N LEU A 23 -3.831 9.658 2.468 1.00 0.00 N ATOM 302 CA LEU A 23 -3.258 10.658 1.574 1.00 0.00 C ATOM 303 C LEU A 23 -4.122 11.914 1.537 1.00 0.00 C ATOM 304 O LEU A 23 -5.292 11.886 1.918 1.00 0.00 O ATOM 305 CB LEU A 23 -3.110 10.085 0.163 1.00 0.00 C ATOM 306 CG LEU A 23 -2.200 8.864 0.026 1.00 0.00 C ATOM 307 CD1 LEU A 23 -2.306 8.273 -1.371 1.00 0.00 C ATOM 308 CD2 LEU A 23 -0.758 9.236 0.342 1.00 0.00 C ATOM 0 H LEU A 23 -4.598 9.121 2.063 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.273 10.928 1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.101 9.818 -0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.730 10.872 -0.489 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.525 8.110 0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.651 7.405 -1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.336 7.969 -1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.007 9.020 -2.106 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.124 8.355 0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.421 10.008 -0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.695 9.612 1.363 1.00 0.00 H new ATOM 320 N SER A 24 -3.538 13.015 1.074 1.00 0.00 N ATOM 321 CA SER A 24 -4.255 14.282 0.988 1.00 0.00 C ATOM 322 C SER A 24 -5.079 14.354 -0.293 1.00 0.00 C ATOM 323 O SER A 24 -4.638 13.912 -1.353 1.00 0.00 O ATOM 324 CB SER A 24 -3.271 15.453 1.042 1.00 0.00 C ATOM 325 OG SER A 24 -3.939 16.667 1.336 1.00 0.00 O ATOM 0 H SER A 24 -2.571 13.055 0.753 1.00 0.00 H new ATOM 0 HA SER A 24 -4.933 14.346 1.839 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.512 15.259 1.800 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.753 15.541 0.087 1.00 0.00 H new ATOM 0 HG SER A 24 -3.288 17.399 1.367 1.00 0.00 H new ATOM 331 N GLU A 25 -6.280 14.916 -0.186 1.00 0.00 N ATOM 332 CA GLU A 25 -7.167 15.046 -1.336 1.00 0.00 C ATOM 333 C GLU A 25 -6.390 15.477 -2.577 1.00 0.00 C ATOM 334 O GLU A 25 -6.816 15.232 -3.706 1.00 0.00 O ATOM 335 CB GLU A 25 -8.278 16.055 -1.040 1.00 0.00 C ATOM 336 CG GLU A 25 -7.769 17.465 -0.793 1.00 0.00 C ATOM 337 CD GLU A 25 -8.892 18.464 -0.592 1.00 0.00 C ATOM 338 OE1 GLU A 25 -9.389 19.009 -1.600 1.00 0.00 O ATOM 339 OE2 GLU A 25 -9.274 18.700 0.573 1.00 0.00 O ATOM 0 H GLU A 25 -6.660 15.288 0.684 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.614 14.071 -1.529 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.975 16.071 -1.878 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.837 15.721 -0.166 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.125 17.466 0.087 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.155 17.779 -1.637 1.00 0.00 H new ATOM 346 N ASP A 26 -5.249 16.122 -2.359 1.00 0.00 N ATOM 347 CA ASP A 26 -4.412 16.588 -3.458 1.00 0.00 C ATOM 348 C ASP A 26 -3.473 15.483 -3.932 1.00 0.00 C ATOM 349 O ASP A 26 -3.192 15.360 -5.125 1.00 0.00 O ATOM 350 CB ASP A 26 -3.602 17.812 -3.027 1.00 0.00 C ATOM 351 CG ASP A 26 -4.383 19.103 -3.173 1.00 0.00 C ATOM 352 OD1 ASP A 26 -5.260 19.169 -4.061 1.00 0.00 O ATOM 353 OD2 ASP A 26 -4.119 20.047 -2.400 1.00 0.00 O ATOM 0 H ASP A 26 -4.883 16.334 -1.431 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.064 16.866 -4.286 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -3.294 17.693 -1.988 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.693 17.871 -3.625 1.00 0.00 H new ATOM 358 N THR A 27 -2.989 14.679 -2.990 1.00 0.00 N ATOM 359 CA THR A 27 -2.080 13.586 -3.310 1.00 0.00 C ATOM 360 C THR A 27 -2.433 12.953 -4.651 1.00 0.00 C ATOM 361 O THR A 27 -3.539 12.445 -4.838 1.00 0.00 O ATOM 362 CB THR A 27 -2.103 12.498 -2.220 1.00 0.00 C ATOM 363 OG1 THR A 27 -1.710 13.058 -0.961 1.00 0.00 O ATOM 364 CG2 THR A 27 -1.174 11.349 -2.582 1.00 0.00 C ATOM 0 H THR A 27 -3.212 14.765 -1.998 1.00 0.00 H new ATOM 0 HA THR A 27 -1.079 14.013 -3.365 1.00 0.00 H new ATOM 0 HB THR A 27 -3.119 12.112 -2.144 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.137 12.422 -0.485 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.207 10.593 -1.797 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.493 10.907 -3.526 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.155 11.723 -2.683 1.00 0.00 H new ATOM 372 N THR A 28 -1.486 12.986 -5.584 1.00 0.00 N ATOM 373 CA THR A 28 -1.697 12.415 -6.908 1.00 0.00 C ATOM 374 C THR A 28 -0.887 11.137 -7.092 1.00 0.00 C ATOM 375 O THR A 28 0.099 10.911 -6.390 1.00 0.00 O ATOM 376 CB THR A 28 -1.318 13.414 -8.017 1.00 0.00 C ATOM 377 OG1 THR A 28 0.032 13.858 -7.836 1.00 0.00 O ATOM 378 CG2 THR A 28 -2.256 14.612 -8.011 1.00 0.00 C ATOM 0 H THR A 28 -0.565 13.403 -5.446 1.00 0.00 H new ATOM 0 HA THR A 28 -2.759 12.182 -6.986 1.00 0.00 H new ATOM 0 HB THR A 28 -1.408 12.907 -8.978 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.266 14.492 -8.546 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.968 15.303 -8.803 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.279 14.274 -8.178 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.194 15.118 -7.047 1.00 0.00 H new ATOM 386 N GLU A 29 -1.308 10.306 -8.040 1.00 0.00 N ATOM 387 CA GLU A 29 -0.619 9.050 -8.315 1.00 0.00 C ATOM 388 C GLU A 29 0.853 9.295 -8.631 1.00 0.00 C ATOM 389 O GLU A 29 1.688 8.405 -8.475 1.00 0.00 O ATOM 390 CB GLU A 29 -1.288 8.321 -9.482 1.00 0.00 C ATOM 391 CG GLU A 29 -2.784 8.126 -9.300 1.00 0.00 C ATOM 392 CD GLU A 29 -3.518 7.984 -10.620 1.00 0.00 C ATOM 393 OE1 GLU A 29 -3.034 8.537 -11.630 1.00 0.00 O ATOM 394 OE2 GLU A 29 -4.577 7.322 -10.642 1.00 0.00 O ATOM 0 H GLU A 29 -2.122 10.479 -8.630 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.682 8.427 -7.423 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.112 8.883 -10.399 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.816 7.347 -9.610 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.960 7.238 -8.693 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.193 8.974 -8.750 1.00 0.00 H new ATOM 401 N GLU A 30 1.163 10.509 -9.076 1.00 0.00 N ATOM 402 CA GLU A 30 2.535 10.870 -9.416 1.00 0.00 C ATOM 403 C GLU A 30 3.418 10.881 -8.171 1.00 0.00 C ATOM 404 O GLU A 30 4.468 10.238 -8.135 1.00 0.00 O ATOM 405 CB GLU A 30 2.572 12.242 -10.093 1.00 0.00 C ATOM 406 CG GLU A 30 2.444 12.177 -11.606 1.00 0.00 C ATOM 407 CD GLU A 30 1.953 13.481 -12.206 1.00 0.00 C ATOM 408 OE1 GLU A 30 0.944 14.020 -11.705 1.00 0.00 O ATOM 409 OE2 GLU A 30 2.577 13.960 -13.175 1.00 0.00 O ATOM 0 H GLU A 30 0.484 11.258 -9.209 1.00 0.00 H new ATOM 0 HA GLU A 30 2.920 10.121 -10.108 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.765 12.857 -9.694 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.508 12.739 -9.837 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.412 11.924 -12.038 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.756 11.376 -11.875 1.00 0.00 H new ATOM 416 N THR A 31 2.986 11.617 -7.152 1.00 0.00 N ATOM 417 CA THR A 31 3.737 11.715 -5.907 1.00 0.00 C ATOM 418 C THR A 31 3.690 10.402 -5.133 1.00 0.00 C ATOM 419 O THR A 31 4.640 10.048 -4.433 1.00 0.00 O ATOM 420 CB THR A 31 3.195 12.845 -5.011 1.00 0.00 C ATOM 421 OG1 THR A 31 4.228 13.314 -4.137 1.00 0.00 O ATOM 422 CG2 THR A 31 2.009 12.363 -4.190 1.00 0.00 C ATOM 0 H THR A 31 2.119 12.154 -7.165 1.00 0.00 H new ATOM 0 HA THR A 31 4.769 11.939 -6.177 1.00 