USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 556 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 272 THR OG1 : rot 130:sc= -0.203 USER MOD Set 1.2: A 304 ASN : amide:sc= -3.7! C(o=-3.9!,f=-12!) USER MOD Set 2.1: A 288 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 293 GLN :FLIP amide:sc= -1.17 F(o=-3.8!,f=-1.2) USER MOD Single : A 254 CYS SG : rot 59:sc= -0.648 USER MOD Single : A 257 SER OG : rot -42:sc= 1.1 USER MOD Single : A 261 MET CE :methyl 180:sc= -0.833 (180deg=-0.833) USER MOD Single : A 262 LYS NZ :NH3+ 154:sc= 1.1 (180deg=0.985) USER MOD Single : A 268 SER OG : rot 148:sc= 1.05 USER MOD Single : A 269 THR OG1 : rot 57:sc= -1.7! USER MOD Single : A 271 GLN :FLIP amide:sc= -1.87 F(o=-6.2!,f=-1.9) USER MOD Single : A 273 TYR OH : rot 30:sc= -0.113 USER MOD Single : A 276 SER OG : rot 80:sc= 1.17 USER MOD Single : A 277 SER OG : rot -143:sc= 1.17 USER MOD Single : A 279 GLN : amide:sc= -3.08! C(o=-3.1!,f=-8.4!) USER MOD Single : A 280 LYS NZ :NH3+ -164:sc= -0.0237 (180deg=-0.269) USER MOD Single : A 286 HIS :FLIP no HD1:sc=-0.00146 F(o=-0.59,f=-0.0015) USER MOD Single : A 287 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 289 CYS SG : rot 95:sc= -3.26! USER MOD Single : A 291 LYS NZ :NH3+ -139:sc= 0.409 (180deg=-0.121) USER MOD Single : A 292 SER OG : rot 180:sc= 0 USER MOD Single : A 295 THR OG1 : rot 180:sc= 0 USER MOD Single : A 298 HIS : no HD1:sc= -0.314 X(o=-0.31,f=-0.3) USER MOD Single : A 302 THR OG1 : rot 180:sc= 0 USER MOD Single : A 305 TYR OH : rot 180:sc= 0 USER MOD Single : A 308 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 309 SER OG : rot 85:sc= 0.0556 USER MOD Single : A 315 CYS SG : rot -64:sc= -0.395 USER MOD Single : A 317 SER OG : rot 66:sc= 0.751 USER MOD Single : A 318 ASN : amide:sc= 0 X(o=0,f=-0.0017) USER MOD ----------------------------------------------------------------- ATOM 120 N PHE A 252 2.573 -7.347 0.327 1.00 0.00 N ATOM 121 CA PHE A 252 1.230 -7.813 0.658 1.00 0.00 C ATOM 122 C PHE A 252 0.491 -6.824 1.547 1.00 0.00 C ATOM 123 O PHE A 252 -0.326 -6.039 1.071 1.00 0.00 O ATOM 124 CB PHE A 252 1.262 -9.178 1.343 1.00 0.00 C ATOM 125 CG PHE A 252 1.381 -10.333 0.393 1.00 0.00 C ATOM 126 CD1 PHE A 252 0.796 -10.275 -0.860 1.00 0.00 C ATOM 127 CD2 PHE A 252 2.063 -11.480 0.757 1.00 0.00 C ATOM 128 CE1 PHE A 252 0.892 -11.342 -1.734 1.00 0.00 C ATOM 129 CE2 PHE A 252 2.161 -12.550 -0.109 1.00 0.00 C ATOM 130 CZ PHE A 252 1.574 -12.482 -1.357 1.00 0.00 C ATOM 0 HA PHE A 252 0.696 -7.902 -0.288 1.00 0.00 H new ATOM 0 HB2 PHE A 252 2.101 -9.205 2.039 1.00 0.00 H new ATOM 0 HB3 PHE A 252 0.354 -9.298 1.934 1.00 0.00 H new ATOM 0 HD1 PHE A 252 0.259 -9.387 -1.158 1.00 0.00 H new ATOM 0 HD2 PHE A 252 2.525 -11.539 1.732 1.00 0.00 H new ATOM 0 HE1 PHE A 252 0.434 -11.284 -2.710 1.00 0.00 H new ATOM 0 HE2 PHE A 252 2.696 -13.439 0.189 1.00 0.00 H new ATOM 0 HZ PHE A 252 1.648 -13.318 -2.036 1.00 0.00 H new ATOM 140 N ARG A 253 0.781 -6.861 2.840 1.00 0.00 N ATOM 141 CA ARG A 253 0.059 -6.035 3.795 1.00 0.00 C ATOM 142 C ARG A 253 0.409 -4.574 3.629 1.00 0.00 C ATOM 143 O ARG A 253 1.566 -4.219 3.428 1.00 0.00 O ATOM 144 CB ARG A 253 0.345 -6.461 5.231 1.00 0.00 C ATOM 145 CG ARG A 253 -0.456 -7.661 5.688 1.00 0.00 C ATOM 146 CD ARG A 253 -0.219 -7.933 7.159 1.00 0.00 C ATOM 147 NE ARG A 253 -0.817 -9.198 7.602 1.00 0.00 N ATOM 148 CZ ARG A 253 -0.110 -10.266 7.988 1.00 0.00 C ATOM 149 NH1 ARG A 253 1.217 -10.249 7.923 1.00 0.00 N ATOM 150 NH2 ARG A 253 -0.728 -11.355 8.435 1.00 0.00 N ATOM 0 H ARG A 253 1.506 -7.450 3.249 1.00 0.00 H new ATOM 0 HA ARG A 253 -1.003 -6.173 3.592 1.00 0.00 H new ATOM 0 HB2 ARG A 253 1.407 -6.688 5.327 1.00 0.00 H new ATOM 0 HB3 ARG A 253 0.136 -5.623 5.896 1.00 0.00 H new ATOM 0 HG2 ARG A 253 -1.517 -7.485 5.512 1.00 0.00 H new ATOM 0 HG3 ARG A 253 -0.176 -8.536 5.101 1.00 0.00 H new ATOM 0 HD2 ARG A 253 0.853 -7.955 7.353 1.00 0.00 H new ATOM 0 HD3 ARG A 253 -0.633 -7.114 7.747 1.00 0.00 H new ATOM 0 HE ARG A 253 -1.835 -9.267 7.616 1.00 0.00 H new ATOM 0 HH11 ARG A 253 1.700 -9.420 7.578 1.00 0.00 H new ATOM 0 HH12 ARG A 253 1.753 -11.065 8.218 1.00 0.00 H new ATOM 0 HH21 ARG A 253 -1.746 -11.379 8.485 1.00 0.00 H new ATOM 0 HH22 ARG A 253 -0.184 -12.166 8.728 1.00 0.00 H new ATOM 164 N CYS A 254 -0.606 -3.735 3.724 1.00 0.00 N ATOM 165 CA CYS A 254 -0.416 -2.305 3.683 1.00 0.00 C ATOM 166 C CYS A 254 0.094 -1.836 5.038 1.00 0.00 C ATOM 167 O CYS A 254 -0.585 -1.995 6.056 1.00 0.00 O ATOM 168 CB CYS A 254 -1.727 -1.609 3.314 1.00 0.00 C ATOM 169 SG CYS A 254 -1.596 0.174 3.067 1.00 0.00 S ATOM 0 H CYS A 254 -1.577 -4.027 3.831 1.00 0.00 H new ATOM 0 HA CYS A 254 0.320 -2.049 2.921 1.00 0.00 H new ATOM 0 HB2 CYS A 254 -2.117 -2.060 2.401 1.00 0.00 H new ATOM 0 HB3 CYS A 254 -2.457 -1.800 4.101 1.00 0.00 H new ATOM 0 HG CYS A 254 -0.742 0.419 2.118 1.00 0.00 H new ATOM 175 N PRO A 255 1.324 -1.300 5.069 1.00 0.00 N ATOM 176 CA PRO A 255 1.979 -0.825 6.301 1.00 0.00 C ATOM 177 C PRO A 255 1.281 0.373 6.954 1.00 0.00 C ATOM 178 O PRO A 255 1.850 1.023 7.832 1.00 0.00 O ATOM 179 CB PRO A 255 3.386 -0.422 5.826 1.00 0.00 C ATOM 180 CG PRO A 255 3.567 -1.121 4.526 1.00 0.00 C ATOM 181 CD PRO A 255 2.207 -1.161 3.901 1.00 0.00 C ATOM 0 HA PRO A 255 1.963 -1.597 7.070 1.00 0.00 H new ATOM 0 HB2 PRO A 255 3.469 0.658 5.708 1.00 0.00 H new ATOM 0 HB3 PRO A 255 4.147 -0.723 6.546 1.00 0.00 H new ATOM 0 HG2 PRO A 255 4.276 -0.590 3.890 1.00 0.00 H new ATOM 0 HG3 PRO A 255 3.961 -2.127 4.673 1.00 0.00 H new ATOM 0 HD2 PRO A 255 1.993 -0.254 3.336 1.00 0.00 H new ATOM 0 HD3 PRO A 255 2.102 -1.998 3.211 1.00 0.00 H new ATOM 189 N ILE A 256 0.056 0.662 6.540 1.00 0.00 N ATOM 190 CA ILE A 256 -0.695 1.757 7.125 1.00 0.00 C ATOM 191 C ILE A 256 -1.494 1.274 8.338 1.00 0.00 C ATOM 192 O ILE A 256 -1.317 1.790 9.443 1.00 0.00 O ATOM 193 CB ILE A 256 -1.656 2.419 6.111 1.00 0.00 C ATOM 194 CG1 ILE A 256 -0.914 2.836 4.832 1.00 0.00 C ATOM 195 CG2 ILE A 256 -2.340 3.622 6.747 1.00 0.00 C ATOM 196 CD1 ILE A 256 0.004 4.032 4.984 1.00 0.00 C ATOM 0 H ILE A 256 -0.435 0.154 5.804 1.00 0.00 H new ATOM 0 HA ILE A 256 0.034 2.505 7.436 1.00 0.00 H new ATOM 0 HB ILE A 256 -2.414 1.687 5.832 1.00 0.00 H new ATOM 0 HG12 ILE A 256 -0.326 1.989 4.479 1.00 0.00 H new ATOM 0 HG13 ILE A 256 -1.650 3.058 4.059 1.00 0.00 H new ATOM 0 HG21 ILE A 256 -3.015 4.081 6.024 1.00 0.00 H new ATOM 0 HG22 ILE A 256 -2.908 3.299 7.619 1.00 0.00 H new ATOM 0 HG23 ILE A 256 -1.587 4.349 7.053 1.00 0.00 H new ATOM 0 HD11 ILE A 256 0.481 4.248 4.028 1.00 0.00 H new ATOM 0 HD12 ILE A 256 -0.576 4.898 5.304 1.00 0.00 H new ATOM 0 HD13 ILE A 256 0.768 3.812 5.730 1.00 0.00 H new ATOM 208 N SER A 257 -2.366 0.280 8.144 1.00 0.00 N ATOM 209 CA SER A 257 -3.230 -0.168 9.231 1.00 0.00 C ATOM 210 C SER A 257 -3.717 -1.620 9.064 1.00 0.00 C ATOM 211 O SER A 257 -4.768 -1.976 9.606 1.00 0.00 O ATOM 212 CB SER A 257 -4.432 0.784 9.334 1.00 0.00 C ATOM 213 OG SER A 257 -5.271 0.455 10.430 1.00 0.00 O ATOM 0 H SER A 257 -2.489 -0.218 7.263 1.00 0.00 H new ATOM 0 HA SER A 257 -2.640 -0.149 10.147 1.00 0.00 H new ATOM 0 HB2 SER A 257 -4.076 1.809 9.443 1.00 0.00 H new ATOM 0 HB3 SER A 257 -5.008 0.743 8.410 1.00 0.00 H new ATOM 0 HG SER A 257 -5.377 -0.518 10.480 1.00 0.00 H new ATOM 219 N LEU A 258 -2.956 -2.466 8.352 1.00 0.00 N ATOM 220 CA LEU A 258 -3.333 -3.873 8.185 1.00 0.00 C ATOM 221 C LEU A 258 -4.639 -3.971 7.395 1.00 0.00 C ATOM 222 O LEU A 258 -5.472 -4.849 7.614 1.00 0.00 O ATOM 223 CB LEU A 258 -3.464 -4.560 9.557 1.00 0.00 C ATOM 224 CG LEU A 258 -3.896 -6.027 9.536 1.00 0.00 C ATOM 225 CD1 LEU A 258 -2.884 -6.872 8.791 1.00 0.00 C ATOM 226 CD2 LEU A 258 -4.094 -6.552 10.948 1.00 0.00 C ATOM 0 H LEU A 258 -2.086 -2.202 7.889 1.00 0.00 H new ATOM 0 HA LEU A 258 -2.552 -4.388 7.626 1.00 0.00 H new ATOM 0 HB2 LEU A 258 -2.503 -4.492 10.068 1.00 0.00 H new ATOM 0 HB3 LEU A 258 -4.183 -3.999 10.154 1.00 0.00 H new ATOM 0 HG LEU A 258 -4.849 -6.092 9.012 1.00 0.00 H new ATOM 0 HD11 LEU A 258 -3.210 -7.912 8.788 1.00 0.00 H new ATOM 0 HD12 LEU A 258 -2.798 -6.516 7.765 1.00 0.00 H new ATOM 0 HD13 LEU A 258 -1.915 -6.797 9.284 1.00 0.00 H new ATOM 0 HD21 LEU A 258 -4.401 -7.597 10.908 1.00 0.00 H new ATOM 0 HD22 LEU A 258 -3.159 -6.470 11.501 1.00 0.00 H new ATOM 0 HD23 LEU A 258 -4.865 -5.966 11.449 1.00 0.00 H new ATOM 238 N GLU A 259 -4.791 -3.074 6.449 1.00 0.00 N ATOM 239 CA GLU A 259 -5.992 -3.035 5.629 1.00 0.00 C ATOM 240 C GLU A 259 -5.726 -3.722 4.305 1.00 0.00 C ATOM 241 O GLU A 259 -6.634 -3.913 3.506 1.00 0.00 O ATOM 242 CB GLU A 259 -6.465 -1.597 5.385 1.00 0.00 C ATOM 243 CG GLU A 259 -5.470 -0.720 4.629 1.00 0.00 C ATOM 244 CD GLU A 259 -4.334 -0.206 5.494 1.00 0.00 C ATOM 245 OE1 GLU A 259 -3.373 -0.967 5.745 1.00 0.00 O ATOM 246 OE2 GLU A 259 -4.384 0.965 5.908 1.00 0.00 O ATOM 0 H GLU A 259 -4.100 -2.358 6.223 1.00 0.00 H new ATOM 0 HA GLU A 259 -6.784 -3.558 6.165 1.00 0.00 H new ATOM 0 HB2 GLU A 259 -7.401 -1.626 4.827 1.00 0.00 H new ATOM 0 HB3 GLU A 259 -6.682 -1.132 6.347 1.00 0.00 H new ATOM 0 HG2 GLU A 259 -5.054 -1.290 3.798 1.00 0.00 H new ATOM 0 HG3 GLU A 259 -6.001 0.129 4.199 1.00 0.00 H new ATOM 253 N LEU A 260 -4.455 -4.073 4.115 1.00 0.00 N ATOM 254 CA LEU A 260 -3.954 -4.731 2.909 1.00 0.00 C ATOM 255 C LEU A 260 -4.596 -4.183 1.639 1.00 0.00 C ATOM 256 O LEU A 260 -5.647 -4.648 1.195 1.00 0.00 O ATOM 257 CB LEU A 260 -4.108 -6.249 2.994 1.00 0.00 C ATOM 258 CG LEU A 260 -3.183 -7.033 2.056 1.00 0.00 C ATOM 259 CD1 LEU A 260 -2.813 -8.374 2.656 1.00 0.00 C ATOM 260 CD2 LEU A 260 -3.829 -7.234 0.697 1.00 0.00 C ATOM 0 H LEU A 260 -3.729 -3.904 4.811 1.00 0.00 H new ATOM 0 HA LEU A 260 -2.889 -4.504 2.850 1.00 0.00 H new ATOM 0 HB2 LEU A 260 -3.917 -6.564 4.020 1.00 0.00 H new ATOM 0 HB3 LEU A 260 -5.142 -6.510 2.767 1.00 0.00 H new ATOM 0 HG LEU A 260 -2.274 -6.446 1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 260 -2.156 -8.910 1.971 1.00 0.00 H new ATOM 0 HD12 LEU A 260 -2.299 -8.219 3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 260 -3.717 -8.959 2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 260 -3.152 -7.793 0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 260 -4.759 -7.790 0.815 1.00 0.00 H new ATOM 0 HD23 LEU A 260 -4.041 -6.264 0.248 1.00 0.00 H new ATOM 272 N MET A 261 -3.941 -3.175 1.089 1.00 0.00 N ATOM 273 CA MET A 261 -4.310 -2.572 -0.186 1.00 0.00 C ATOM 274 C MET A 261 -4.739 -3.621 -1.207 1.00 0.00 C ATOM 275 O MET A 261 -4.134 -4.681 -1.314 1.00 0.00 O ATOM 276 CB MET A 261 -3.108 -1.790 -0.710 1.00 0.00 C ATOM 277 CG MET A 261 -1.804 -2.555 -0.552 1.00 0.00 C ATOM 278 SD MET A 261 -0.351 -1.496 -0.590 1.00 0.00 S ATOM 279 CE MET A 261 0.896 -2.639 0.008 1.00 0.00 C ATOM 0 H MET A 261 -3.124 -2.743 1.521 1.00 0.00 H new ATOM 0 HA MET A 261 -5.162 -1.911 -0.031 1.00 0.00 H new ATOM 0 HB2 MET A 261 -3.262 -1.555 -1.763 1.00 0.00 H new ATOM 0 HB3 MET A 261 -3.036 -0.841 -0.179 1.00 0.00 H new ATOM 0 HG2 MET A 261 -1.823 -3.101 0.391 1.00 0.00 H new ATOM 0 HG3 MET A 261 -1.726 -3.296 -1.348 1.00 0.00 H new ATOM 0 HE1 MET A 261 1.863 -2.136 0.045 1.00 0.00 H new ATOM 0 HE2 MET A 261 0.627 -2.981 1.007 1.00 0.00 H new ATOM 0 HE3 MET A 261 0.957 -3.495 -0.664 1.00 0.00 H new ATOM 289 N LYS A 262 -5.805 -3.323 -1.928 1.00 0.00 N ATOM 290 CA LYS A 262 -6.292 -4.212 -2.971 1.00 0.00 C ATOM 291 C LYS A 262 -5.931 -3.622 -4.323 1.00 0.00 C ATOM 292 O LYS A 262 -5.545 -4.328 -5.254 1.00 0.00 O ATOM 293 CB LYS A 262 -7.810 -4.406 -2.864 1.00 0.00 C ATOM 294 CG LYS A 262 -8.272 -5.035 -1.552 1.00 0.00 C ATOM 295 CD LYS A 262 -9.066 -4.053 -0.705 1.00 0.00 C ATOM 296 CE LYS A 262 -8.172 -2.995 -0.084 1.00 0.00 C ATOM 297 NZ LYS A 262 -8.947 -1.850 0.456 1.00 0.00 N ATOM 0 H LYS A 262 -6.352 -2.470 -1.811 1.00 0.00 H new ATOM 0 HA LYS A 262 -5.825 -5.190 -2.855 1.00 0.00 H new ATOM 0 HB2 LYS A 262 -8.297 -3.438 -2.981 1.00 0.00 H new ATOM 0 HB3 LYS A 262 -8.144 -5.033 -3.691 1.00 0.00 H new ATOM 0 HG2 LYS A 262 -8.885 -5.911 -1.765 1.00 0.00 H new ATOM 0 HG3 LYS A 262 -7.405 -5.382 -0.990 1.00 0.00 H new ATOM 0 HD2 LYS A 262 -9.825 -3.572 -1.322 1.00 0.00 H new ATOM 0 HD3 LYS A 262 -9.591 -4.594 0.083 1.00 0.00 H new ATOM 0 HE2 LYS A 262 -7.584 -3.443 0.717 1.00 0.00 H new ATOM 0 HE3 LYS A 262 -7.467 -2.633 -0.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 262 -8.408 -1.396 1.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 262 -9.121 -1.160 -0.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 262 -9.856 -2.191 0.829 1.00 0.00 H new ATOM 311 N ASP A 263 -6.074 -2.309 -4.405 1.00 0.00 N ATOM 312 CA ASP A 263 -5.589 -1.532 -5.532 1.00 0.00 C ATOM 313 C ASP A 263 -4.684 -0.446 -4.979 1.00 0.00 C ATOM 314 O ASP A 263 -5.161 0.551 -4.430 1.00 0.00 O ATOM 315 CB ASP A 263 -6.746 -0.899 -6.317 1.00 0.00 C ATOM 316 CG ASP A 263 -7.634 -1.924 -6.994 1.00 0.00 C ATOM 317 OD1 ASP A 263 -8.552 -2.457 -6.332 1.00 0.00 O ATOM 318 OD2 ASP A 263 -7.431 -2.193 -8.195 1.00 0.00 O ATOM 0 H ASP A 263 -6.533 -1.750 -3.686 1.00 0.00 H new ATOM 0 HA ASP A 263 -5.050 -2.182 -6.221 1.00 0.00 H new ATOM 0 HB2 ASP A 263 -7.349 -0.295 -5.640 1.00 0.00 H new ATOM 0 HB3 ASP A 263 -6.340 -0.224 -7.070 1.00 0.00 H new ATOM 323 N PRO A 264 -3.368 -0.632 -5.089 1.00 0.00 N ATOM 324 CA PRO A 264 -2.402 0.227 -4.438 1.00 0.00 C ATOM 325 C PRO A 264 -1.945 1.375 -5.317 1.00 0.00 C ATOM 326 O PRO A 264 -1.853 1.254 -6.545 1.00 0.00 O ATOM 327 CB PRO A 264 -1.257 -0.734 -4.176 1.00 0.00 C ATOM 328 CG PRO A 264 -1.277 -1.665 -5.342 1.00 0.00 C ATOM 329 CD PRO A 264 -2.700 -1.692 -5.859 1.00 0.00 C ATOM 0 HA PRO A 264 -2.805 0.714 -3.550 1.00 0.00 H new ATOM 0 HB2 PRO A 264 -0.305 -0.208 -4.105 1.00 0.00 H new ATOM 0 HB3 PRO A 264 -1.396 -1.270 -3.237 1.00 0.00 H new ATOM 0 HG2 PRO A 264 -0.591 -1.327 -6.118 1.00 0.00 H new ATOM 0 HG3 PRO A 264 -0.955 -2.663 -5.045 1.00 0.00 H new ATOM 0 HD2 PRO A 264 -2.741 -1.496 -6.930 1.00 0.00 H new ATOM 0 HD3 PRO A 264 -3.168 -2.663 -5.695 1.00 0.00 H new ATOM 337 N VAL A 265 -1.642 2.489 -4.689 1.00 0.00 N ATOM 338 CA VAL A 265 -1.180 3.644 -5.415 1.00 0.00 C ATOM 339 C VAL A 265 0.276 3.936 -5.080 1.00 0.00 C ATOM 340 O VAL A 265 0.674 3.960 -3.911 1.00 0.00 O ATOM 341 CB VAL A 265 -2.058 4.881 -5.131 1.00 0.00 C ATOM 342 CG1 VAL A 265 -1.977 5.288 -3.671 1.00 0.00 C ATOM 343 CG2 VAL A 265 -1.663 6.030 -6.031 1.00 0.00 C ATOM 0 H VAL A 265 -1.708 2.617 -3.679 1.00 0.00 H new ATOM 0 HA VAL A 265 -1.258 3.420 -6.479 1.00 0.00 H new ATOM 0 HB VAL A 265 -3.093 4.616 -5.345 1.00 0.00 H new ATOM 0 HG11 VAL A 265 -2.606 6.162 -3.502 1.00 0.00 H new ATOM 0 HG12 VAL A 265 -2.322 4.466 -3.044 1.00 0.00 H new ATOM 0 HG13 VAL A 265 -0.945 5.529 -3.417 1.00 0.00 H new ATOM 0 HG21 VAL A 265 -2.293 6.893 -5.816 1.00 0.00 H new ATOM 0 HG22 VAL A 265 -0.619 6.289 -5.853 1.00 0.00 H new ATOM 0 HG23 VAL A 265 -1.792 5.737 -7.073 1.00 0.00 H new ATOM 353 N ILE A 266 1.066 4.107 -6.118 1.00 0.00 N ATOM 354 CA ILE A 266 2.446 4.493 -5.981 1.00 0.00 C ATOM 355 C ILE A 266 2.533 6.009 -6.067 1.00 0.00 C ATOM 356 O ILE A 266 1.781 6.646 -6.808 1.00 0.00 O ATOM 357 CB ILE A 266 3.332 3.829 -7.069 1.00 0.00 C ATOM 358 CG1 ILE A 266 4.799 3.785 -6.654 1.00 0.00 C ATOM 359 CG2 ILE A 266 3.209 4.551 -8.391 1.00 0.00 C ATOM 360 CD1 ILE A 266 5.659 3.039 -7.647 1.00 0.00 C ATOM 0 H ILE A 266 0.764 3.981 -7.084 1.00 0.00 H new ATOM 0 HA ILE A 266 2.820 4.152 -5.016 1.00 0.00 H new ATOM 0 HB ILE A 266 2.971 2.807 -7.184 1.00 0.00 H new ATOM 0 HG12 ILE A 266 5.174 4.803 -6.547 1.00 0.00 H new ATOM 0 HG13 ILE A 266 4.883 3.310 -5.677 1.00 0.00 H new ATOM 0 HG21 ILE A 266 3.841 4.062 -9.133 1.00 0.00 H new ATOM 0 HG22 ILE A 266 2.172 4.525 -8.725 1.00 0.00 H new ATOM 0 HG23 ILE A 266 3.525 5.587 -8.271 1.00 0.00 H new ATOM 0 HD11 ILE A 266 6.693 3.038 -7.304 1.00 0.00 H