0.00 H new ATOM 0 HB THR A 31 2.864 13.661 -5.653 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.877 14.033 -3.572 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.644 13.178 -3.565 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.214 12.033 -4.858 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.319 11.531 -3.557 1.00 0.00 H new ATOM 430 N LEU A 32 2.581 9.683 -5.264 1.00 0.00 N ATOM 431 CA LEU A 32 2.411 8.407 -4.577 1.00 0.00 C ATOM 432 C LEU A 32 3.370 7.358 -5.131 1.00 0.00 C ATOM 433 O LEU A 32 3.910 6.540 -4.387 1.00 0.00 O ATOM 434 CB LEU A 32 0.968 7.920 -4.714 1.00 0.00 C ATOM 435 CG LEU A 32 0.652 6.568 -4.072 1.00 0.00 C ATOM 436 CD1 LEU A 32 0.547 6.707 -2.561 1.00 0.00 C ATOM 437 CD2 LEU A 32 -0.633 5.992 -4.648 1.00 0.00 C ATOM 0 H LEU A 32 1.786 9.961 -5.839 1.00 0.00 H new ATOM 0 HA LEU A 32 2.638 8.557 -3.522 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.309 8.670 -4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.724 7.862 -5.775 1.00 0.00 H new ATOM 0 HG LEU A 32 1.467 5.880 -4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.322 5.736 -2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.493 7.075 -2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.249 7.410 -2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.842 5.030 -4.180 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.458 6.677 -4.454 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.520 5.855 -5.724 1.00 0.00 H new ATOM 449 N LYS A 33 3.578 7.389 -6.443 1.00 0.00 N ATOM 450 CA LYS A 33 4.474 6.444 -7.099 1.00 0.00 C ATOM 451 C LYS A 33 5.922 6.695 -6.692 1.00 0.00 C ATOM 452 O LYS A 33 6.614 5.787 -6.235 1.00 0.00 O ATOM 453 CB LYS A 33 4.334 6.548 -8.619 1.00 0.00 C ATOM 454 CG LYS A 33 4.988 5.401 -9.370 1.00 0.00 C ATOM 455 CD LYS A 33 5.470 5.836 -10.744 1.00 0.00 C ATOM 456 CE LYS A 33 6.650 4.999 -11.211 1.00 0.00 C ATOM 457 NZ LYS A 33 7.481 5.722 -12.214 1.00 0.00 N ATOM 0 H LYS A 33 3.138 8.059 -7.073 1.00 0.00 H new ATOM 0 HA LYS A 33 4.196 5.439 -6.783 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.275 6.583 -8.876 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.774 7.488 -8.953 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.830 5.020 -8.792 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.277 4.582 -9.476 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.654 5.749 -11.461 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.757 6.887 -10.714 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.267 4.731 -10.353 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.286 4.068 -11.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.275 5.118 -12.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.899 5.956 -13.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.850 6.598 -11.792 1.00 0.00 H new ATOM 471 N GLU A 34 6.373 7.935 -6.862 1.00 0.00 N ATOM 472 CA GLU A 34 7.739 8.304 -6.511 1.00 0.00 C ATOM 473 C GLU A 34 8.012 8.040 -5.033 1.00 0.00 C ATOM 474 O GLU A 34 9.093 7.582 -4.663 1.00 0.00 O ATOM 475 CB GLU A 34 7.990 9.779 -6.831 1.00 0.00 C ATOM 476 CG GLU A 34 7.858 10.112 -8.308 1.00 0.00 C ATOM 477 CD GLU A 34 8.578 11.393 -8.684 1.00 0.00 C ATOM 478 OE1 GLU A 34 9.823 11.423 -8.588 1.00 0.00 O ATOM 479 OE2 GLU A 34 7.897 12.364 -9.074 1.00 0.00 O ATOM 0 H GLU A 34 5.813 8.699 -7.240 1.00 0.00 H new ATOM 0 HA GLU A 34 8.417 7.690 -7.103 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.287 10.390 -6.265 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.990 10.050 -6.494 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.257 9.288 -8.899 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.802 10.205 -8.563 1.00 0.00 H new ATOM 486 N SER A 35 7.024 8.332 -4.193 1.00 0.00 N ATOM 487 CA SER A 35 7.159 8.130 -2.755 1.00 0.00 C ATOM 488 C SER A 35 7.930 6.848 -2.456 1.00 0.00 C ATOM 489 O SER A 35 8.686 6.777 -1.487 1.00 0.00 O ATOM 490 CB SER A 35 5.779 8.074 -2.096 1.00 0.00 C ATOM 491 OG SER A 35 5.251 9.375 -1.907 1.00 0.00 O ATOM 0 H SER A 35 6.122 8.709 -4.483 1.00 0.00 H new ATOM 0 HA SER A 35 7.717 8.972 -2.345 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.100 7.489 -2.716 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.852 7.565 -1.135 1.00 0.00 H new ATOM 0 HG SER A 35 5.162 9.821 -2.775 1.00 0.00 H new ATOM 497 N PHE A 36 7.734 5.837 -3.296 1.00 0.00 N ATOM 498 CA PHE A 36 8.409 4.557 -3.122 1.00 0.00 C ATOM 499 C PHE A 36 9.526 4.387 -4.149 1.00 0.00 C ATOM 500 O PHE A 36 9.272 4.075 -5.312 1.00 0.00 O ATOM 501 CB PHE A 36 7.408 3.406 -3.247 1.00 0.00 C ATOM 502 CG PHE A 36 6.183 3.583 -2.396 1.00 0.00 C ATOM 503 CD1 PHE A 36 5.127 4.366 -2.833 1.00 0.00 C ATOM 504 CD2 PHE A 36 6.087 2.966 -1.159 1.00 0.00 C ATOM 505 CE1 PHE A 36 3.999 4.531 -2.051 1.00 0.00 C ATOM 506 CE2 PHE A 36 4.962 3.127 -0.373 1.00 0.00 C ATOM 507 CZ PHE A 36 3.916 3.910 -0.821 1.00 0.00 C ATOM 0 H PHE A 36 7.113 5.880 -4.104 1.00 0.00 H new ATOM 0 HA PHE A 36 8.849 4.540 -2.125 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.106 3.309 -4.290 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.901 2.474 -2.971 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.186 4.853 -3.795 1.00 0.00 H new ATOM 0 HD2 PHE A 36 6.902 2.352 -0.805 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.183 5.145 -2.402 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.901 2.642 0.590 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.035 4.036 -0.210 1.00 0.00 H new ATOM 517 N ASP A 37 10.762 4.596 -3.709 1.00 0.00 N ATOM 518 CA ASP A 37 11.918 4.466 -4.588 1.00 0.00 C ATOM 519 C ASP A 37 12.090 3.023 -5.050 1.00 0.00 C ATOM 520 O ASP A 37 12.767 2.228 -4.398 1.00 0.00 O ATOM 521 CB ASP A 37 13.185 4.940 -3.873 1.00 0.00 C ATOM 522 CG ASP A 37 14.245 5.432 -4.839 1.00 0.00 C ATOM 523 OD1 ASP A 37 14.090 6.553 -5.368 1.00 0.00 O ATOM 524 OD2 ASP A 37 15.228 4.697 -5.066 1.00 0.00 O ATOM 0 H ASP A 37 10.989 4.856 -2.749 1.00 0.00 H new ATOM 0 HA ASP A 37 11.749 5.091 -5.465 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.929 5.741 -3.180 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.591 4.122 -3.278 1.00 0.00 H new ATOM 529 N GLY A 38 11.472 2.690 -6.179 1.00 0.00 N ATOM 530 CA GLY A 38 11.568 1.342 -6.708 1.00 0.00 C ATOM 531 C GLY A 38 10.305 0.910 -7.427 1.00 0.00 C ATOM 532 O GLY A 38 10.367 0.208 -8.436 1.00 0.00 O ATOM 0 H GLY A 38 10.906 3.330 -6.737 1.00 0.00 H new ATOM 0 HA2 GLY A 38 12.412 1.284 -7.396 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.773 0.649 -5.892 1.00 0.00 H new ATOM 536 N SER A 39 9.157 1.329 -6.905 1.00 0.00 N ATOM 537 CA SER A 39 7.873 0.976 -7.500 1.00 0.00 C ATOM 538 C SER A 39 7.901 1.178 -9.012 1.00 0.00 C ATOM 539 O SER A 39 8.770 1.872 -9.541 1.00 0.00 O ATOM 540 CB SER A 39 6.753 1.815 -6.883 1.00 0.00 C ATOM 541 OG SER A 39 6.819 3.159 -7.326 1.00 0.00 O ATOM 0 H SER A 39 9.089 1.913 -6.072 1.00 0.00 H new ATOM 0 HA SER A 39 7.683 -0.078 -7.295 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.786 1.388 -7.149 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.827 1.783 -5.796 1.00 0.00 H new ATOM 0 HG SER A 39 6.683 3.761 -6.565 1.00 0.00 H new ATOM 547 N VAL A 40 6.944 0.567 -9.703 1.00 0.00 N ATOM 548 CA VAL A 40 6.857 0.680 -11.154 1.00 0.00 C ATOM 549 C VAL A 40 5.644 1.505 -11.569 1.00 0.00 C ATOM 550 O VAL A 40 5.664 2.185 -12.595 1.00 0.00 O ATOM 551 CB VAL A 40 6.775 -0.706 -11.821 1.00 0.00 C ATOM 552 CG1 VAL A 40 8.080 -1.465 -11.637 1.00 0.00 C ATOM 553 CG2 VAL A 40 5.604 -1.498 -11.259 1.00 0.00 C ATOM 0 H VAL A 40 6.218 -0.012 -9.281 1.00 0.00 H new ATOM 0 HA VAL A 40 7.765 1.182 -11.488 1.00 0.00 H new ATOM 0 HB VAL A 40 6.611 -0.567 -12.890 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.003 -2.442 -12.115 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.895 -0.902 -12.091 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.278 -1.596 -10.573 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.561 -2.475 -11.741 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.735 -1.629 -10.185 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.676 -0.959 -11.448 1.00 0.00 H new ATOM 563 N ARG A 41 4.587 1.439 -10.765 1.00 0.00 N ATOM 564 CA ARG A 41 3.364 2.179 -11.050 1.00 0.00 C ATOM 565 C ARG A 41 2.610 2.499 -9.762 1.00 0.00 C ATOM 566 O ARG A 41 2.931 1.973 -8.696 1.00 0.00 O ATOM 567 CB ARG A 41 2.465 1.377 -11.993 1.00 0.00 C ATOM 568 CG ARG A 41 3.043 1.211 -13.389 1.00 0.00 C ATOM 569 CD ARG A 41 3.126 2.542 -14.120 1.00 0.00 C ATOM 570 NE ARG A 41 3.522 2.377 -15.516 1.00 0.00 N ATOM 571 CZ ARG A 41 2.702 1.939 -16.465 1.00 0.00 C ATOM 572 NH1 ARG A 41 1.448 1.626 -16.170 1.00 0.00 N ATOM 573 NH2 ARG A 41 3.136 1.815 -17.713 1.00 0.00 N ATOM 0 H ARG A 41 4.554 0.881 -9.912 1.00 0.00 H new ATOM 0 HA ARG A 41 3.641 3.117 -11.532 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.288 0.391 -11.562 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.496 1.871 -12.066 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.037 0.769 -13.322 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.424 0.519 -13.960 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.158 3.041 -14.075 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.843 3.189 -13.614 1.00 0.00 H new ATOM 0 HE ARG A 41 4.480 2.611 -15.776 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.110 1.721 -15.212 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.821 1.290 -16.901 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.100 2.056 -17.944 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.506 1.479 -18.441 1.00 0.00 H new ATOM 587 N ALA A 42 1.607 3.364 -9.869 1.00 0.00 N ATOM 588 CA ALA A 42 0.808 3.753 -8.714 1.00 0.00 C ATOM 589 C ALA A 42 -0.606 4.144 -9.131 1.00 0.00 C ATOM 590 O ALA A 42 -0.833 4.568 -10.265 1.00 0.00 O ATOM 591 CB ALA A 42 1.477 4.900 -7.970 1.00 0.00 C ATOM 0 H ALA A 42 1.329 3.809 -10.744 1.00 0.00 H new ATOM 0 HA ALA A 42 0.738 2.894 -8.047 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.869 5.180 -7.110 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.464 4.587 -7.630 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.578 5.756 -8.637 1.00 0.00 H new ATOM 597 N ARG A 43 -1.552 3.999 -8.209 1.00 0.00 N ATOM 598 CA ARG A 43 -2.944 4.336 -8.483 1.00 0.00 C ATOM 599 C ARG A 43 -3.585 5.020 -7.279 1.00 0.00 C ATOM 600 O ARG A 43 -3.134 4.852 -6.146 1.00 0.00 O ATOM 601 CB ARG A 43 -3.733 3.077 -8.848 1.00 0.00 C ATOM 602 CG ARG A 43 -3.053 2.215 -9.899 1.00 0.00 C ATOM 603 CD ARG A 43 -3.417 2.661 -11.307 1.00 0.00 C ATOM 604 NE ARG A 43 -2.734 1.869 -12.326 1.00 0.00 N ATOM 605 CZ ARG A 43 -2.723 2.185 -13.616 1.00 0.00 C ATOM 606 NH1 ARG A 43 -3.353 3.270 -14.042 1.00 0.00 N ATOM 607 NH2 ARG A 43 -2.079 1.413 -14.483 1.00 0.00 N ATOM 0 H ARG A 43 -1.380 3.651 -7.266 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.965 5.027 -9.326 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.889 2.482 -7.948 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.718 3.369 -9.212 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.972 2.265 -9.768 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.343 1.173 -9.760 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.495 2.578 -11.446 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.159 3.713 -11.432 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.239 1.028 -12.031 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.848 3.866 -13.379 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.342 3.510 -15.033 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.593 0.577 -14.158 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.071 1.656 -15.474 1.00 0.00 H new ATOM 621 N ILE A 44 -4.637 5.790 -7.534 1.00 0.00 N ATOM 622 CA ILE A 44 -5.339 6.499 -6.471 1.00 0.00 C ATOM 623 C ILE A 44 -6.851 6.384 -6.640 1.00 0.00 C ATOM 624 O ILE A 44 -7.387 6.640 -7.718 1.00 0.00 O ATOM 625 CB ILE A 44 -4.950 7.988 -6.434 1.00 0.00 C ATOM 626 CG1 ILE A 44 -3.546 8.156 -5.850 1.00 0.00 C ATOM 627 CG2 ILE A 44 -5.965 8.781 -5.626 1.00 0.00 C ATOM 628 CD1 ILE A 44 -3.145 9.601 -5.648 1.00 0.00 C ATOM 0 H ILE A 44 -5.022 5.939 -8.467 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.043 6.032 -5.532 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.947 8.373 -7.454 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.494 7.636 -4.894 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.826 7.677 -6.513 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.676 9.832 -5.609 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.950 8.683 -6.082 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.998 8.398 -4.606 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.139 9.645 -5.231 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.164 10.121 -6.606 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.843 10.080 -4.961 1.00 0.00 H new ATOM 640 N VAL A 45 -7.533 5.998 -5.566 1.00 0.00 N ATOM 641 CA VAL A 45 -8.983 5.852 -5.593 1.00 0.00 C ATOM 642 C VAL A 45 -9.672 7.212 -5.607 1.00 0.00 C ATOM 643 O VAL A 45 -9.136 8.198 -5.101 1.00 0.00 O ATOM 644 CB VAL A 45 -9.489 5.045 -4.383 1.00 0.00 C ATOM 645 CG1 VAL A 45 -8.720 3.739 -4.253 1.00 0.00 C ATOM 646 CG2 VAL A 45 -9.377 5.869 -3.109 1.00 0.00 C ATOM 0 H VAL A 45 -7.104 5.781 -4.666 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.230 5.313 -6.508 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.540 4.805 -4.542 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.091 3.182 -3.393 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.857 3.145 -5.156 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.660 3.953 -4.117 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.739 5.283 -2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.335 6.141 -2.942 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.977 6.774 -3.207 1.00 0.00 H new ATOM 656 N THR A 46 -10.866 7.259 -6.190 1.00 0.00 N ATOM 657 CA THR A 46 -11.629 8.497 -6.271 1.00 0.00 C ATOM 658 C THR A 46 -13.113 8.246 -6.030 1.00 0.00 C ATOM 659 O THR A 46 -13.606 7.136 -6.235 1.00 0.00 O ATOM 660 CB THR A 46 -11.452 9.178 -7.642 1.00 0.00 C ATOM 661 OG1 THR A 46 -11.862 8.290 -8.687 1.00 0.00 O ATOM 662 CG2 THR A 46 -10.003 9.589 -7.858 1.00 0.00 C ATOM 0 H THR A 46 -11.325 6.453 -6.613 1.00 0.00 H new ATOM 0 HA THR A 46 -11.244 9.156 -5.493 1.00 0.00 H new ATOM 0 HB THR A 46 -12.074 10.073 -7.662 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.748 8.731 -9.555 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.902 10.068 -8.832 