new ATOM 0 HD12 ILE A 266 5.305 2.012 -7.736 1.00 0.00 H new ATOM 0 HD13 ILE A 266 5.600 3.528 -8.619 1.00 0.00 H new ATOM 372 N VAL A 267 3.399 6.589 -5.272 1.00 0.00 N ATOM 373 CA VAL A 267 3.562 8.027 -5.263 1.00 0.00 C ATOM 374 C VAL A 267 5.041 8.353 -5.356 1.00 0.00 C ATOM 375 O VAL A 267 5.887 7.503 -5.040 1.00 0.00 O ATOM 376 CB VAL A 267 2.962 8.660 -3.978 1.00 0.00 C ATOM 377 CG1 VAL A 267 2.931 10.180 -4.065 1.00 0.00 C ATOM 378 CG2 VAL A 267 1.565 8.120 -3.705 1.00 0.00 C ATOM 0 H VAL A 267 4.004 6.089 -4.621 1.00 0.00 H new ATOM 0 HA VAL A 267 3.028 8.444 -6.117 1.00 0.00 H new ATOM 0 HB VAL A 267 3.611 8.382 -3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 267 2.505 10.588 -3.149 1.00 0.00 H new ATOM 0 HG12 VAL A 267 3.945 10.558 -4.193 1.00 0.00 H new ATOM 0 HG13 VAL A 267 2.320 10.483 -4.915 1.00 0.00 H new ATOM 0 HG21 VAL A 267 1.168 8.579 -2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 267 0.913 8.354 -4.547 1.00 0.00 H new ATOM 0 HG23 VAL A 267 1.612 7.039 -3.573 1.00 0.00 H new ATOM 388 N SER A 268 5.354 9.569 -5.776 1.00 0.00 N ATOM 389 CA SER A 268 6.737 9.987 -5.910 1.00 0.00 C ATOM 390 C SER A 268 7.441 9.912 -4.556 1.00 0.00 C ATOM 391 O SER A 268 6.935 10.436 -3.564 1.00 0.00 O ATOM 392 CB SER A 268 6.790 11.403 -6.488 1.00 0.00 C ATOM 393 OG SER A 268 5.689 12.177 -6.035 1.00 0.00 O ATOM 0 H SER A 268 4.669 10.281 -6.029 1.00 0.00 H new ATOM 0 HA SER A 268 7.258 9.317 -6.594 1.00 0.00 H new ATOM 0 HB2 SER A 268 7.723 11.885 -6.196 1.00 0.00 H new ATOM 0 HB3 SER A 268 6.783 11.356 -7.577 1.00 0.00 H new ATOM 0 HG SER A 268 5.960 13.115 -5.954 1.00 0.00 H new ATOM 399 N THR A 269 8.610 9.250 -4.575 1.00 0.00 N ATOM 400 CA THR A 269 9.381 8.826 -3.390 1.00 0.00 C ATOM 401 C THR A 269 9.658 7.337 -3.516 1.00 0.00 C ATOM 402 O THR A 269 10.717 6.837 -3.132 1.00 0.00 O ATOM 403 CB THR A 269 8.656 9.066 -2.039 1.00 0.00 C ATOM 404 OG1 THR A 269 8.653 10.454 -1.721 1.00 0.00 O ATOM 405 CG2 THR A 269 9.299 8.296 -0.895 1.00 0.00 C ATOM 0 H THR A 269 9.063 8.984 -5.449 1.00 0.00 H new ATOM 0 HA THR A 269 10.288 9.430 -3.373 1.00 0.00 H new ATOM 0 HB THR A 269 7.635 8.705 -2.159 1.00 0.00 H new ATOM 0 HG1 THR A 269 8.237 10.956 -2.453 1.00 0.00 H new ATOM 0 HG21 THR A 269 8.756 8.496 0.029 1.00 0.00 H new ATOM 0 HG22 THR A 269 9.266 7.228 -1.111 1.00 0.00 H new ATOM 0 HG23 THR A 269 10.336 8.611 -0.782 1.00 0.00 H new ATOM 413 N GLY A 270 8.688 6.639 -4.082 1.00 0.00 N ATOM 414 CA GLY A 270 8.756 5.196 -4.152 1.00 0.00 C ATOM 415 C GLY A 270 7.839 4.574 -3.128 1.00 0.00 C ATOM 416 O GLY A 270 8.175 3.579 -2.484 1.00 0.00 O ATOM 0 H GLY A 270 7.851 7.048 -4.496 1.00 0.00 H new ATOM 0 HA2 GLY A 270 8.476 4.861 -5.151 1.00 0.00 H new ATOM 0 HA3 GLY A 270 9.780 4.865 -3.980 1.00 0.00 H new ATOM 420 N GLN A 271 6.699 5.209 -2.938 1.00 0.00 N ATOM 421 CA GLN A 271 5.691 4.735 -2.010 1.00 0.00 C ATOM 422 C GLN A 271 4.596 3.964 -2.736 1.00 0.00 C ATOM 423 O GLN A 271 4.215 4.341 -3.826 1.00 0.00 O ATOM 424 CB GLN A 271 5.064 5.933 -1.309 1.00 0.00 C ATOM 425 CG GLN A 271 3.767 5.594 -0.607 1.00 0.00 C ATOM 426 CD GLN A 271 2.784 6.741 -0.619 1.00 0.00 C ATOM 427 OE1 GLN A 271 1.507 6.419 -0.734 1.00 0.00 O flip ATOM 428 NE2 GLN A 271 3.171 7.901 -0.563 1.00 0.00 N flip ATOM 0 H GLN A 271 6.445 6.069 -3.423 1.00 0.00 H new ATOM 0 HA GLN A 271 6.168 4.069 -1.291 1.00 0.00 H new ATOM 0 HB2 GLN A 271 5.771 6.333 -0.582 1.00 0.00 H new ATOM 0 HB3 GLN A 271 4.880 6.720 -2.040 1.00 0.00 H new ATOM 0 HG2 GLN A 271 3.314 4.727 -1.087 1.00 0.00 H new ATOM 0 HG3 GLN A 271 3.979 5.313 0.424 1.00 0.00 H new ATOM 0 HE21 GLN A 271 4.167 8.103 -0.474 1.00 0.00 H new ATOM 0 HE22 GLN A 271 2.498 8.666 -0.605 1.00 0.00 H new ATOM 437 N THR A 272 4.095 2.889 -2.140 1.00 0.00 N ATOM 438 CA THR A 272 2.892 2.240 -2.646 1.00 0.00 C ATOM 439 C THR A 272 2.029 1.740 -1.485 1.00 0.00 C ATOM 440 O THR A 272 2.408 0.810 -0.779 1.00 0.00 O ATOM 441 CB THR A 272 3.218 1.077 -3.611 1.00 0.00 C ATOM 442 OG1 THR A 272 4.217 1.492 -4.550 1.00 0.00 O ATOM 443 CG2 THR A 272 1.973 0.662 -4.365 1.00 0.00 C ATOM 0 H THR A 272 4.499 2.451 -1.312 1.00 0.00 H new ATOM 0 HA THR A 272 2.336 2.986 -3.213 1.00 0.00 H new ATOM 0 HB THR A 272 3.587 0.233 -3.029 1.00 0.00 H new ATOM 0 HG1 THR A 272 4.937 0.827 -4.577 1.00 0.00 H new ATOM 0 HG21 THR A 272 2.214 -0.158 -5.042 1.00 0.00 H new ATOM 0 HG22 THR A 272 1.211 0.336 -3.657 1.00 0.00 H new ATOM 0 HG23 THR A 272 1.597 1.508 -4.940 1.00 0.00 H new ATOM 451 N TYR A 273 0.887 2.396 -1.268 1.00 0.00 N ATOM 452 CA TYR A 273 -0.022 2.033 -0.183 1.00 0.00 C ATOM 453 C TYR A 273 -1.458 1.951 -0.676 1.00 0.00 C ATOM 454 O TYR A 273 -1.745 2.227 -1.843 1.00 0.00 O ATOM 455 CB TYR A 273 0.029 3.066 0.945 1.00 0.00 C ATOM 456 CG TYR A 273 1.318 3.089 1.724 1.00 0.00 C ATOM 457 CD1 TYR A 273 1.754 1.966 2.409 1.00 0.00 C ATOM 458 CD2 TYR A 273 2.088 4.239 1.795 1.00 0.00 C ATOM 459 CE1 TYR A 273 2.921 1.989 3.141 1.00 0.00 C ATOM 460 CE2 TYR A 273 3.259 4.268 2.520 1.00 0.00 C ATOM 461 CZ TYR A 273 3.670 3.140 3.193 1.00 0.00 C ATOM 462 OH TYR A 273 4.832 3.164 3.925 1.00 0.00 O ATOM 0 H TYR A 273 0.570 3.184 -1.833 1.00 0.00 H new ATOM 0 HA TYR A 273 0.302 1.060 0.186 1.00 0.00 H new ATOM 0 HB2 TYR A 273 -0.140 4.055 0.520 1.00 0.00 H new ATOM 0 HB3 TYR A 273 -0.792 2.871 1.635 1.00 0.00 H new ATOM 0 HD1 TYR A 273 1.170 1.059 2.368 1.00 0.00 H new ATOM 0 HD2 TYR A 273 1.765 5.128 1.273 1.00 0.00 H new ATOM 0 HE1 TYR A 273 3.246 1.106 3.672 1.00 0.00 H new ATOM 0 HE2 TYR A 273 3.851 5.170 2.560 1.00 0.00 H new ATOM 0 HH TYR A 273 5.230 2.268 3.937 1.00 0.00 H new ATOM 472 N GLU A 274 -2.353 1.583 0.234 1.00 0.00 N ATOM 473 CA GLU A 274 -3.785 1.631 -0.015 1.00 0.00 C ATOM 474 C GLU A 274 -4.233 3.082 -0.154 1.00 0.00 C ATOM 475 O GLU A 274 -3.892 3.932 0.669 1.00 0.00 O ATOM 476 CB GLU A 274 -4.531 0.930 1.130 1.00 0.00 C ATOM 477 CG GLU A 274 -6.035 1.176 1.171 1.00 0.00 C ATOM 478 CD GLU A 274 -6.739 0.840 -0.126 1.00 0.00 C ATOM 479 OE1 GLU A 274 -6.697 -0.335 -0.546 1.00 0.00 O ATOM 480 OE2 GLU A 274 -7.356 1.754 -0.713 1.00 0.00 O ATOM 0 H GLU A 274 -2.105 1.244 1.163 1.00 0.00 H new ATOM 0 HA GLU A 274 -4.016 1.111 -0.945 1.00 0.00 H new ATOM 0 HB2 GLU A 274 -4.356 -0.143 1.053 1.00 0.00 H new ATOM 0 HB3 GLU A 274 -4.100 1.256 2.077 1.00 0.00 H new ATOM 0 HG2 GLU A 274 -6.470 0.583 1.975 1.00 0.00 H new ATOM 0 HG3 GLU A 274 -6.217 2.223 1.413 1.00 0.00 H new ATOM 487 N ARG A 275 -4.991 3.356 -1.203 1.00 0.00 N ATOM 488 CA ARG A 275 -5.462 4.703 -1.494 1.00 0.00 C ATOM 489 C ARG A 275 -6.322 5.252 -0.375 1.00 0.00 C ATOM 490 O ARG A 275 -6.225 6.428 -0.031 1.00 0.00 O ATOM 491 CB ARG A 275 -6.263 4.695 -2.787 1.00 0.00 C ATOM 492 CG ARG A 275 -5.395 4.669 -4.023 1.00 0.00 C ATOM 493 CD ARG A 275 -6.161 4.175 -5.238 1.00 0.00 C ATOM 494 NE ARG A 275 -7.394 4.926 -5.460 1.00 0.00 N ATOM 495 CZ ARG A 275 -8.590 4.350 -5.608 1.00 0.00 C ATOM 496 NH1 ARG A 275 -8.706 3.030 -5.513 1.00 0.00 N ATOM 497 NH2 ARG A 275 -9.667 5.095 -5.837 1.00 0.00 N ATOM 0 H ARG A 275 -5.297 2.654 -1.876 1.00 0.00 H new ATOM 0 HA ARG A 275 -4.588 5.346 -1.595 1.00 0.00 H new ATOM 0 HB2 ARG A 275 -6.921 3.826 -2.794 1.00 0.00 H new ATOM 0 HB3 ARG A 275 -6.901 5.578 -2.817 1.00 0.00 H new ATOM 0 HG2 ARG A 275 -5.010 5.670 -4.218 1.00 0.00 H new ATOM 0 HG3 ARG A 275 -4.534 4.024 -3.849 1.00 0.00 H new ATOM 0 HD2 ARG A 275 -5.527 4.253 -6.121 1.00 0.00 H new ATOM 0 HD3 ARG A 275 -6.400 3.119 -5.110 1.00 0.00 H new ATOM 0 HE ARG A 275 -7.339 5.944 -5.504 1.00 0.00 H new ATOM 0 HH11 ARG A 275 -7.882 2.458 -5.327 1.00 0.00 H new ATOM 0 HH12 ARG A 275 -9.619 2.589 -5.626 1.00 0.00 H new ATOM 0 HH21 ARG A 275 -9.581 6.109 -5.900 1.00 0.00 H new ATOM 0 HH22 ARG A 275 -10.579 4.652 -5.950 1.00 0.00 H new ATOM 511 N SER A 276 -7.141 4.397 0.205 1.00 0.00 N ATOM 512 CA SER A 276 -8.054 4.808 1.250 1.00 0.00 C ATOM 513 C SER A 276 -7.271 5.216 