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.703 10.288 -7.077 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.365 8.706 -7.819 1.00 0.00 H new ATOM 670 N ASP A 47 -13.821 9.282 -5.595 1.00 0.00 N ATOM 671 CA ASP A 47 -15.251 9.173 -5.327 1.00 0.00 C ATOM 672 C ASP A 47 -16.050 9.207 -6.626 1.00 0.00 C ATOM 673 O ASP A 47 -15.604 9.768 -7.627 1.00 0.00 O ATOM 674 CB ASP A 47 -15.706 10.304 -4.404 1.00 0.00 C ATOM 675 CG ASP A 47 -17.161 10.171 -3.999 1.00 0.00 C ATOM 676 OD1 ASP A 47 -17.622 9.025 -3.813 1.00 0.00 O ATOM 677 OD2 ASP A 47 -17.839 11.212 -3.869 1.00 0.00 O ATOM 0 H ASP A 47 -13.429 10.207 -5.420 1.00 0.00 H new ATOM 0 HA ASP A 47 -15.432 8.218 -4.834 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -15.082 10.313 -3.510 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -15.557 11.260 -4.905 1.00 0.00 H new ATOM 682 N ARG A 48 -17.234 8.602 -6.602 1.00 0.00 N ATOM 683 CA ARG A 48 -18.094 8.561 -7.778 1.00 0.00 C ATOM 684 C ARG A 48 -19.017 9.776 -7.820 1.00 0.00 C ATOM 685 O ARG A 48 -19.529 10.141 -8.877 1.00 0.00 O ATOM 686 CB ARG A 48 -18.925 7.276 -7.784 1.00 0.00 C ATOM 687 CG ARG A 48 -19.806 7.125 -9.013 1.00 0.00 C ATOM 688 CD ARG A 48 -19.015 6.608 -10.205 1.00 0.00 C ATOM 689 NE ARG A 48 -19.809 6.609 -11.431 1.00 0.00 N ATOM 690 CZ ARG A 48 -20.725 5.689 -11.714 1.00 0.00 C ATOM 691 NH1 ARG A 48 -20.960 4.700 -10.864 1.00 0.00 N ATOM 692 NH2 ARG A 48 -21.407 5.758 -12.850 1.00 0.00 N ATOM 0 H ARG A 48 -17.619 8.134 -5.781 1.00 0.00 H new ATOM 0 HA ARG A 48 -17.458 8.579 -8.663 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -18.254 6.419 -7.721 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -19.553 7.255 -6.893 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -20.625 6.440 -8.793 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -20.254 8.087 -9.262 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -18.128 7.226 -10.347 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -18.668 5.595 -9.998 1.00 0.00 H new ATOM 0 HE ARG A 48 -19.652 7.357 -12.107 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -20.437 4.644 -9.990 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -21.664 3.995 -11.084 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -21.228 6.518 -13.507 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -22.110 5.051 -13.067 1.00 0.00 H new ATOM 706 N GLU A 49 -19.224 10.395 -6.662 1.00 0.00 N ATOM 707 CA GLU A 49 -20.086 11.567 -6.567 1.00 0.00 C ATOM 708 C GLU A 49 -19.287 12.849 -6.786 1.00 0.00 C ATOM 709 O GLU A 49 -19.583 13.633 -7.688 1.00 0.00 O ATOM 710 CB GLU A 49 -20.776 11.611 -5.202 1.00 0.00 C ATOM 711 CG GLU A 49 -21.912 12.617 -5.126 1.00 0.00 C ATOM 712 CD GLU A 49 -22.979 12.373 -6.175 1.00 0.00 C ATOM 713 OE1 GLU A 49 -23.423 11.214 -6.312 1.00 0.00 O ATOM 714 OE2 GLU A 49 -23.370 13.342 -6.860 1.00 0.00 O ATOM 0 H GLU A 49 -18.807 10.105 -5.778 1.00 0.00 H new ATOM 0 HA GLU A 49 -20.844 11.493 -7.347 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -21.164 10.619 -4.968 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -20.037 11.852 -4.438 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -22.365 12.574 -4.136 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -21.510 13.623 -5.249 1.00 0.00 H new ATOM 721 N THR A 50 -18.271 13.057 -5.953 1.00 0.00 N ATOM 722 CA THR A 50 -17.431 14.243 -6.053 1.00 0.00 C ATOM 723 C THR A 50 -16.431 14.113 -7.197 1.00 0.00 C ATOM 724 O THR A 50 -16.100 15.095 -7.859 1.00 0.00 O ATOM 725 CB THR A 50 -16.663 14.500 -4.743 1.00 0.00 C ATOM 726 OG1 THR A 50 -15.699 13.464 -4.528 1.00 0.00 O ATOM 727 CG2 THR A 50 -17.619 14.564 -3.560 1.00 0.00 C ATOM 0 H THR A 50 -18.011 12.418 -5.201 1.00 0.00 H new ATOM 0 HA THR A 50 -18.095 15.085 -6.247 1.00 0.00 H new ATOM 0 HB THR A 50 -16.151 15.458 -4.830 1.00 0.00 H new ATOM 0 HG1 THR A 50 -15.214 13.636 -3.694 1.00 0.00 H new ATOM 0 HG21 THR A 50 -17.055 14.746 -2.646 1.00 0.00 H new ATOM 0 HG22 THR A 50 -18.333 15.373 -3.713 1.00 0.00 H new ATOM 0 HG23 THR A 50 -18.155 13.619 -3.473 1.00 0.00 H new ATOM 735 N GLY A 51 -15.954 12.893 -7.424 1.00 0.00 N ATOM 736 CA GLY A 51 -14.997 12.657 -8.489 1.00 0.00 C ATOM 737 C GLY A 51 -13.618 13.194 -8.159 1.00 0.00 C ATOM 738 O GLY A 51 -12.944 13.762 -9.018 1.00 0.00 O ATOM 0 H GLY A 51 -16.213 12.064 -6.889 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.930 11.586 -8.682 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -15.356 13.125 -9.406 1.00 0.00 H new ATOM 742 N SER A 52 -13.198 13.016 -6.911 1.00 0.00 N ATOM 743 CA SER A 52 -11.893 13.492 -6.468 1.00 0.00 C ATOM 744 C SER A 52 -11.148 12.402 -5.703 1.00 0.00 C ATOM 745 O SER A 52 -11.690 11.326 -5.449 1.00 0.00 O ATOM 746 CB SER A 52 -12.051 14.733 -5.586 1.00 0.00 C ATOM 747 OG SER A 52 -10.831 15.446 -5.486 1.00 0.00 O ATOM 0 H SER A 52 -13.743 12.545 -6.188 1.00 0.00 H new ATOM 0 HA SER A 52 -11.311 13.755 -7.351 1.00 0.00 H new ATOM 0 HB2 SER A 52 -12.822 15.382 -6.001 1.00 0.00 H new ATOM 0 HB3 SER A 52 -12.385 14.436 -4.592 1.00 0.00 H new ATOM 0 HG SER A 52 -10.959 16.235 -4.919 1.00 0.00 H new ATOM 753 N SER A 53 -9.903 12.690 -5.338 1.00 0.00 N ATOM 754 CA SER A 53 -9.081 11.734 -4.606 1.00 0.00 C ATOM 755 C SER A 53 -9.602 11.546 -3.184 1.00 0.00 C ATOM 756 O SER A 53 -9.594 12.477 -2.379 1.00 0.00 O ATOM 757 CB SER A 53 -7.625 12.203 -4.569 1.00 0.00 C ATOM 758 OG SER A 53 -6.969 11.740 -3.402 1.00 0.00 O ATOM 0 H SER A 53 -9.442 13.578 -5.537 1.00 0.00 H new ATOM 0 HA SER A 53 -9.134 10.776 -5.124 1.00 0.00 H new ATOM 0 HB2 SER A 53 -7.100 11.840 -5.453 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.590 13.292 -4.602 1.00 0.00 H new ATOM 0 HG SER A 53 -6.040 12.052 -3.403 1.00 0.00 H new ATOM 764 N LYS A 54 -10.056 10.334 -2.882 1.00 0.00 N ATOM 765 CA LYS A 54 -10.581 10.021 -1.559 1.00 0.00 C ATOM 766 C LYS A 54 -9.507 10.202 -0.491 1.00 0.00 C ATOM 767 O LYS A 54 -9.742 10.834 0.538 1.00 0.00 O ATOM 768 CB LYS A 54 -11.113 8.587 -1.525 1.00 0.00 C ATOM 769 CG LYS A 54 -12.352 8.377 -2.378 1.00 0.00 C ATOM 770 CD LYS A 54 -13.013 7.041 -2.083 1.00 0.00 C ATOM 771 CE LYS A 54 -14.141 6.749 -3.061 1.00 0.00 C ATOM 772 NZ LYS A 54 -15.441 7.299 -2.588 1.00 0.00 N ATOM 0 H LYS A 54 -10.071 9.552 -3.537 1.00 0.00 H new ATOM 0 HA LYS A 54 -11.399 10.710 -1.347 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.329 7.910 -1.865 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -11.342 8.318 -0.494 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.062 9.183 -2.195 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.081 8.425 -3.433 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -12.269 6.246 -2.136 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.404 7.044 -1.066 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.898 7.177 -4.034 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.231 5.672 -3.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -16.187 7.064 -3.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.677 6.885 -1.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.368 8.332 -2.496 1.00 0.00 H new ATOM 786 N GLY A 55 -8.327 9.643 -0.744 1.00 0.00 N ATOM 787 CA GLY A 55 -7.235 9.756 0.205 1.00 0.00 C ATOM 788 C GLY A 55 -6.507 8.441 0.410 1.00 0.00 C ATOM 789 O GLY A 55 -6.025 8.155 1.506 1.00 0.00 O ATOM 0 H GLY A 55 -8.108 9.114 -1.589 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.529 10.508 -0.146 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.623 10.106 1.161 1.00 0.00 H new ATOM 793 N PHE A 56 -6.429 7.639 -0.647 1.00 0.00 N ATOM 794 CA PHE A 56 -5.758 6.347 -0.577 1.00 0.00 C ATOM 795 C PHE A 56 -5.692 5.693 -1.954 1.00 0.00 C ATOM 796 O PHE A 56 -6.551 5.924 -2.805 1.00 0.00 O ATOM 797 CB PHE A 56 -6.484 5.423 0.404 1.00 0.00 C ATOM 798 CG PHE A 56 -7.902 5.125 0.009 1.00 0.00 C ATOM 799 CD1 PHE A 56 -8.916 6.029 0.283 1.00 0.00 C ATOM 800 CD2 PHE A 56 -8.221 3.941 -0.636 1.00 0.00 C ATOM 801 CE1 PHE A 56 -10.222 5.757 -0.079 1.00 0.00 C ATOM 802 CE2 PHE A 56 -9.525 3.664 -1.001 1.00 0.00 C ATOM 803 CZ PHE A 56 -10.527 4.573 -0.722 1.00 0.00 C ATOM 0 H PHE A 56 -6.822 7.861 -1.562 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.740 6.513 -0.224 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -5.933 4.486 0.484 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -6.479 5.881 1.393 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.683 6.956 0.785 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -7.442 3.226 -0.856 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -11.003 6.470 0.141 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -9.760 2.738 -1.504 1.00 0.00 H new ATOM 0 HZ PHE A 56 -11.547 4.358 -1.006 1.00 0.00 H new ATOM 813 N GLY A 57 -4.665 4.875 -2.167 1.00 0.00 N ATOM 814 CA GLY A 57 -4.505 4.201 -3.442 1.00 0.00 C ATOM 815 C GLY A 57 -3.706 2.919 -3.323 1.00 0.00 C ATOM 816 O GLY A 57 -3.664 2.301 -2.259 1.00 0.00 O ATOM 0 H GLY A 57 -3.941 4.667 -1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.488 3.976 -3.856 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.009 4.871 -4.144 1.00 0.00 H new ATOM 820 N PHE A 58 -3.071 2.515 -4.419 1.00 0.00 N ATOM 821 CA PHE A 58 -2.271 1.296 -4.434 1.00 0.00 C ATOM 822 C PHE A 58 -0.978 1.503 -5.217 1.00 0.00 C ATOM 823 O PHE A 58 -0.960 2.196 -6.235 1.00 0.00 O ATOM 824 CB PHE A 58 -3.072 0.144 -5.045 1.00 0.00 C ATOM 825 CG PHE A 58 -4.370 -0.125 -4.339 1.00 0.00 C ATOM 826 CD1 PHE A 58 -5.453 0.723 -4.507 1.00 0.00 C ATOM 827 CD2 PHE A 58 -4.508 -1.225 -3.508 1.00 0.00 C ATOM 828 CE1 PHE A 58 -6.649 0.479 -3.858 1.00 0.00 C ATOM 829 CE2 PHE A 58 -5.701 -1.474 -2.857 1.00 0.00 C ATOM 830 CZ PHE A 58 -6.773 -0.622 -3.033 1.00 0.00 C ATOM 0 H PHE A 58 -3.095 3.014 -5.308 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.015 1.046 -3.404 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.277 0.370 -6.092 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -2.464 -0.760 -5.027 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.362 1.584 -5.152 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.673 -1.896 -3.367 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.485 1.148 -3.996 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.795 -2.334 -2.211 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.707 -0.816 -2.527 1.00 0.00 H new ATOM 840 N VAL A 59 0.102 0.898 -4.734 1.00 0.00 N ATOM 841 CA VAL A 59 1.400 1.015 -5.388 1.00 0.00 C ATOM 842 C VAL A 59 1.843 -0.321 -5.974 1.00 0.00 C ATOM 843 O VAL A 59 2.143 -1.263 -5.241 1.00 0.00 O ATOM 844 CB VAL A 59 2.479 1.516 -4.409 1.00 0.00 C ATOM 845 CG1 VAL A 59 3.811 1.685 -5.123 1.00 0.00 C ATOM 846 CG2 VAL A 59 2.043 2.821 -3.760 1.00 0.00 C ATOM 0 H VAL A 59 0.104 0.322 -3.892 1.00 0.00 H new ATOM 0 HA VAL A 59 1.284 1.741 -6.193 1.00 0.00 H new ATOM 0 HB VAL A 59 2.608 0.771 -3.624 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.561 2.039 -4.416 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.126 0.727 -5.536 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.702 2.410 -5.930 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.816 3.161 -3.071 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.886 3.576 -4.530 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.114 2.662 -3.212 1.00 0.00 H new ATOM 856 N ASP A 60 1.881 -0.395 -7.300 1.00 0.00 N ATOM 857 CA ASP A 60 2.289 -1.615 -7.986 1.00 0.00 C ATOM 858 C ASP A 60 3.804 -1.785 -7.939 1.00 0.00 C ATOM 859 O ASP A 60 4.552 -0.817 -8.078 1.00 0.00 O ATOM 860 CB ASP A 60 1.811 -1.594 -9.439 1.00 0.00 C ATOM 861 CG ASP A 60 0.426 -0.995 -9.583 1.00 0.00 C ATOM 862 OD1 ASP A 60 -0.351 -1.052 -8.607 1.00 0.00 O ATOM 863 OD2 ASP A 60 0.118 -0.467 -10.672 1.00 0.00 O ATOM 0 H ASP A 60 1.634 0.376 -7.921 1.00 0.00 H new ATOM 0 HA ASP A 60 1.830 -2.460 -7.473 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.516 -1.022 -10.042 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.807 -2.611 -9.832 1.00 0.00 H new ATOM 868 N PHE A 61 4.251 -3.021 -7.741 1.00 0.00 N ATOM 869 CA PHE A 61 5.677 -3.317 -7.673 1.00 0.00 C ATOM 870 C PHE A 61 6.021 -4.533 -8.529 1.00 0.00 C ATOM 871 O PHE A 61 5.234 -5.473 -8.636 1.00 0.00 O ATOM 872 CB PHE A 61 6.100 -3.564 -6.224 1.00 0.00 C ATOM 873 CG PHE A 61 6.212 -2.306 -5.410 1.00 0.00 C ATOM 874 CD1 PHE A 61 7.407 -1.607 -5.351 1.00 0.00 C ATOM 875 CD2 PHE A 61 5.122 -1.823 -4.704 1.00 0.00 C ATOM 876 CE1 PHE A 61 7.513 -0.450 -4.604 1.00 0.00 C ATOM 877 CE2 PHE A 61 5.223 -0.666 -3.955 1.00 0.00 C ATOM 878 CZ PHE A 61 6.420 0.021 -3.904 1.00 0.00 C ATOM 0 H PHE A 61 3.646 -3.834 -7.625 1.00 0.00 H new ATOM 0 HA PHE A 61 6.220 -2.455 -8.061 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.378 -4.230 -5.752 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.061 -4.079 -6.217 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.266 -1.971 -5.896 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.184 -2.356 -4.739 1.00 0.00 H new ATOM 0 HE1 PHE A 61 8.450 0.086 -4.567 1.00 0.00 H new ATOM 0 HE2 PHE A 61 4.366 -0.299 -3.410 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.501 0.925 -3.318 1.00 0.00 H new ATOM 888 N ASN A 62 7.202 -4.506 -9.137 1.00 0.00 N ATOM 889 CA ASN A 62 7.651 -5.605 -9.984 1.00 0.00 C ATOM 890 C ASN A 62 7.390 -6.950 -9.314 1.00 0.00 C ATOM 891 O ASN A 62 7.139 -7.951 -9.986 1.00 0.00 O ATOM 892 CB ASN A 62 9.142 -5.459 -10.297 1.00 0.00 C ATOM 893 CG ASN A 62 9.394 -4.609 -11.527 1.00 0.00 C ATOM 894 OD1 ASN A 62 8.819 -4.848 -12.589 1.00 0.00 O ATOM 895 ND2 ASN A 62 10.258 -3.610 -11.388 1.00 0.00 N ATOM 0 H ASN A 62 7.866 -3.735 -9.059 1.00 0.00 H new ATOM 0 HA ASN A 62 7.086 -5.567 -10.915 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.648 -5.013 -9.441 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.578 -6.447 -10.446 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.468 -3.004 -12.181 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.711 -3.449 -10.488 1.00 0.00 H new ATOM 902 N SER A 63 7.450 -6.966 -7.987 1.00 0.00 N ATOM 903 CA SER A 63 7.223 -8.189 -7.225 1.00 0.00 C ATOM 904 C SER A 63 7.005 -7.876 -5.748 1.00 0.00 C ATOM 905 O SER A 63 7.345 -6.792 -5.276 1.00 0.00 O ATOM 906 CB SER A 63 8.408 -9.143 -7.388 1.00 0.00 C ATOM 907 OG SER A 63 8.410 -9.739 -8.673 1.00 0.00 O ATOM 0 H SER A 63 7.654 -6.146 -7.416 1.00 0.00 H new ATOM 0 HA SER A 63 6.324 -8.669 -7.612 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.340 -8.599 -7.234 1.00 0.00 H new ATOM 0 HB3 SER A 63 8.362 -9.919 -6.624 1.00 0.00 H new ATOM 0 HG SER A 63 7.659 -9.390 -9.197 1.00 0.00 H new ATOM 913 