2.498 1.00 0.00 C ATOM 514 O SER A 276 -7.788 5.894 3.384 1.00 0.00 O ATOM 515 CB SER A 276 -9.021 3.666 1.566 1.00 0.00 C ATOM 516 OG SER A 276 -9.502 3.067 0.369 1.00 0.00 O ATOM 0 H SER A 276 -7.192 3.406 -0.033 1.00 0.00 H new ATOM 0 HA SER A 276 -8.630 5.669 0.911 1.00 0.00 H new ATOM 0 HB2 SER A 276 -8.518 2.916 2.177 1.00 0.00 H new ATOM 0 HB3 SER A 276 -9.859 4.044 2.151 1.00 0.00 H new ATOM 0 HG SER A 276 -8.825 2.453 0.016 1.00 0.00 H new ATOM 522 N SER A 277 -6.012 4.798 2.543 1.00 0.00 N ATOM 523 CA SER A 277 -5.132 5.106 3.650 1.00 0.00 C ATOM 524 C SER A 277 -4.281 6.336 3.332 1.00 0.00 C ATOM 525 O SER A 277 -4.197 7.269 4.128 1.00 0.00 O ATOM 526 CB SER A 277 -4.237 3.902 3.927 1.00 0.00 C ATOM 527 OG SER A 277 -5.002 2.710 3.995 1.00 0.00 O ATOM 0 H SER A 277 -5.578 4.236 1.811 1.00 0.00 H new ATOM 0 HA SER A 277 -5.730 5.327 4.534 1.00 0.00 H new ATOM 0 HB2 SER A 277 -3.486 3.813 3.142 1.00 0.00 H new ATOM 0 HB3 SER A 277 -3.701 4.050 4.865 1.00 0.00 H new ATOM 0 HG SER A 277 -4.628 2.120 4.682 1.00 0.00 H new ATOM 533 N ILE A 278 -3.673 6.338 2.147 1.00 0.00 N ATOM 534 CA ILE A 278 -2.749 7.403 1.760 1.00 0.00 C ATOM 535 C ILE A 278 -3.470 8.662 1.287 1.00 0.00 C ATOM 536 O ILE A 278 -3.167 9.764 1.749 1.00 0.00 O ATOM 537 CB ILE A 278 -1.762 6.940 0.655 1.00 0.00 C ATOM 538 CG1 ILE A 278 -0.859 8.091 0.227 1.00 0.00 C ATOM 539 CG2 ILE A 278 -2.497 6.400 -0.559 1.00 0.00 C ATOM 540 CD1 ILE A 278 0.048 8.582 1.317 1.00 0.00 C ATOM 0 H ILE A 278 -3.803 5.615 1.439 1.00 0.00 H new ATOM 0 HA ILE A 278 -2.190 7.644 2.664 1.00 0.00 H new ATOM 0 HB ILE A 278 -1.156 6.139 1.078 1.00 0.00 H new ATOM 0 HG12 ILE A 278 -0.254 7.771 -0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 278 -1.479 8.918 -0.119 1.00 0.00 H new ATOM 0 HG21 ILE A 278 -1.774 6.085 -1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 278 -3.109 5.547 -0.264 1.00 0.00 H new ATOM 0 HG23 ILE A 278 -3.137 7.179 -0.973 1.00 0.00 H new ATOM 0 HD11 ILE A 278 0.660 9.401 0.939 1.00 0.00 H new ATOM 0 HD12 ILE A 278 -0.550 8.934 2.157 1.00 0.00 H new ATOM 0 HD13 ILE A 278 0.694 7.768 1.647 1.00 0.00 H new ATOM 552 N GLN A 279 -4.435 8.503 0.388 1.00 0.00 N ATOM 553 CA GLN A 279 -5.091 9.653 -0.220 1.00 0.00 C ATOM 554 C GLN A 279 -5.844 10.412 0.844 1.00 0.00 C ATOM 555 O GLN A 279 -6.017 11.622 0.765 1.00 0.00 O ATOM 556 CB GLN A 279 -6.057 9.237 -1.321 1.00 0.00 C ATOM 557 CG GLN A 279 -5.404 8.533 -2.499 1.00 0.00 C ATOM 558 CD GLN A 279 -6.290 8.534 -3.737 1.00 0.00 C ATOM 559 OE1 GLN A 279 -6.303 7.574 -4.505 1.00 0.00 O ATOM 560 NE2 GLN A 279 -6.996 9.634 -3.972 1.00 0.00 N ATOM 0 H GLN A 279 -4.777 7.597 0.067 1.00 0.00 H new ATOM 0 HA GLN A 279 -4.323 10.282 -0.669 1.00 0.00 H new ATOM 0 HB2 GLN A 279 -6.813 8.578 -0.894 1.00 0.00 H new ATOM 0 HB3 GLN A 279 -6.576 10.123 -1.686 1.00 0.00 H new ATOM 0 HG2 GLN A 279 -4.458 9.021 -2.732 1.00 0.00 H new ATOM 0 HG3 GLN A 279 -5.172 7.505 -2.222 1.00 0.00 H new ATOM 0 HE21 GLN A 279 -6.962 10.412 -3.313 1.00 0.00 H new ATOM 0 HE22 GLN A 279 -7.572 9.701 -4.811 1.00 0.00 H new ATOM 569 N LYS A 280 -6.267 9.662 1.843 1.00 0.00 N ATOM 570 CA LYS A 280 -6.949 10.193 2.998 1.00 0.00 C ATOM 571 C LYS A 280 -6.163 11.342 3.634 1.00 0.00 C ATOM 572 O LYS A 280 -6.728 12.396 3.937 1.00 0.00 O ATOM 573 CB LYS A 280 -7.149 9.040 3.981 1.00 0.00 C ATOM 574 CG LYS A 280 -7.141 9.444 5.441 1.00 0.00 C ATOM 575 CD LYS A 280 -6.673 8.285 6.301 1.00 0.00 C ATOM 576 CE LYS A 280 -7.687 7.153 6.333 1.00 0.00 C ATOM 577 NZ LYS A 280 -8.971 7.569 6.952 1.00 0.00 N ATOM 0 H LYS A 280 -6.142 8.650 1.871 1.00 0.00 H new ATOM 0 HA LYS A 280 -7.912 10.612 2.707 1.00 0.00 H new ATOM 0 HB2 LYS A 280 -8.098 8.551 3.759 1.00 0.00 H new ATOM 0 HB3 LYS A 280 -6.364 8.301 3.818 1.00 0.00 H new ATOM 0 HG2 LYS A 280 -6.484 10.302 5.585 1.00 0.00 H new ATOM 0 HG3 LYS A 280 -8.141 9.753 5.746 1.00 0.00 H new ATOM 0 HD2 LYS A 280 -5.724 7.910 5.919 1.00 0.00 H new ATOM 0 HD3 LYS A 280 -6.491 8.637 7.316 1.00 0.00 H new ATOM 0 HE2 LYS A 280 -7.871 6.804 5.317 1.00 0.00 H new ATOM 0 HE3 LYS A 280 -7.273 6.312 6.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 -9.526 6.725 7.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 -8.779 8.123 7.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 -9.509 8.151 6.278 1.00 0.00 H new ATOM 591 N TRP A 281 -4.861 11.155 3.823 1.00 0.00 N ATOM 592 CA TRP A 281 -4.063 12.179 4.471 1.00 0.00 C ATOM 593 C TRP A 281 -3.315 13.044 3.447 1.00 0.00 C ATOM 594 O TRP A 281 -2.995 14.197 3.727 1.00 0.00 O ATOM 595 CB TRP A 281 -3.129 11.560 5.534 1.00 0.00 C ATOM 596 CG TRP A 281 -1.719 11.268 5.107 1.00 0.00 C ATOM 597 CD1 TRP A 281 -0.735 12.173 4.844 1.00 0.00 C ATOM 598 CD2 TRP A 281 -1.122 9.978 4.968 1.00 0.00 C ATOM 599 NE1 TRP A 281 0.427 11.524 4.509 1.00 0.00 N ATOM 600 CE2 TRP A 281 0.217 10.177 4.584 1.00 0.00 C ATOM 601 CE3 TRP A 281 -1.593 8.671 5.117 1.00 0.00 C ATOM 602 CZ2 TRP A 281 1.089 9.122 4.353 1.00 0.00 C ATOM 603 CZ3 TRP A 281 -0.725 7.624 4.887 1.00 0.00 C ATOM 604 CH2 TRP A 281 0.602 7.855 4.509 1.00 0.00 C ATOM 0 H TRP A 281 -4.348 10.320 3.542 1.00 0.00 H new ATOM 0 HA TRP A 281 -4.736 12.854 5.000 1.00 0.00 H new ATOM 0 HB2 TRP A 281 -3.092 12.235 6.389 1.00 0.00 H new ATOM 0 HB3 TRP A 281 -3.579 10.630 5.881 1.00 0.00 H new ATOM 0 HD1 TRP A 281 -0.852 13.246 4.892 1.00 0.00 H new ATOM 0 HE1 TRP A 281 1.304 11.974 4.247 1.00 0.00 H new ATOM 0 HE3 TRP A 281 -2.617 8.484 5.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 281 2.114 9.296 4.061 1.00 0.00 H new ATOM 0 HZ3 TRP A 281 -1.076 6.609 5.001 1.00 0.00 H new ATOM 0 HH2 TRP A 281 1.256 7.013 4.337 1.00 0.00 H new ATOM 615 N LEU A 282 -3.044 12.502 2.259 1.00 0.00 N ATOM 616 CA LEU A 282 -2.438 13.301 1.194 1.00 0.00 C ATOM 617 C LEU A 282 -3.396 14.377 0.703 1.00 0.00 C ATOM 618 O LEU A 282 -2.992 15.516 0.475 1.00 0.00 O ATOM 619 CB LEU A 282 -1.993 12.437 0.015 1.00 0.00 C ATOM 620 CG LEU A 282 -0.683 11.676 0.216 1.00 0.00 C ATOM 621 CD1 LEU A 282 -0.179 11.151 -1.118 1.00 0.00 C ATOM 622 CD2 LEU A 282 0.366 12.568 0.870 1.00 0.00 C ATOM 0 H LEU A 282 -3.231 11.530 2.012 1.00 0.00 H new ATOM 0 HA LEU A 282 -1.556 13.776 1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 282 -2.782 11.717 -0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 282 -1.892 13.075 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 282 -0.869 10.832 0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 282 0.755 10.610 -0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 282 -0.922 10.480 -1.549 1.00 0.00 H new ATOM 0 HD13 LEU A 282 -0.008 11.987 -1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 282 1.290 12.005 1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 282 0.556 13.433 0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 282 0.003 12.905 1.841 1.00 0.00 H new ATOM 634 N ASP A 283 -4.670 14.020 0.562 1.00 0.00 N ATOM 635 CA ASP A 283 -5.677 14.976 0.100 1.00 0.00 C ATOM 636 C ASP A 283 -5.829 16.107 1.114 1.00 0.00 C ATOM 637 O ASP A 283 -6.238 17.219 0.775 1.00 0.00 O ATOM 638 CB ASP A 283 -7.029 14.296 -0.124 1.00 0.00 C ATOM 639 CG ASP A 283 -8.039 15.226 -0.772 1.00 0.00 C ATOM 640 OD1 ASP A 283 -7.703 15.848 -1.803 1.00 0.00 O ATOM 641 OD2 ASP A 283 -9.173 15.343 -0.254 1.00 0.00 O ATOM 0 H ASP A 283 -5.029 13.086 0.758 1.00 0.00 H new ATOM 0 HA ASP A 283 -5.340 15.384 -0.853 1.00 0.00 H new ATOM 0 HB2 ASP A 283 -6.892 13.417 -0.753 1.00 0.00 H new ATOM 0 HB3 ASP A 283 -7.420 13.946 0.831 1.00 0.00 H new ATOM 646 N ALA A 284 -5.478 15.806 2.365 1.00 0.00 N ATOM 647 CA ALA A 284 -5.500 16.793 3.441 1.00 0.00 C ATOM 648 C ALA A 284 -4.475 17.904 3.206 1.00 0.00 C ATOM 649 O ALA A 284 -4.566 18.984 3.791 1.00 0.00 O ATOM 650 CB ALA A 284 -5.248 16.114 4.781 1.00 0.00 C ATOM 0 H ALA A 284 -5.173 14.878 2.658 1.00 0.00 H new ATOM 0 HA ALA A 284 -6.488 17.252 3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 