N GLU A 64 6.436 -8.835 -5.024 1.00 0.00 N ATOM 914 CA GLU A 64 6.172 -8.662 -3.601 1.00 0.00 C ATOM 915 C GLU A 64 7.415 -8.158 -2.874 1.00 0.00 C ATOM 916 O GLU A 64 7.331 -7.286 -2.011 1.00 0.00 O ATOM 917 CB GLU A 64 5.706 -9.982 -2.982 1.00 0.00 C ATOM 918 CG GLU A 64 4.242 -10.294 -3.244 1.00 0.00 C ATOM 919 CD GLU A 64 3.965 -11.783 -3.306 1.00 0.00 C ATOM 920 OE1 GLU A 64 4.691 -12.550 -2.640 1.00 0.00 O ATOM 921 OE2 GLU A 64 3.020 -12.181 -4.019 1.00 0.00 O ATOM 0 H GLU A 64 6.149 -9.739 -5.400 1.00 0.00 H new ATOM 0 HA GLU A 64 5.382 -7.919 -3.492 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.318 -10.794 -3.375 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.875 -9.948 -1.906 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.633 -9.847 -2.458 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.939 -9.832 -4.184 1.00 0.00 H new ATOM 928 N GLU A 65 8.569 -8.715 -3.231 1.00 0.00 N ATOM 929 CA GLU A 65 9.829 -8.323 -2.611 1.00 0.00 C ATOM 930 C GLU A 65 10.037 -6.815 -2.709 1.00 0.00 C ATOM 931 O GLU A 65 10.117 -6.121 -1.695 1.00 0.00 O ATOM 932 CB GLU A 65 10.998 -9.054 -3.275 1.00 0.00 C ATOM 933 CG GLU A 65 11.149 -10.497 -2.823 1.00 0.00 C ATOM 934 CD GLU A 65 12.561 -11.020 -3.003 1.00 0.00 C ATOM 935 OE1 GLU A 65 13.488 -10.449 -2.391 1.00 0.00 O ATOM 936 OE2 GLU A 65 12.739 -12.001 -3.755 1.00 0.00 O ATOM 0 H GLU A 65 8.657 -9.438 -3.945 1.00 0.00 H new ATOM 0 HA GLU A 65 9.788 -8.599 -1.557 1.00 0.00 H new ATOM 0 HB2 GLU A 65 10.862 -9.033 -4.356 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.921 -8.516 -3.060 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.867 -10.576 -1.773 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.459 -11.124 -3.387 1.00 0.00 H new ATOM 943 N ASP A 66 10.125 -6.314 -3.936 1.00 0.00 N ATOM 944 CA ASP A 66 10.323 -4.888 -4.168 1.00 0.00 C ATOM 945 C ASP A 66 9.376 -4.060 -3.305 1.00 0.00 C ATOM 946 O ASP A 66 9.776 -3.059 -2.711 1.00 0.00 O ATOM 947 CB ASP A 66 10.109 -4.554 -5.645 1.00 0.00 C ATOM 948 CG ASP A 66 11.335 -4.847 -6.488 1.00 0.00 C ATOM 949 OD1 ASP A 66 11.498 -6.010 -6.913 1.00 0.00 O ATOM 950 OD2 ASP A 66 12.132 -3.914 -6.721 1.00 0.00 O ATOM 0 H ASP A 66 10.062 -6.875 -4.786 1.00 0.00 H new ATOM 0 HA ASP A 66 11.348 -4.640 -3.892 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.264 -5.128 -6.026 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.848 -3.500 -5.742 1.00 0.00 H new ATOM 955 N ALA A 67 8.118 -4.485 -3.241 1.00 0.00 N ATOM 956 CA ALA A 67 7.114 -3.784 -2.450 1.00 0.00 C ATOM 957 C ALA A 67 7.526 -3.707 -0.984 1.00 0.00 C ATOM 958 O ALA A 67 7.474 -2.642 -0.368 1.00 0.00 O ATOM 959 CB ALA A 67 5.763 -4.470 -2.585 1.00 0.00 C ATOM 0 H ALA A 67 7.770 -5.311 -3.727 1.00 0.00 H new ATOM 0 HA ALA A 67 7.032 -2.766 -2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.023 -3.936 -1.989 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.457 -4.468 -3.631 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.840 -5.498 -2.232 1.00 0.00 H new ATOM 965 N LYS A 68 7.935 -4.843 -0.428 1.00 0.00 N ATOM 966 CA LYS A 68 8.356 -4.905 0.966 1.00 0.00 C ATOM 967 C LYS A 68 9.489 -3.919 1.236 1.00 0.00 C ATOM 968 O LYS A 68 9.417 -3.117 2.167 1.00 0.00 O ATOM 969 CB LYS A 68 8.806 -6.324 1.322 1.00 0.00 C ATOM 970 CG LYS A 68 8.952 -6.559 2.815 1.00 0.00 C ATOM 971 CD LYS A 68 9.830 -7.764 3.106 1.00 0.00 C ATOM 972 CE LYS A 68 10.506 -7.647 4.464 1.00 0.00 C ATOM 973 NZ LYS A 68 11.799 -8.385 4.506 1.00 0.00 N ATOM 0 H LYS A 68 7.984 -5.734 -0.923 1.00 0.00 H new ATOM 0 HA LYS A 68 7.504 -4.633 1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.086 -7.036 0.919 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.760 -6.526 0.836 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.381 -5.673 3.283 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.968 -6.709 3.259 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.226 -8.671 3.076 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.588 -7.860 2.328 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.680 -6.596 4.693 1.00 0.00 H new ATOM 0 HE3 LYS A 68 9.841 -8.036 5.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 12.228 -8.281 5.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.630 -9.393 4.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.443 -7.998 3.787 1.00 0.00 H new ATOM 987 N ALA A 69 10.532 -3.984 0.416 1.00 0.00 N ATOM 988 CA ALA A 69 11.678 -3.095 0.565 1.00 0.00 C ATOM 989 C ALA A 69 11.231 -1.643 0.702 1.00 0.00 C ATOM 990 O ALA A 69 11.913 -0.830 1.326 1.00 0.00 O ATOM 991 CB ALA A 69 12.623 -3.250 -0.616 1.00 0.00 C ATOM 0 H ALA A 69 10.607 -4.643 -0.359 1.00 0.00 H new ATOM 0 HA ALA A 69 12.207 -3.373 1.477 1.00 0.00 H new ATOM 0 HB1 ALA A 69 13.474 -2.580 -0.491 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.976 -4.280 -0.667 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.097 -3.001 -1.538 1.00 0.00 H new ATOM 997 N ALA A 70 10.083 -1.324 0.113 1.00 0.00 N ATOM 998 CA ALA A 70 9.546 0.030 0.171 1.00 0.00 C ATOM 999 C ALA A 70 8.696 0.230 1.421 1.00 0.00 C ATOM 1000 O ALA A 70 8.595 1.340 1.944 1.00 0.00 O ATOM 1001 CB ALA A 70 8.729 0.327 -1.078 1.00 0.00 C ATOM 0 H ALA A 70 9.507 -1.984 -0.409 1.00 0.00 H new ATOM 0 HA ALA A 70 10.384 0.725 0.218 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.334 1.341 -1.022 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.364 0.233 -1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.903 -0.381 -1.149 1.00 0.00 H new ATOM 1007 N LYS A 71 8.084 -0.850 1.895 1.00 0.00 N ATOM 1008 CA LYS A 71 7.243 -0.794 3.084 1.00 0.00 C ATOM 1009 C LYS A 71 8.076 -0.502 4.327 1.00 0.00 C ATOM 1010 O LYS A 71 7.708 0.336 5.149 1.00 0.00 O ATOM 1011 CB LYS A 71 6.487 -2.113 3.261 1.00 0.00 C ATOM 1012 CG LYS A 71 5.634 -2.160 4.517 1.00 0.00 C ATOM 1013 CD LYS A 71 4.458 -3.110 4.357 1.00 0.00 C ATOM 1014 CE LYS A 71 4.870 -4.553 4.607 1.00 0.00 C ATOM 1015 NZ LYS A 71 5.145 -4.810 6.048 1.00 0.00 N ATOM 0 H LYS A 71 8.155 -1.776 1.473 1.00 0.00 H new ATOM 0 HA LYS A 71 6.524 0.015 2.953 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.849 -2.276 2.392 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.205 -2.933 3.288 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.246 -2.476 5.362 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.266 -1.160 4.746 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.666 -2.831 5.052 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.047 -3.017 3.352 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.080 -5.221 4.263 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.760 -4.783 4.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.122 -5.834 6.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.084 -4.436 6.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.422 -4.340 6.629 1.00 0.00 H new ATOM 1029 N GLU A 72 9.201 -1.198 4.457 1.00 0.00 N ATOM 1030 CA GLU A 72 10.087 -1.012 5.600 1.00 0.00 C ATOM 1031 C GLU A 72 10.586 0.428 5.673 1.00 0.00 C ATOM 1032 O GLU A 72 10.788 0.972 6.759 1.00 0.00 O ATOM 1033 CB GLU A 72 11.276 -1.972 5.514 1.00 0.00 C ATOM 1034 CG GLU A 72 10.877 -3.411 5.235 1.00 0.00 C ATOM 1035 CD GLU A 72 10.686 -4.220 6.504 1.00 0.00 C ATOM 1036 OE1 GLU A 72 9.620 -4.086 7.139 1.00 0.00 O ATOM 1037 OE2 GLU A 72 11.605 -4.988 6.861 1.00 0.00 O ATOM 0 H GLU A 72 9.520 -1.896 3.785 1.00 0.00 H new ATOM 0 HA GLU A 72 9.520 -1.228 6.505 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.951 -1.632 4.728 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.832 -1.933 6.451 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.952 -3.422 4.659 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.642 -3.883 4.619 1.00 0.00 H new ATOM 1044 N ALA A 73 10.783 1.039 4.510 1.00 0.00 N ATOM 1045 CA ALA A 73 11.257 2.416 4.441 1.00 0.00 C ATOM 1046 C ALA A 73 10.118 3.401 4.680 1.00 0.00 C ATOM 1047 O ALA A 73 10.175 4.219 5.597 1.00 0.00 O ATOM 1048 CB ALA A 73 11.913 2.682 3.094 1.00 0.00 C ATOM 0 H ALA A 73 10.622 0.602 3.602 1.00 0.00 H new ATOM 0 HA ALA A 73 11.998 2.559 5.228 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.262 3.714 3.057 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.759 2.008 2.962 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.188 2.515 2.297 1.00 0.00 H new ATOM 1054 N MET A 74 9.085 3.317 3.848 1.00 0.00 N ATOM 1055 CA MET A 74 7.932 4.201 3.970 1.00 0.00 C ATOM 1056 C MET A 74 7.027 3.760 5.116 1.00 0.00 C ATOM 1057 O MET A 74 5.943 4.309 5.309 1.00 0.00 O ATOM 1058 CB MET A 74 7.141 4.227 2.661 1.00 0.00 C ATOM 1059 CG MET A 74 7.674 5.227 1.648 1.00 0.00 C ATOM 1060 SD MET A 74 7.470 6.936 2.185 1.00 0.00 S ATOM 1061 CE MET A 74 5.698 7.133 2.020 1.00 0.00 C ATOM 0 H MET A 74 9.023 2.646 3.082 1.00 0.00 H new ATOM 0 HA MET A 74 8.297 5.205 4.185 1.00 0.00 H new ATOM 0 HB2 MET A 74 7.155 3.231 2.218 1.00 0.00 H new ATOM 0 HB3 MET A 74 6.100 4.464 2.880 1.00 0.00 H new ATOM 0 HG2 MET A 74 8.731 5.030 1.470 1.00 0.00 H new ATOM 0 HG3 MET A 74 7.159 5.085 0.698 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.445 8.193 2.054 1.00 0.00 H new ATOM 0 HE2 MET A 74 5.372 6.713 1.068 1.00 0.00 H new ATOM 0 HE3 MET A 74 5.197 6.614 2.837 1.00 0.00 H new ATOM 1071 N GLU A 75 7.481 2.766 5.874 1.00 0.00 N ATOM 1072 CA GLU A 75 6.710 2.252 7.000 1.00 0.00 C ATOM 1073 C GLU A 75 6.106 3.394 7.813 1.00 0.00 C ATOM 1074 O GLU A 75 4.937 3.346 8.196 1.00 0.00 O ATOM 1075 CB GLU A 75 7.594 1.384 7.898 1.00 0.00 C ATOM 1076 CG GLU A 75 8.791 2.124 8.471 1.00 0.00 C ATOM 1077 CD GLU A 75 9.609 1.266 9.417 1.00 0.00 C ATOM 1078 OE1 GLU A 75 9.012 0.634 10.313 1.00 0.00 O ATOM 1079 OE2 GLU A 75 10.848 1.225 9.259 1.00 0.00 O ATOM 0 H GLU A 75 8.377 2.302 5.729 1.00 0.00 H new ATOM 0 HA GLU A 75 5.898 1.643 6.603 1.00 0.00 H new ATOM 0 HB2 GLU A 75 6.992 0.994 8.718 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.947 0.526 7.326 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.427 2.466 7.654 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.445 3.013 8.999 1.00 0.00 H new ATOM 1086 N ASP A 76 6.912 4.418 8.072 1.00 0.00 N ATOM 1087 CA ASP A 76 6.458 5.572 8.839 1.00 0.00 C ATOM 1088 C ASP A 76 6.556 6.848 8.009 1.00 0.00 C ATOM 1089 O ASP A 76 6.594 7.952 8.551 1.00 0.00 O ATOM 1090 CB ASP A 76 7.283 5.717 10.119 1.00 0.00 C ATOM 1091 CG ASP A 76 6.967 4.638 11.136 1.00 0.00 C ATOM 1092 OD1 ASP A 76 5.769 4.370 11.365 1.00 0.00 O ATOM 1093 OD2 ASP A 76 7.919 4.061 11.703 1.00 0.00 O ATOM 0 H ASP A 76 7.882 4.472 7.762 1.00 0.00 H new ATOM 0 HA ASP A 76 5.413 5.412 9.106 1.00 0.00 H new ATOM 0 HB2 ASP A 76 8.344 5.679 9.871 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.094 6.695 10.561 1.00 0.00 H new ATOM 1098 N GLY A 77 6.597 6.688 6.689 1.00 0.00 N ATOM 1099 CA GLY A 77 6.691 7.836 5.806 1.00 0.00 C ATOM 1100 C GLY A 77 5.380 8.587 5.690 1.00 0.00 C ATOM 1101 O GLY A 77 4.323 8.060 6.033 1.00 0.00 O ATOM 0 H GLY A 77 6.567 5.785 6.216 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.462 8.512 6.175 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.005 7.504 4.816 1.00 0.00 H new ATOM 1105 N GLU A 78 5.449 9.824 5.205 1.00 0.00 N ATOM 1106 CA GLU A 78 4.257 10.649 5.048 1.00 0.00 C ATOM 1107 C GLU A 78 4.286 11.398 3.718 1.00 0.00 C ATOM 1108 O GLU A 78 5.173 12.216 3.473 1.00 0.00 O ATOM 1109 CB GLU A 78 4.143 11.645 6.204 1.00 0.00 C ATOM 1110 CG GLU A 78 5.438 12.381 6.503 1.00 0.00 C ATOM 1111 CD GLU A 78 5.276 13.431 7.585 1.00 0.00 C ATOM 1112 OE1 GLU A 78 4.415 13.244 8.470 1.00 0.00 O ATOM 1113 OE2 GLU A 78 6.011 14.441 7.546 1.00 0.00 O ATOM 0 H GLU A 78 6.316 10.275 4.915 1.00 0.00 H new ATOM 0 HA GLU A 78 3.387 9.992 5.057 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.367 12.373 5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.822 11.114 7.100 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.197 11.662 6.810 1.00 0.00 H new ATOM 0 HG3 GLU A 78 5.800 12.857 5.592 1.00 0.00 H new ATOM 1120 N ILE A 79 3.309 11.111 2.864 1.00 0.00 N ATOM 1121 CA ILE A 79 3.222 11.757 1.560 1.00 0.00 C ATOM 1122 C ILE A 79 2.426 13.055 1.642 1.00 0.00 C ATOM 1123 O ILE A 79 1.415 13.132 2.339 1.00 0.00 O ATOM 1124 CB ILE A 79 2.569 10.832 0.516 1.00 0.00 C ATOM 1125 CG1 ILE A 79 3.201 9.440 0.570 1.00 0.00 C ATOM 1126 CG2 ILE A 79 2.703 11.428 -0.877 1.00 0.00 C ATOM 1127 CD1 ILE A 79 2.656 8.488 -0.472 1.00 0.00 C ATOM 0 H ILE A 79 2.567 10.436 3.051 1.00 0.00 H new ATOM 0 HA ILE A 79 4.243 11.979 1.249 1.00 0.00 H new ATOM 0 HB ILE A 79 1.508 10.737 0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.279 9.534 0.437 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.038 9.014 1.560 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.237 10.763 -1.604 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.210 12.400 -0.906 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.758 11.549 -1.121 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.149 7.521 -0.375 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.583 8.364 -0.326 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.843 8.892 -1.467 1.00 0.00 H new ATOM 1139 N ASP A 80 2.888 14.072 0.923 1.00 0.00 N ATOM 1140 CA ASP A 80 2.218 15.367 0.911 1.00 0.00 C ATOM 1141 C ASP A 80 2.002 15.880 2.331 1.00 0.00 C ATOM 1142 O ASP A 80 0.949 16.429 2.651 1.00 0.00 O ATOM 1143 CB ASP A 80 0.876 15.264 0.183 1.00 0.00 C ATOM 1144 CG ASP A 80 0.319 16.622 -0.197 1.00 0.00 C ATOM 1145 OD1 ASP A 80 1.104 17.591 -0.257 1.00 0.00 O ATOM 1146 OD2 ASP A 80 -0.903 16.715 -0.436 1.00 0.00 O ATOM 0 H ASP A 80 3.724 14.025 0.341 1.00 0.00 H new ATOM 0 HA ASP A 80 2.857 16.074 0.382 1.00 0.00 H new ATOM 0 HB2 ASP A 80 0.999 14.660 -0.716 1.00 0.00 H new ATOM 0 HB3 ASP A 80 0.159 14.745 0.820 1.00 0.00 H new ATOM 1151 N GLY A 81 3.009 15.697 3.181 1.00 0.00 N ATOM 1152 CA GLY A 81 2.909 16.146 4.557 1.00 0.00 C ATOM 1153 C GLY A 81 1.830 15.412 5.329 1.00 0.00 C ATOM 1154 O GLY A 81 1.320 15.918 6.328 1.00 0.00 O ATOM 0 H GLY A 81 3.892 15.246 2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.869 16.002 5.054 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.699 17.215 4.573 1.00 0.00 H new ATOM 1158 N ASN A 82 1.481 14.217 4.865 1.00 0.00 N ATOM 1159 CA ASN A 82 0.454 13.413 5.518 1.00 0.00 C ATOM 1160 C ASN A 82 0.940 11.984 5.739 1.00 0.00 C ATOM 1161 O ASN A 82 1.523 11.369 4.846 1.00 0.00 O ATOM 1162 CB ASN A 82 -0.826 13.405 4.680 1.00 0.00 C ATOM 1163 CG ASN A 82 -1.713 14.601 4.967 1.00 0.00 C ATOM 1164 OD1 ASN A 82 -1.506 15.321 5.943 1.00 0.00 O ATOM 1165 ND2 ASN A 82 -2.708 14.817 