284 -5.267 16.860 5.576 1.00 0.00 H new ATOM 0 HB2 ALA A 284 -6.023 15.370 4.963 1.00 0.00 H new ATOM 0 HB3 ALA A 284 -4.273 15.626 4.764 1.00 0.00 H new ATOM 656 N GLY A 285 -3.503 17.634 2.342 1.00 0.00 N ATOM 657 CA GLY A 285 -2.500 18.628 2.022 1.00 0.00 C ATOM 658 C GLY A 285 -1.125 18.262 2.541 1.00 0.00 C ATOM 659 O GLY A 285 -0.254 19.122 2.677 1.00 0.00 O ATOM 0 H GLY A 285 -3.393 16.743 1.858 1.00 0.00 H new ATOM 0 HA2 GLY A 285 -2.453 18.755 0.940 1.00 0.00 H new ATOM 0 HA3 GLY A 285 -2.799 19.588 2.443 1.00 0.00 H new ATOM 663 N HIS A 286 -0.922 16.986 2.834 1.00 0.00 N ATOM 664 CA HIS A 286 0.374 16.513 3.310 1.00 0.00 C ATOM 665 C HIS A 286 1.219 16.026 2.142 1.00 0.00 C ATOM 666 O HIS A 286 0.715 15.873 1.030 1.00 0.00 O ATOM 667 CB HIS A 286 0.204 15.391 4.330 1.00 0.00 C ATOM 668 CG HIS A 286 -0.442 15.821 5.614 1.00 0.00 C ATOM 669 ND1 HIS A 286 -1.724 16.186 5.870 1.00 0.00 N flip ATOM 670 CD2 HIS A 286 0.224 15.909 6.817 1.00 0.00 C flip ATOM 671 CE1 HIS A 286 -1.850 16.495 7.222 1.00 0.00 C flip ATOM 672 NE2 HIS A 286 -0.652 16.312 7.746 1.00 0.00 N flip ATOM 0 H HIS A 286 -1.634 16.260 2.752 1.00 0.00 H new ATOM 0 HA HIS A 286 0.881 17.347 3.795 1.00 0.00 H new ATOM 0 HB2 HIS A 286 -0.394 14.597 3.884 1.00 0.00 H new ATOM 0 HB3 HIS A 286 1.183 14.966 4.553 1.00 0.00 H new ATOM 0 HD2 HIS A 286 1.269 15.691 6.982 1.00 0.00 H new ATOM 0 HE1 HIS A 286 -2.743 16.818 7.736 1.00 0.00 H new ATOM 0 HE2 HIS A 286 -0.424 16.458 8.729 1.00 0.00 H new ATOM 680 N LYS A 287 2.498 15.777 2.395 1.00 0.00 N ATOM 681 CA LYS A 287 3.414 15.375 1.336 1.00 0.00 C ATOM 682 C LYS A 287 4.600 14.582 1.888 1.00 0.00 C ATOM 683 O LYS A 287 5.748 14.850 1.545 1.00 0.00 O ATOM 684 CB LYS A 287 3.901 16.617 0.580 1.00 0.00 C ATOM 685 CG LYS A 287 4.433 17.717 1.487 1.00 0.00 C ATOM 686 CD LYS A 287 4.733 18.986 0.710 1.00 0.00 C ATOM 687 CE LYS A 287 5.903 18.801 -0.240 1.00 0.00 C ATOM 688 NZ LYS A 287 6.184 20.038 -1.012 1.00 0.00 N ATOM 0 H LYS A 287 2.923 15.846 3.320 1.00 0.00 H new ATOM 0 HA LYS A 287 2.878 14.720 0.649 1.00 0.00 H new ATOM 0 HB2 LYS A 287 4.685 16.322 -0.117 1.00 0.00 H new ATOM 0 HB3 LYS A 287 3.079 17.015 -0.015 1.00 0.00 H new ATOM 0 HG2 LYS A 287 3.702 17.931 2.267 1.00 0.00 H new ATOM 0 HG3 LYS A 287 5.339 17.372 1.985 1.00 0.00 H new ATOM 0 HD2 LYS A 287 3.850 19.284 0.145 1.00 0.00 H new ATOM 0 HD3 LYS A 287 4.954 19.795 1.406 1.00 0.00 H new ATOM 0 HE2 LYS A 287 6.790 18.516 0.326 1.00 0.00 H new ATOM 0 HE3 LYS A 287 5.687 17.984 -0.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 287 6.989 19.874 -1.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 287 5.346 20.296 -1.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 287 6.414 20.812 -0.356 1.00 0.00 H new ATOM 702 N THR A 288 4.322 13.591 2.727 1.00 0.00 N ATOM 703 CA THR A 288 5.376 12.756 3.292 1.00 0.00 C ATOM 704 C THR A 288 4.928 11.302 3.437 1.00 0.00 C ATOM 705 O THR A 288 3.753 11.030 3.686 1.00 0.00 O ATOM 706 CB THR A 288 5.827 13.274 4.668 1.00 0.00 C ATOM 707 OG1 THR A 288 4.695 13.715 5.424 1.00 0.00 O ATOM 708 CG2 THR A 288 6.838 14.404 4.533 1.00 0.00 C ATOM 0 H THR A 288 3.379 13.346 3.030 1.00 0.00 H new ATOM 0 HA THR A 288 6.212 12.805 2.595 1.00 0.00 H new ATOM 0 HB THR A 288 6.312 12.451 5.193 1.00 0.00 H new ATOM 0 HG1 THR A 288 4.993 14.041 6.299 1.00 0.00 H new ATOM 0 HG21 THR A 288 7.135 14.746 5.524 1.00 0.00 H new ATOM 0 HG22 THR A 288 7.715 14.045 3.995 1.00 0.00 H new ATOM 0 HG23 THR A 288 6.388 15.231 3.983 1.00 0.00 H new ATOM 716 N CYS A 289 5.867 10.373 3.261 1.00 0.00 N ATOM 717 CA CYS A 289 5.597 8.954 3.458 1.00 0.00 C ATOM 718 C CYS A 289 5.921 8.526 4.888 1.00 0.00 C ATOM 719 O CYS A 289 6.825 9.081 5.516 1.00 0.00 O ATOM 720 CB CYS A 289 6.428 8.141 2.473 1.00 0.00 C ATOM 721 SG CYS A 289 8.036 8.883 2.137 1.00 0.00 S ATOM 0 H CYS A 289 6.825 10.582 2.981 1.00 0.00 H new ATOM 0 HA CYS A 289 4.536 8.774 3.284 1.00 0.00 H new ATOM 0 HB2 CYS A 289 6.572 7.136 2.869 1.00 0.00 H new ATOM 0 HB3 CYS A 289 5.877 8.039 1.538 1.00 0.00 H new ATOM 0 HG CYS A 289 8.930 8.355 2.920 1.00 0.00 H new ATOM 727 N PRO A 290 5.196 7.525 5.414 1.00 0.00 N ATOM 728 CA PRO A 290 5.406 7.007 6.771 1.00 0.00 C ATOM 729 C PRO A 290 6.683 6.180 6.888 1.00 0.00 C ATOM 730 O PRO A 290 7.146 5.891 7.988 1.00 0.00 O ATOM 731 CB PRO A 290 4.185 6.112 7.025 1.00 0.00 C ATOM 732 CG PRO A 290 3.252 6.357 5.887 1.00 0.00 C ATOM 733 CD PRO A 290 4.097 6.825 4.740 1.00 0.00 C ATOM 0 HA PRO A 290 5.513 7.820 7.489 1.00 0.00 H new ATOM 0 HB2 PRO A 290 4.474 5.062 7.073 1.00 0.00 H new ATOM 0 HB3 PRO A 290 3.713 6.357 7.976 1.00 0.00 H new ATOM 0 HG2 PRO A 290 2.711 5.447 5.625 1.00 0.00 H new ATOM 0 HG3 PRO A 290 2.506 7.107 6.151 1.00 0.00 H new ATOM 0 HD2 PRO A 290 4.457 5.992 4.136 1.00 0.00 H new ATOM 0 HD3 PRO A 290 3.544 7.487 4.073 1.00 0.00 H new ATOM 741 N LYS A 291 7.246 5.809 5.742 1.00 0.00 N ATOM 742 CA LYS A 291 8.411 4.930 5.700 1.00 0.00 C ATOM 743 C LYS A 291 9.607 5.552 6.411 1.00 0.00 C ATOM 744 O LYS A 291 10.053 5.062 7.448 1.00 0.00 O ATOM 745 CB LYS A 291 8.793 4.630 4.254 1.00 0.00 C ATOM 746 CG LYS A 291 7.692 3.959 3.448 1.00 0.00 C ATOM 747 CD LYS A 291 8.161 3.607 2.047 1.00 0.00 C ATOM 748 CE LYS A 291 8.532 4.852 1.255 1.00 0.00 C ATOM 749 NZ LYS A 291 9.515 4.552 0.177 1.00 0.00 N ATOM 0 H LYS A 291 6.912 6.105 4.825 1.00 0.00 H new ATOM 0 HA LYS A 291 8.142 4.007 6.214 1.00 0.00 H new ATOM 0 HB2 LYS A 291 9.072 5.562 3.762 1.00 0.00 H new ATOM 0 HB3 LYS A 291 9.675 3.990 4.248 1.00 0.00 H new ATOM 0 HG2 LYS A 291 7.364 3.055 3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 291 6.829 4.622 3.388 1.00 0.00 H new ATOM 0 HD2 LYS A 291 9.023 2.942 2.107 1.00 0.00 H new ATOM 0 HD3 LYS A 291 7.374 3.063 1.525 1.00 0.00 H new ATOM 0 HE2 LYS A 291 7.633 5.285 0.816 1.00 0.00 H new ATOM 0 HE3 LYS A 291 8.949 5.600 1.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 291 10.226 5.310 0.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 291 9.986 3.647 0.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 291 9.021 4.489 -0.736 1.00 0.00 H new ATOM 763 N SER A 292 10.134 6.622 5.840 1.00 0.00 N ATOM 764 CA SER A 292 11.268 7.314 6.423 1.00 0.00 C ATOM 765 C SER A 292 11.129 8.821 6.224 1.00 0.00 C ATOM 766 O SER A 292 12.107 9.564 6.336 1.00 0.00 O ATOM 767 CB SER A 292 12.565 6.804 5.792 1.00 0.00 C ATOM 768 OG SER A 292 12.661 5.392 5.913 1.00 0.00 O ATOM 0 H SER A 292 9.792 7.031 4.970 1.00 0.00 H new ATOM 0 HA SER A 292 11.296 7.113 7.494 1.00 0.00 H new ATOM 0 HB2 SER A 292 12.599 7.087 4.740 1.00 0.00 H new ATOM 0 HB3 SER A 292 13.421 7.274 6.277 1.00 0.00 H new ATOM 0 HG SER A 292 13.496 5.085 5.502 1.00 0.00 H new ATOM 774 N GLN A 293 9.898 9.257 5.937 1.00 0.00 N ATOM 775 CA GLN A 293 9.590 10.674 5.755 1.00 0.00 C ATOM 776 C GLN A 293 10.418 11.274 4.621 1.00 0.00 C ATOM 777 O GLN A 293 10.861 12.418 4.697 1.00 0.00 O ATOM 778 CB GLN A 293 9.830 11.432 7.062 1.00 0.00 C ATOM 779 CG GLN A 293 8.928 10.970 8.192 1.00 0.00 C ATOM 780 CD GLN A 293 7.661 11.794 8.328 1.00 0.00 C ATOM 781 OE1 GLN A 293 7.161 12.307 7.220 1.00 0.00 O flip ATOM 782 NE2 GLN A 293 7.133 11.965 9.423 1.00 0.00 N flip ATOM 0 H GLN A 293 9.094 8.640 5.825 1.00 0.00 H new ATOM 0 HA GLN A 293 8.539 10.768 5.482 1.00 0.00 H new ATOM 0 HB2 GLN A 293 10.871 11.307 7.362 1.00 0.00 H new ATOM 0 HB3 GLN A 293 9.673 12.497 6.892 1.00 0.00 H new ATOM 0 HG2 GLN A 293 8.658 9.927 8.028 1.00 0.00 H new ATOM 0 HG3 GLN A 293 9.482 11.012 9.130 1.00 0.00 H new ATOM 0 HE21 GLN A 293 7.548 11.553 10.259 1.00 0.00 H new ATOM 0 HE22 GLN A 293 6.280 12.519 9.497 1.00 0.00 H new ATOM 791 N GLU A 294 10.583 10.499 3.551 1.00 0.00 N ATOM 792 CA GLU A 294 11.381 10.918 2.398 1.00 0.00 C ATOM 793 C GLU A 294 10.772 12.126 1.686 1.00 0.00 C ATOM 794 O GLU A 294 11.398 12.701 0.797 1.00 0.00 O ATOM 795 CB GLU A 294 11.549 9.759 1.407 1.00 0.00 C ATOM 796 CG GLU A 294 12.138 8.493 2.021 1.00 0.00 C ATOM 797 CD GLU A 294 11.079 7.488 2.434 1.00 0.00 C ATOM 798 OE1 GLU A 294 10.306 7.775 3.376 1.00 0.00 O ATOM 799 OE2 GLU A 294 11.013 6.404 1.820 1.00 0.00 O ATOM 0 H GLU A 294 10.172 9.570 3.458 1.00 0.00 H new ATOM 0 HA GLU A 294 12.359 11.213 2.778 1.00 0.00 H new ATOM 0 HB2 GLU A 294 10.577 9.522 0.974 1.00 0.00 H new ATOM 0 HB3 GLU A 294 12.191 10.085 0.589 1.00 0.00 H new ATOM 0 HG2 GLU A 294 12.813 8.027 1.303 1.00 0.00 H new ATOM 0 HG3 GLU A 294 12.736 8.762 2.892 1.00 0.00 H new ATOM 806 N THR A 295 9.562 12.504 2.098 1.00 0.00 N ATOM 807 CA THR A 295 8.847 13.641 1.523 1.00 0.00 C ATOM 808 C THR A 295 8.430 13.350 0.089 1.00 0.00 C ATOM 809 O THR A 295 9.270 13.232 -0.804 1.00 0.00 O ATOM 810 CB THR A 295 9.689 14.931 1.553 1.00 0.00 C ATOM 811 OG1 THR A 295 10.305 15.077 2.839 1.00 0.00 O ATOM 812 CG2 THR A 295 8.824 16.151 1.269 1.00 0.00 C ATOM 0 H THR A 295 9.050 12.029 2.841 1.00 0.00 H new ATOM 0 HA THR A 295 7.961 13.795 2.139 1.00 0.00 H new ATOM 0 HB THR A 295 10.455 14.857 0.781 1.00 0.00 H new ATOM 0 HG1 THR A 295 10.841 15.897 2.854 1.00 0.00 H new ATOM 0 HG21 THR A 295 9.441 17.049 1.296 1.00 0.00 H new ATOM 0 HG22 THR A 295 8.369 16.053 0.283 1.00 0.00 H new ATOM 0 HG23 THR A 295 8.042 16.226 2.024 1.00 0.00 H new ATOM 820 N LEU A 296 7.135 13.245 -0.132 1.00 0.00 N ATOM 821 CA LEU A 296 6.632 12.935 -1.452 1.00 0.00 C ATOM 822 C LEU A 296 6.623 14.201 -2.293 1.00 0.00 C ATOM 823 O LEU A 296 5.608 14.893 -2.381 1.00 0.00 O ATOM 824 CB LEU A 296 5.228 12.332 -1.388 1.00 0.00 C ATOM 825 CG LEU A 296 4.966 11.437 -0.180 1.00 0.00 C ATOM 826 CD1 LEU A 296 3.517 10.982 -0.158 1.00 0.00 C ATOM 827 CD2 LEU A 296 5.906 10.244 -0.189 1.00 0.00 C ATOM 0 H LEU A 296 6.417 13.369 0.582 1.00 0.00 H new ATOM 0 HA LEU A 296 7.287 12.193 -1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 296 4.500 13.143 -1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 296 5.056 11.753 -2.295 1.00 0.00 H new ATOM 0 HG LEU A 296 5.155 12.014 0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 296 3.349 10.345 0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 296 2.863 11.852 -0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 296 3.298 10.422 -1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 296 5.706 9.616 0.679 1.00 0.00 H new ATOM 0 HD22 LEU A 296 5.750 9.665 -1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 296 6.938 10.594 -0.154 1.00 0.00 H new ATOM 839 N LEU A 297 7.784 14.532 -2.844 1.00 0.00 N ATOM 840 CA LEU A 297 7.936 15.721 -3.669 1.00 0.00 C ATOM 841 C LEU A 297 6.964 15.671 -4.838 1.00 0.00 C ATOM 842 O LEU A 297 6.935 14.678 -5.569 1.00 0.00 O ATOM 843 CB LEU A 297 9.379 15.831 -4.165 1.00 0.00 C ATOM 844 CG LEU A 297 10.439 15.899 -3.066 1.00 0.00 C ATOM 845 CD1 LEU A 297 11.827 16.013 -3.674 1.00 0.00 C ATOM 846 CD2 LEU A 297 10.170 17.067 -2.132 1.00 0.00 C ATOM 0 H LEU A 297 8.640 13.988 -2.732 1.00 0.00 H new ATOM 0 HA LEU A 297 7.709 16.604 -3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 297 9.594 14.974 -4.803 1.00 0.00 H new ATOM 0 HB3 LEU A 297 9.466 16.721 -4.788 1.00 0.00 H new ATOM 0 HG LEU A 297 10.390 14.978 -2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 297 12.570 16.060 -2.878 1.00 0.00 H new ATOM 0 HD12 LEU A 297 12.022 15.143 -4.301 1.00 0.00 H new ATOM 0 HD13 LEU A 297 11.886 16.917 -4.280 1.00 0.00 H new ATOM 0 HD21 LEU A 297 10.936 17.097 -1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 297 10.190 17.998 -2.699 1.00 0.00 H new ATOM 0 HD23 LEU A 297 9.191 16.945 -1.669 1.00 0.00 H new ATOM 858 N HIS A 298 6.186 16.753 -4.996 1.00 0.00 N ATOM 859 CA HIS A 298 5.051 16.815 -5.925 1.00 0.00 C ATOM 860 C HIS A 298 4.283 15.491 -5.944 1.00 0.00 C ATOM 861 O HIS A 298 4.523 14.617 -6.778 1.00 0.00 O ATOM 862 CB HIS A 298 5.462 17.280 -7.346 1.00 0.00 C ATOM 863 CG HIS A 298 6.534 16.476 -8.029 1.00 0.00 C ATOM 864 ND1 HIS A 298 6.284 15.545 -9.013 1.00 0.00 N ATOM 865 CD2 HIS A 298 7.885 16.508 -7.883 1.00 0.00 C ATOM 866 CE1 HIS A 298 7.457 15.053 -9.426 1.00 0.00 C ATOM 867 NE2 HIS A 298 8.462 15.604 -8.772 1.00 0.00 N ATOM 0 H HIS A 298 6.330 17.618 -4.476 1.00 0.00 H new ATOM 0 HA HIS A 298 4.373 17.582 -5.551 1.00 0.00 H new ATOM 0 HB2 HIS A 298 4.574 17.272 -7.978 1.00 0.00 H new ATOM 0 HB3 HIS A 298 5.799 18.315 -7.283 1.00 0.00 H new ATOM 0 HD2 HIS A 298 8.425 17.134 -7.188 1.00 0.00 H new ATOM 0 HE1 HIS A 298 7.567 14.302 -10.195 1.00 0.00 H new ATOM 0 HE2 HIS A 298 9.456 15.408 -8.893 1.00 0.00 H new ATOM 875 N ALA A 299 3.343 15.360 -5.016 1.00 0.00 N ATOM 876 CA ALA A 299 2.688 14.085 -4.763 1.00 0.00 C ATOM 877 C ALA A 299 1.656 13.764 -5.832 1.00 0.00 C ATOM 878 O ALA A 299 0.536 14.272 -5.818 1.00 0.00 O ATOM 879 CB ALA A 299 2.042 14.087 -3.381 1.00 0.00 C ATOM 0 H ALA A 299 3.017 16.125 -4.425 1.00 0.00 H new ATOM 0 HA ALA A 299 3.450 13.307 -4.797 1.00 0.00 H new ATOM 0 HB1 ALA A 299 1.556 13.127 -3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 299 2.807 14.251 -2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 299 1.301 14.884 -3.327 1.00 0.00 H new ATOM 885 N GLY A 300 2.065 12.932 -6.773 1.00 0.00 N ATOM 886 CA GLY A 300 1.166 12.466 -7.800 1.00 0.00 C ATOM 887 C GLY A 300 0.800 11.017 -7.583 1.00 0.00 C ATOM 888 O GLY A 300 1.677 10.167 -7.423 1.00 0.00 O ATOM 0 H GLY A 300 3.015 12.568 -6.843 1.00 0.00 H new ATOM 0 HA2 GLY A 300 0.263 13.076 -7.802 1.00 0.00 H new ATOM 0 HA3 GLY A 300 1.633 12.584 -8.778 1.00 0.00 H new ATOM 892 N LEU A 301 -0.490 10.736 -7.556 1.00 0.00 N ATOM 893 CA LEU A 301 -0.971 9.389 -7.302 1.00 0.00 C ATOM 894 C LEU A 301 -0.990 8.565 -8.590 1.00 0.00 C ATOM 895 O LEU A 301 -1.713 8.874 -9.537 1.00 0.00 O ATOM 896 CB LEU A 301 -2.367 9.447 -6.674 1.00 0.00 C ATOM 897 CG LEU A 301 -2.428 10.021 -5.251 1.00 0.00 C ATOM 898 CD1 LEU A 301 -3.817 10.557 -4.958 1.00 0.00 C ATOM 899 CD2 LEU A 301 -2.047 8.965 -4.225 1.00 0.00 C ATOM 0 H LEU A 301 -1.227 11.425 -7.707 1.00 0.00 H new ATOM 0 HA LEU A 301 -0.291 8.900 -6.605 1.00 0.00 H new ATOM 0 HB2 LEU A 301 -3.011 10.047 -7.317 1.00 0.00 H new ATOM 0 HB3 LEU A 301 -2.782 8.439 -6.659 1.00 0.00 H new ATOM 0 HG LEU A 301 -1.712 10.840 -5.183 1.00 0.00 H new ATOM 0 HD11 LEU A 301 -3.845 10.961 -3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 301 -4.060 11.346 -5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 301 -4.545 9.750 -5.047 1.00 0.00 H new ATOM 0 HD21 LEU A 301 -2.097 9.395 -3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 301 -2.738 8.125 -4.294 1.00 0.00 H new ATOM 0 HD23 LEU A 301 -1.032 8.618 -4.420 1.00 0.00 H new ATOM 911 N THR A 302 -0.177 7.523 -8.611 1.00 0.00 N ATOM 912 CA THR A 302 -0.047 6.652 -9.764 1.00 0.00 C ATOM 913 C THR A 302 -0.320 5.195 -9.366 1.00 0.00 C ATOM 914 O THR A 302 0.269 4.696 -8.430 1.00 0.00 O ATOM 915 CB THR A 302 1.380 6.789 -10.339 1.00 0.00 C ATOM 916 OG1 THR A 302 1.553 8.087 -10.927 1.00 0.00 O ATOM 917 CG2 THR A 302 1.690 5.711 -11.362 1.00 0.00 C ATOM 0 H THR A 302 0.414 7.257 -7.824 1.00 0.00 H new ATOM 0 HA THR A 302 -0.776 6.941 -10.521 1.00 0.00 H new ATOM 0 HB THR A 302 2.078 6.666 -9.511 1.00 0.00 H new ATOM 0 HG1 THR A 302 2.461 8.165 -11.287 1.00 0.00 H new ATOM 0 HG21 THR A 302 2.704 5.848 -11.739 1.00 0.00 H new ATOM 0 HG22 THR A 302 1.606 4.730 -10.894 1.00 0.00 H new ATOM 0 HG23 THR A 302 0.983 5.780 -12.189 1.00 0.00 H new ATOM 925 N PRO A 303 -1.237 4.497 -10.045 1.00 0.00 N ATOM 926 CA PRO A 303 -1.527 3.082 -9.749 1.00 0.00 C ATOM 927 C PRO A 303 -0.307 2.174 -9.947 1.00 0.00 C ATOM 928 O PRO A 303 0.330 2.195 -11.001 1.00 0.00 O ATOM 929 CB PRO A 303 -2.633 2.726 -10.753 1.00 0.00 C ATOM 930 CG PRO A 303 -3.213 4.036 -11.166 1.00 0.00 C ATOM 931 CD PRO A 303 -2.076 5.014 -11.131 1.00 0.00 C ATOM 0 HA PRO A 303 -1.815 2.938 -8.708 1.00 0.00 H new ATOM 0 HB2 PRO A 303 -2.230 2.185 -11.609 1.00 0.00 H new ATOM 0 