4.114 1.00 0.00 N ATOM 0 H ASN A 82 1.894 13.784 4.039 1.00 0.00 H new ATOM 0 HA ASN A 82 0.242 13.859 6.489 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.564 13.396 3.622 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.381 12.488 4.879 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -3.338 15.606 4.255 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -2.842 14.193 3.318 1.00 0.00 H new ATOM 1172 N LYS A 83 0.696 11.460 6.935 1.00 0.00 N ATOM 1173 CA LYS A 83 1.106 10.103 7.275 1.00 0.00 C ATOM 1174 C LYS A 83 0.344 9.079 6.439 1.00 0.00 C ATOM 1175 O LYS A 83 -0.868 9.189 6.258 1.00 0.00 O ATOM 1176 CB LYS A 83 0.873 9.835 8.764 1.00 0.00 C ATOM 1177 CG LYS A 83 2.008 10.315 9.652 1.00 0.00 C ATOM 1178 CD LYS A 83 3.160 9.325 9.669 1.00 0.00 C ATOM 1179 CE LYS A 83 3.942 9.401 10.972 1.00 0.00 C ATOM 1180 NZ LYS A 83 5.323 8.864 10.822 1.00 0.00 N ATOM 0 H LYS A 83 0.216 11.955 7.686 1.00 0.00 H new ATOM 0 HA LYS A 83 2.170 10.006 7.057 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.051 10.324 9.073 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.732 8.765 8.915 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.364 11.283 9.298 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.639 10.463 10.667 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.775 8.314 9.533 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.827 9.527 8.831 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.990 10.437 11.307 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.416 8.840 11.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.435 8.021 11.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.490 8.607 9.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.011 9.588 11.112 1.00 0.00 H new ATOM 1194 N VAL A 84 1.064 8.082 5.932 1.00 0.00 N ATOM 1195 CA VAL A 84 0.455 7.038 5.118 1.00 0.00 C ATOM 1196 C VAL A 84 0.726 5.656 5.704 1.00 0.00 C ATOM 1197 O VAL A 84 1.781 5.415 6.292 1.00 0.00 O ATOM 1198 CB VAL A 84 0.977 7.080 3.669 1.00 0.00 C ATOM 1199 CG1 VAL A 84 0.718 8.444 3.048 1.00 0.00 C ATOM 1200 CG2 VAL A 84 2.459 6.738 3.627 1.00 0.00 C ATOM 0 H VAL A 84 2.069 7.976 6.071 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.619 7.225 5.115 1.00 0.00 H new ATOM 0 HB VAL A 84 0.439 6.334 3.085 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.093 8.455 2.025 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.353 8.644 3.044 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.228 9.212 3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.811 6.772 2.596 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.016 7.459 4.225 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.613 5.737 4.030 1.00 0.00 H new ATOM 1210 N THR A 85 -0.233 4.751 5.539 1.00 0.00 N ATOM 1211 CA THR A 85 -0.099 3.393 6.052 1.00 0.00 C ATOM 1212 C THR A 85 -0.059 2.378 4.915 1.00 0.00 C ATOM 1213 O THR A 85 -1.020 2.242 4.156 1.00 0.00 O ATOM 1214 CB THR A 85 -1.256 3.036 7.004 1.00 0.00 C ATOM 1215 OG1 THR A 85 -1.241 3.905 8.141 1.00 0.00 O ATOM 1216 CG2 THR A 85 -1.152 1.589 7.463 1.00 0.00 C ATOM 0 H THR A 85 -1.111 4.934 5.054 1.00 0.00 H new ATOM 0 HA THR A 85 0.840 3.354 6.603 1.00 0.00 H new ATOM 0 HB THR A 85 -2.194 3.163 6.464 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.981 3.672 8.740 1.00 0.00 H new ATOM 0 HG21 THR A 85 -1.980 1.360 8.134 1.00 0.00 H new ATOM 0 HG22 THR A 85 -1.194 0.929 6.597 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.208 1.441 7.987 1.00 0.00 H new ATOM 1224 N LEU A 86 1.057 1.667 4.803 1.00 0.00 N ATOM 1225 CA LEU A 86 1.222 0.662 3.759 1.00 0.00 C ATOM 1226 C LEU A 86 0.815 -0.719 4.263 1.00 0.00 C ATOM 1227 O LEU A 86 1.374 -1.225 5.236 1.00 0.00 O ATOM 1228 CB LEU A 86 2.674 0.633 3.276 1.00 0.00 C ATOM 1229 CG LEU A 86 3.438 1.955 3.369 1.00 0.00 C ATOM 1230 CD1 LEU A 86 4.894 1.758 2.976 1.00 0.00 C ATOM 1231 CD2 LEU A 86 2.784 3.012 2.492 1.00 0.00 C ATOM 0 H LEU A 86 1.861 1.768 5.422 1.00 0.00 H new ATOM 0 HA LEU A 86 0.573 0.930 2.925 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.214 -0.117 3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.684 0.303 2.237 1.00 0.00 H new ATOM 0 HG LEU A 86 3.406 2.300 4.402 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.422 2.709 3.048 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.357 1.034 3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.948 1.390 1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.341 3.946 2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.784 2.676 1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.757 3.173 2.821 1.00 0.00 H new ATOM 1243 N ASP A 87 -0.160 -1.324 3.593 1.00 0.00 N ATOM 1244 CA ASP A 87 -0.640 -2.648 3.970 1.00 0.00 C ATOM 1245 C ASP A 87 -0.834 -3.527 2.738 1.00 0.00 C ATOM 1246 O ASP A 87 -1.353 -3.075 1.718 1.00 0.00 O ATOM 1247 CB ASP A 87 -1.953 -2.536 4.745 1.00 0.00 C ATOM 1248 CG ASP A 87 -2.779 -3.805 4.671 1.00 0.00 C ATOM 1249 OD1 ASP A 87 -2.509 -4.737 5.458 1.00 0.00 O ATOM 1250 OD2 ASP A 87 -3.697 -3.867 3.826 1.00 0.00 O ATOM 0 H ASP A 87 -0.633 -0.918 2.786 1.00 0.00 H new ATOM 0 HA ASP A 87 0.111 -3.112 4.609 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.737 -2.307 5.789 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.535 -1.704 4.350 1.00 0.00 H new ATOM 1255 N TRP A 88 -0.415 -4.783 2.842 1.00 0.00 N ATOM 1256 CA TRP A 88 -0.542 -5.725 1.736 1.00 0.00 C ATOM 1257 C TRP A 88 -1.998 -5.863 1.304 1.00 0.00 C ATOM 1258 O TRP A 88 -2.847 -6.295 2.083 1.00 0.00 O ATOM 1259 CB TRP A 88 0.017 -7.091 2.135 1.00 0.00 C ATOM 1260 CG TRP A 88 1.479 -7.062 2.461 1.00 0.00 C ATOM 1261 CD1 TRP A 88 2.060 -7.390 3.653 1.00 0.00 C ATOM 1262 CD2 TRP A 88 2.546 -6.684 1.584 1.00 0.00 C ATOM 1263 NE1 TRP A 88 3.423 -7.237 3.570 1.00 0.00 N ATOM 1264 CE2 TRP A 88 3.746 -6.806 2.311 1.00 0.00 C ATOM 1265 CE3 TRP A 88 2.603 -6.255 0.255 1.00 0.00 C ATOM 1266 CZ2 TRP A 88 4.987 -6.514 1.751 1.00 0.00 C ATOM 1267 CZ3 TRP A 88 3.836 -5.966 -0.298 1.00 0.00 C ATOM 1268 CH2 TRP A 88 5.014 -6.097 0.448 1.00 0.00 C ATOM 0 H TRP A 88 0.015 -5.173 3.681 1.00 0.00 H new ATOM 0 HA TRP A 88 0.032 -5.338 0.894 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -0.533 -7.462 2.999 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -0.153 -7.797 1.322 1.00 0.00 H new ATOM 0 HD1 TRP A 88 1.526 -7.721 4.532 1.00 0.00 H new ATOM 0 HE1 TRP A 88 4.087 -7.415 4.324 1.00 0.00 H new ATOM 0 HE3 TRP A 88 1.700 -6.151 -0.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 5.896 -6.613 2.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 3.892 -5.633 -1.324 1.00 0.00 H new ATOM 0 HH2 TRP A 88 5.962 -5.864 -0.014 1.00 0.00 H new ATOM 1279 N ALA A 89 -2.279 -5.496 0.058 1.00 0.00 N ATOM 1280 CA ALA A 89 -3.632 -5.582 -0.477 1.00 0.00 C ATOM 1281 C ALA A 89 -4.189 -6.995 -0.337 1.00 0.00 C ATOM 1282 O ALA A 89 -3.907 -7.868 -1.158 1.00 0.00 O ATOM 1283 CB ALA A 89 -3.652 -5.146 -1.934 1.00 0.00 C ATOM 0 H ALA A 89 -1.587 -5.136 -0.600 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.268 -4.911 0.100 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.669 -5.215 -2.321 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.304 -4.116 -2.010 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.997 -5.794 -2.517 1.00 0.00 H new