HB3 PRO A 303 -3.388 2.085 -10.298 1.00 0.00 H new ATOM 0 HG2 PRO A 303 -3.646 3.975 -12.164 1.00 0.00 H new ATOM 0 HG3 PRO A 303 -4.012 4.341 -10.490 1.00 0.00 H new ATOM 0 HD2 PRO A 303 -1.538 5.043 -12.079 1.00 0.00 H new ATOM 0 HD3 PRO A 303 -2.421 6.028 -10.928 1.00 0.00 H new ATOM 939 N ASN A 304 0.021 1.381 -8.927 1.00 0.00 N ATOM 940 CA ASN A 304 1.149 0.455 -9.015 1.00 0.00 C ATOM 941 C ASN A 304 0.650 -0.952 -9.340 1.00 0.00 C ATOM 942 O ASN A 304 -0.062 -1.565 -8.541 1.00 0.00 O ATOM 943 CB ASN A 304 1.941 0.403 -7.711 1.00 0.00 C ATOM 944 CG ASN A 304 3.317 -0.199 -7.928 1.00 0.00 C ATOM 945 OD1 ASN A 304 3.533 -0.944 -8.883 1.00 0.00 O ATOM 946 ND2 ASN A 304 4.252 0.099 -7.041 1.00 0.00 N ATOM 0 H ASN A 304 -0.475 1.361 -8.036 1.00 0.00 H new ATOM 0 HA ASN A 304 1.803 0.818 -9.807 1.00 0.00 H new ATOM 0 HB2 ASN A 304 2.041 1.409 -7.303 1.00 0.00 H new ATOM 0 HB3 ASN A 304 1.395 -0.187 -6.974 1.00 0.00 H new ATOM 0 HD21 ASN A 304 5.189 -0.293 -7.136 1.00 0.00 H new ATOM 0 HD22 ASN A 304 4.036 0.721 -6.262 1.00 0.00 H new ATOM 953 N TYR A 305 1.037 -1.470 -10.495 1.00 0.00 N ATOM 954 CA TYR A 305 0.550 -2.768 -10.949 1.00 0.00 C ATOM 955 C TYR A 305 1.425 -3.925 -10.462 1.00 0.00 C ATOM 956 O TYR A 305 1.059 -5.087 -10.630 1.00 0.00 O ATOM 957 CB TYR A 305 0.439 -2.788 -12.474 1.00 0.00 C ATOM 958 CG TYR A 305 -0.570 -1.796 -13.000 1.00 0.00 C ATOM 959 CD1 TYR A 305 -1.927 -1.976 -12.760 1.00 0.00 C ATOM 960 CD2 TYR A 305 -0.171 -0.674 -13.716 1.00 0.00 C ATOM 961 CE1 TYR A 305 -2.857 -1.070 -13.222 1.00 0.00 C ATOM 962 CE2 TYR A 305 -1.097 0.238 -14.180 1.00 0.00 C ATOM 963 CZ TYR A 305 -2.439 0.035 -13.930 1.00 0.00 C ATOM 964 OH TYR A 305 -3.366 0.942 -14.387 1.00 0.00 O ATOM 0 H TYR A 305 1.686 -1.014 -11.136 1.00 0.00 H new ATOM 0 HA TYR A 305 -0.439 -2.911 -10.513 1.00 0.00 H new ATOM 0 HB2 TYR A 305 1.415 -2.571 -12.908 1.00 0.00 H new ATOM 0 HB3 TYR A 305 0.161 -3.790 -12.800 1.00 0.00 H new ATOM 0 HD1 TYR A 305 -2.258 -2.840 -12.203 1.00 0.00 H new ATOM 0 HD2 TYR A 305 0.879 -0.513 -13.912 1.00 0.00 H new ATOM 0 HE1 TYR A 305 -3.908 -1.226 -13.030 1.00 0.00 H new ATOM 0 HE2 TYR A 305 -0.773 1.106 -14.736 1.00 0.00 H new ATOM 0 HH TYR A 305 -2.908 1.664 -14.866 1.00 0.00 H new ATOM 974 N VAL A 306 2.570 -3.621 -9.849 1.00 0.00 N ATOM 975 CA VAL A 306 3.448 -4.678 -9.345 1.00 0.00 C ATOM 976 C VAL A 306 2.834 -5.318 -8.107 1.00 0.00 C ATOM 977 O VAL A 306 2.994 -6.508 -7.853 1.00 0.00 O ATOM 978 CB VAL A 306 4.874 -4.161 -8.996 1.00 0.00 C ATOM 979 CG1 VAL A 306 4.887 -3.332 -7.713 1.00 0.00 C ATOM 980 CG2 VAL A 306 5.844 -5.326 -8.873 1.00 0.00 C ATOM 0 H VAL A 306 2.907 -2.671 -9.691 1.00 0.00 H new ATOM 0 HA VAL A 306 3.548 -5.411 -10.146 1.00 0.00 H new ATOM 0 HB VAL A 306 5.190 -3.511 -9.812 1.00 0.00 H new ATOM 0 HG11 VAL A 306 5.903 -2.993 -7.509 1.00 0.00 H new ATOM 0 HG12 VAL A 306 4.233 -2.468 -7.831 1.00 0.00 H new ATOM 0 HG13 VAL A 306 4.535 -3.943 -6.882 1.00 0.00 H new ATOM 0 HG21 VAL A 306 6.837 -4.948 -8.629 1.00 0.00 H new ATOM 0 HG22 VAL A 306 5.507 -5.998 -8.084 1.00 0.00 H new ATOM 0 HG23 VAL A 306 5.884 -5.867 -9.818 1.00 0.00 H new ATOM 990 N LEU A 307 2.102 -4.510 -7.363 1.00 0.00 N ATOM 991 CA LEU A 307 1.602 -4.914 -6.067 1.00 0.00 C ATOM 992 C LEU A 307 0.184 -5.461 -6.167 1.00 0.00 C ATOM 993 O LEU A 307 -0.139 -6.467 -5.543 1.00 0.00 O ATOM 994 CB LEU A 307 1.656 -3.714 -5.128 1.00 0.00 C ATOM 995 CG LEU A 307 2.155 -4.005 -3.718 1.00 0.00 C ATOM 996 CD1 LEU A 307 3.469 -4.765 -3.760 1.00 0.00 C ATOM 997 CD2 LEU A 307 2.336 -2.706 -2.960 1.00 0.00 C ATOM 0 H LEU A 307 1.840 -3.564 -7.639 1.00 0.00 H new ATOM 0 HA LEU A 307 2.226 -5.717 -5.675 1.00 0.00 H new ATOM 0 HB2 LEU A 307 2.300 -2.955 -5.573 1.00 0.00 H new ATOM 0 HB3 LEU A 307 0.657 -3.284 -5.059 1.00 0.00 H new ATOM 0 HG LEU A 307 1.415 -4.622 -3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 307 3.808 -4.963 -2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 307 3.326 -5.710 -4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 307 4.217 -4.169 -4.282 1.00 0.00 H new ATOM 0 HD21 LEU A 307 2.693 -2.919 -1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 307 3.063 -2.081 -3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 307 1.382 -2.182 -2.904 1.00 0.00 H new ATOM 1009 N LYS A 308 -0.640 -4.803 -6.980 1.00 0.00 N ATOM 1010 CA LYS A 308 -2.046 -5.129 -7.140 1.00 0.00 C ATOM 1011 C LYS A 308 -2.248 -6.617 -7.441 1.00 0.00 C ATOM 1012 O LYS A 308 -3.132 -7.256 -6.879 1.00 0.00 O ATOM 1013 CB LYS A 308 -2.585 -4.257 -8.276 1.00 0.00 C ATOM 1014 CG LYS A 308 -4.089 -4.095 -8.300 1.00 0.00 C ATOM 1015 CD LYS A 308 -4.770 -5.262 -8.975 1.00 0.00 C ATOM 1016 CE LYS A 308 -6.171 -4.886 -9.393 1.00 0.00 C ATOM 1017 NZ LYS A 308 -6.841 -5.970 -10.160 1.00 0.00 N ATOM 0 H LYS A 308 -0.339 -4.015 -7.554 1.00 0.00 H new ATOM 0 HA LYS A 308 -2.587 -4.931 -6.214 1.00 0.00 H new ATOM 0 HB2 LYS A 308 -2.130 -3.269 -8.203 1.00 0.00 H new ATOM 0 HB3 LYS A 308 -2.266 -4.686 -9.226 1.00 0.00 H new ATOM 0 HG2 LYS A 308 -4.460 -3.999 -7.280 1.00 0.00 H new ATOM 0 HG3 LYS A 308 -4.347 -3.173 -8.821 1.00 0.00 H new ATOM 0 HD2 LYS A 308 -4.195 -5.572 -9.847 1.00 0.00 H new ATOM 0 HD3 LYS A 308 -4.803 -6.114 -8.296 1.00 0.00 H new ATOM 0 HE2 LYS A 308 -6.762 -4.652 -8.507 1.00 0.00 H new ATOM 0 HE3 LYS A 308 -6.136 -3.982 -10.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 308 -7.800 -5.666 -10.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 308 -6.293 -6.177 -11.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 308 -6.899 -6.826 -9.572 1.00 0.00 H new ATOM 1031 N SER A 309 -1.406 -7.160 -8.309 1.00 0.00 N ATOM 1032 CA SER A 309 -1.500 -8.562 -8.705 1.00 0.00 C ATOM 1033 C SER A 309 -1.243 -9.506 -7.525 1.00 0.00 C ATOM 1034 O SER A 309 -1.792 -10.607 -7.471 1.00 0.00 O ATOM 1035 CB SER A 309 -0.493 -8.839 -9.819 1.00 0.00 C ATOM 1036 OG SER A 309 -0.581 -7.856 -10.837 1.00 0.00 O ATOM 0 H SER A 309 -0.645 -6.649 -8.756 1.00 0.00 H new ATOM 0 HA SER A 309 -2.514 -8.748 -9.059 1.00 0.00 H new ATOM 0 HB2 SER A 309 0.516 -8.852 -9.407 1.00 0.00 H new ATOM 0 HB3 SER A 309 -0.677 -9.826 -10.244 1.00 0.00 H new ATOM 0 HG SER A 309 -0.031 -7.082 -10.593 1.00 0.00 H new ATOM 1042 N LEU A 310 -0.418 -9.068 -6.581 1.00 0.00 N ATOM 1043 CA LEU A 310 -0.015 -9.917 -5.465 1.00 0.00 C ATOM 1044 C LEU A 310 -0.907 -9.701 -4.246 1.00 0.00 C ATOM 1045 O LEU A 310 -1.426 -10.650 -3.673 1.00 0.00 O ATOM 1046 CB LEU A 310 1.453 -9.667 -5.091 1.00 0.00 C ATOM 1047 CG LEU A 310 2.501 -10.336 -5.995 1.00 0.00 C ATOM 1048 CD1 LEU A 310 2.252 -11.832 -6.083 1.00 0.00 C ATOM 1049 CD2 LEU A 310 2.517 -9.713 -7.383 1.00 0.00 C ATOM 0 H LEU A 310 -0.015 -8.131 -6.566 1.00 0.00 H new ATOM 0 HA LEU A 310 -0.126 -10.952 -5.789 1.00 0.00 H new ATOM 0 HB2 LEU A 310 1.631 -8.592 -5.096 1.00 0.00 H new ATOM 0 HB3 LEU A 310 1.611 -10.011 -4.069 1.00 0.00 H new ATOM 0 HG LEU A 310 3.481 -10.172 -5.547 1.00 0.00 H new ATOM 0 HD11 LEU A 310 3.003 -12.289 -6.727 1.00 0.00 H new ATOM 0 HD12 LEU A 310 2.313 -12.270 -5.087 1.00 0.00 H new ATOM 0 HD13 LEU A 310 1.260 -12.012 -6.498 1.00 0.00 H new ATOM 0 HD21 LEU A 310 3.269 -10.210 -7.996 1.00 0.00 H new ATOM 0 HD22 LEU A 310 1.537 -9.830 -7.846 1.00 0.00 H new ATOM 0 HD23 LEU A 310 2.756 -8.653 -7.303 1.00 0.00 H new ATOM 1061 N ILE A 311 -1.088 -8.453 -3.854 1.00 0.00 N ATOM 1062 CA ILE A 311 -1.874 -8.129 -2.666 1.00 0.00 C ATOM 1063 C ILE A 311 -3.308 -8.632 -2.787 1.00 0.00 C ATOM 1064 O ILE A 311 -3.896 -9.103 -1.812 1.00 0.00 O ATOM 1065 CB ILE A 311 -1.893 -6.609 -2.420 1.00 0.00 C ATOM 1066 CG1 ILE A 311 -2.407 -5.877 -3.663 1.00 0.00 C ATOM 1067 CG2 ILE A 311 -0.509 -6.122 -2.040 1.00 0.00 C ATOM 1068 CD1 ILE A 311 -2.256 -4.377 -3.597 1.00 0.00 C ATOM 0 H ILE A 311 -0.703 -7.642 -4.338 1.00 0.00 H new ATOM 0 HA ILE A 311 -1.397 -8.630 -1.823 1.00 0.00 H new ATOM 0 HB ILE A 311 -2.570 -6.394 -1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 311 -1.872 -6.248 -4.538 1.00 0.00 H new ATOM 0 HG13 ILE A 311 -3.460 -6.120 -3.806 1.00 0.00 H new ATOM 0 HG21 ILE A 311 -0.536 -5.046 -1.869 1.00 0.00 H new ATOM 0 HG22 ILE A 311 -0.183 -6.626 -1.130 1.00 0.00 H new ATOM 0 HG23 ILE A 311 0.189 -6.343 -2.847 1.00 0.00 H new ATOM 0 HD11 ILE A 311 -2.643 -3.932 -4.514 1.00 0.00 H new ATOM 0 HD12 ILE A 311 -2.814 -3.992 -2.743 1.00 0.00 H new ATOM 0 HD13 ILE A 311 -1.202 -4.122 -3.486 1.00 0.00 H new ATOM 1080 N ALA A 312 -3.843 -8.568 -3.997 1.00 0.00 N ATOM 1081 CA ALA A 312 -5.241 -8.880 -4.240 1.00 0.00 C ATOM 1082 C ALA A 312 -5.552 -10.357 -4.001 1.00 0.00 C ATOM 1083 O ALA A 312 -6.708 -10.721 -3.783 1.00 0.00 O ATOM 1084 CB ALA A 312 -5.617 -8.468 -5.653 1.00 0.00 C ATOM 0 H ALA A 312 -3.323 -8.300 -4.833 1.00 0.00 H new ATOM 0 HA ALA A 312 -5.842 -8.315 -3.527 1.00 0.00 H new ATOM 0 HB1 ALA A 312 -6.666 -8.703 -5.833 1.00 0.00 H new ATOM 0 HB2 ALA A 312 -5.459 -7.396 -5.774 1.00 0.00 H new ATOM 0 HB3 ALA A 312 -4.996 -9.009 -6.367 1.00 0.00 H new ATOM 1090 N LEU A 313 -4.529 -11.209 -4.026 1.00 0.00 N ATOM 1091 CA LEU A 313 -4.734 -12.632 -3.776 1.00 0.00 C ATOM 1092 C LEU A 313 -4.714 -12.916 -2.278 1.00 0.00 C ATOM 1093 O LEU A 313 -5.319 -13.884 -1.811 1.00 0.00 O ATOM 1094 CB LEU A 313 -3.695 -13.502 -4.518 1.00 0.00 C ATOM 1095 CG LEU A 313 -2.217 -13.277 -4.160 1.00 0.00 C ATOM 1096 CD1 LEU A 313 -1.826 -14.006 -2.878 1.00 0.00 C ATOM 1097 CD2 LEU A 313 -1.319 -13.705 -5.312 1.00 0.00 C ATOM 0 H LEU A 313 -3.563 -10.943 -4.214 1.00 0.00 H new ATOM 0 HA LEU A 313 -5.715 -12.900 -4.169 1.00 0.00 H new ATOM 0 HB2 LEU A 313 -3.934 -14.549 -4.331 1.00 0.00 H new ATOM 0 HB3 LEU A 313 -3.814 -13.334 -5.588 1.00 0.00 H new ATOM 0 HG LEU A 313 -2.081 -12.210 -3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 313 -0.774 -13.821 -2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 313 -2.437 -13.642 -2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 313 -1.988 -15.077 -3.004 1.00 0.00 H new ATOM 0 HD21 LEU A 313 -0.276 -13.539 -5.042 1.00 0.00 H new ATOM 0 HD22 LEU A 313 -1.475 -14.763 -5.522 1.00 0.00 H new ATOM 0 HD23 LEU A 313 -1.561 -13.120 -6.199 1.00 0.00 H new ATOM 1109 N TRP A 314 -4.043 -12.057 -1.517 1.00 0.00 N ATOM 1110 CA TRP A 314 -3.913 -12.271 -0.085 1.00 0.00 C ATOM 1111 C TRP A 314 -5.213 -11.892 0.613 1.00 0.00 C ATOM 1112 O TRP A 314 -5.743 -12.657 1.422 1.00 0.00 O ATOM 1113 CB TRP A 314 -2.741 -11.472 0.491 1.00 0.00 C ATOM 1114 CG TRP A 314 -2.115 -12.131 1.688 1.00 0.00 C ATOM 1115 CD1 TRP A 314 -0.976 -12.885 1.700 1.00 0.00 C ATOM 1116 CD2 TRP A 314 -2.594 -12.113 3.041 1.00 0.00 C ATOM 1117 NE1 TRP A 314 -0.713 -13.323 2.975 1.00 0.00 N ATOM 1118 CE2 TRP A 314 -1.693 -12.865 3.814 1.00 0.00 C ATOM 1119 CE3 TRP A 314 -3.696 -11.531 3.671 1.00 0.00 C ATOM 1120 CZ2 TRP A 314 -1.863 -13.047 5.187 1.00 0.00 C ATOM 1121 CZ3 TRP A 314 -3.865 -11.713 5.031 1.00 0.00 C ATOM 1122 CH2 TRP A 314 -2.952 -12.466 5.776 1.00 0.00 C ATOM 0 H TRP A 314 -3.586 -11.215 -1.866 1.00 0.00 H new ATOM 0 HA TRP A 314 -3.709 -13.328 0.088 1.00 0.00 H new ATOM 0 HB2 TRP A 314 -1.984 -11.339 -0.282 1.00 0.00 H new ATOM 0 HB3 TRP A 314 -3.089 -10.477 0.771 1.00 0.00 H new ATOM 0 HD1 TRP A 314 -0.370 -13.105 0.833 1.00 0.00 H new ATOM 0 HE1 TRP A 314 0.084 -13.897 3.252 1.00 0.00 H new ATOM 0 HE3 TRP A 314 -4.406 -10.947 3.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 314 -1.159 -13.627 5.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 314 -4.715 -11.267 5.526 1.00 0.00 H new ATOM 0 HH2 TRP A 314 -3.110 -12.591 6.837 1.00 0.00 H new ATOM 1133 N CYS A 315 -5.741 -10.720 0.273 1.00 0.00 N ATOM 1134 CA CYS A 315 -7.018 -10.269 0.822 1.00 0.00 C ATOM 1135 C CYS A 315 -8.181 -11.074 0.227 1.00 0.00 C ATOM 1136 O CYS A 315 -9.325 -10.969 0.672 1.00 0.00 O ATOM 1137 CB CYS A 315 -7.204 -8.775 0.568 1.00 0.00 C ATOM 1138 SG CYS A 315 -6.936 -8.275 -1.148 1.00 0.00 S ATOM 0 H CYS A 315 -5.307 -10.066 -0.378 1.00 0.00 H new ATOM 0 HA CYS A 315 -7.011 -10.437 1.899 1.00 0.00 H new ATOM 0 HB2 CYS A 315 -8.214 -8.491 0.864 1.00 0.00 H new ATOM 0 HB3 CYS A 315 -6.517 -8.221 1.207 1.00 0.00 H new ATOM 0 HG CYS A 315 -5.697 -8.495 -1.476 1.00 0.00 H new ATOM 1144 N GLU A 316 -7.874 -11.878 -0.786 1.00 0.00 N ATOM 1145 CA GLU A 316 -8.847 -12.794 -1.365 1.00 0.00 C ATOM 1146 C GLU A 316 -8.896 -14.075 -0.539 1.00 0.00 C ATOM 1147 O GLU A 316 -9.939 -14.723 -0.421 1.00 0.00 O ATOM 1148 CB GLU A 316 -8.475 -13.109 -2.818 1.00 0.00 C ATOM 1149 CG GLU A 316 -9.490 -13.970 -3.556 1.00 0.00 C ATOM 1150 CD GLU A 316 -10.828 -13.280 -3.737 1.00 0.00 C ATOM 1151 OE1 GLU A 316 -10.854 -12.144 -4.252 1.00 0.00 O ATOM 1152 OE2 GLU A 316 -11.865 -13.871 -3.368 1.00 0.00 O ATOM 0 H GLU A 316 -6.953 -11.913 -1.224 1.00 0.00 H new ATOM 0 HA GLU A 316 -9.832 -12.327 -1.355 1.00 0.00 H new ATOM 0 HB2 GLU A 316 -8.351 -12.171 -3.360 1.00 0.00 H new ATOM 0 HB3 GLU A 316 -7.510 -13.615 -2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 316 -9.090 -14.237 -4.534 1.00 0.00 H new ATOM 0 HG3 GLU A 316 -9.638 -14.900 -3.007 1.00 0.00 H new ATOM 1159 N SER A 317 -7.758 -14.425 0.041 1.00 0.00 N ATOM 1160 CA SER A 317 -7.658 -15.591 0.900 1.00 0.00 C ATOM 1161 C SER A 317 -8.325 -15.314 2.246 1.00 0.00 C ATOM 1162 O SER A 317 -9.145 -16.100 2.723 1.00 0.00 O ATOM 1163 CB SER A 317 -6.191 -15.956 1.106 1.00 0.00 C ATOM 1164 OG SER A 317 -5.554 -16.233 -0.130 1.00 0.00 O ATOM 0 H SER A 317 -6.884 -13.911 -0.070 1.00 0.00 H new ATOM 0 HA SER A 317 -8.170 -16.427 0.424 1.00 0.00 H new ATOM 0 HB2 SER A 317 -5.676 -15.137 1.608 1.00 0.00 H new ATOM 0 HB3 SER A 317 -6.118 -16.826 1.759 1.00 0.00 H new ATOM 0 HG SER A 317 -5.514 -15.415 -0.668 1.00 0.00 H new ATOM 1170 N ASN A 318 -7.973 -14.185 2.842 1.00 0.00 N ATOM 1171 CA ASN A 318 -8.544 -13.774 4.116 1.00 0.00 C ATOM 1172 C ASN A 318 -9.064 -12.348 3.999 1.00 0.00 C ATOM 1173 O ASN A 318 -8.440 -11.522 3.335 1.00 0.00 O ATOM 1174 CB ASN A 318 -7.491 -13.868 5.228 1.00 0.00 C ATOM 1175 CG ASN A 318 -8.048 -13.501 6.590 1.00 0.00 C ATOM 1176 OD1 ASN A 318 -8.012 -12.342 6.998 1.00 0.00 O ATOM 1177 ND2 ASN A 318 -8.561 -14.490 7.304 1.00 0.00 N ATOM 0 H ASN A 318 -7.289 -13.532 2.460 1.00 0.00 H new ATOM 0 HA ASN A 318 -9.370 -14.438 4.371 1.00 0.00 H new ATOM 0 HB2 ASN A 318 -7.094 -14.883 5.263 1.00 0.00 H new ATOM 0 HB3 ASN A 318 -6.657 -13.208 4.991 1.00 0.00 H new ATOM 0 HD21 ASN A 318 -8.946 -14.304 8.230 1.00 0.00 H new ATOM 0 HD22 ASN A 318 -8.571 -15.438 6.928 1.00 0.00 H new ATOM 1184 N GLY A 319 -10.202 -12.066 4.626 1.00 0.00 N ATOM 1185 CA GLY A 319 -10.801 -10.743 4.539 1.00 0.00 C ATOM 1186 C GLY A 319 -10.053 -9.718 5.367 1.00 0.00 C ATOM 1187 O GLY A 319 -10.569 -9.214 6.365 1.00 0.00 O ATOM 0 H GLY A 319 -10.723 -12.732 5.196 1.00 0.00 H new ATOM 0 HA2 GLY A 319 -10.819 -10.422 3.497 1.00 0.00 H new ATOM 0 HA3 GLY A 319 -11.837 -10.793 4.875 1.00 0.00 H new ATOM 1191 N ILE A 320 -8.839 -9.416 4.943 1.00 0.00 N ATOM 1192 CA ILE A 320 -7.979 -8.487 5.650 1.00 0.00 C ATOM 1193 C ILE A 320 -8.314 -7.042 5.282 1.00 0.00 C ATOM 1194 O ILE A 320 -7.711 -6.434 4.403 1.00 0.00 O ATOM 1195 CB ILE A 320 -6.491 -8.800 5.381 1.00 0.00 C ATOM 1196 CG1 ILE A 320 -5.574 -7.789 6.064 1.00 0.00 C ATOM 1197 CG2 ILE A 320 -6.216 -8.830 3.900 1.00 0.00 C ATOM 1198 CD1 ILE A 320 -4.121 -8.184 6.022 1.00 0.00 C ATOM 0 H ILE A 320 -8.422 -9.808 4.099 1.00 0.00 H new ATOM 0 HA ILE A 320 -8.158 -8.608 6.718 1.00 0.00 H new ATOM 0 HB ILE A 320 -6.281 -9.784 5.801 1.00 0.00 H new ATOM 0 HG12 ILE A 320 -5.694 -6.817 5.585 1.00 0.00 H new ATOM 0 HG13 ILE A 320 -5.882 -7.672 7.103 1.00 0.00 H new ATOM 0 HG21 ILE A 320 -5.162 -9.052 3.730 1.00 0.00 H new ATOM 0 HG22 ILE A 320 -6.829 -9.600 3.432 1.00 0.00 H new ATOM 0 HG23 ILE A 320 -6.457 -7.860 3.465 1.00 0.00 H new ATOM 0 HD11 ILE A 320 -3.523 -7.424 6.524 1.00 0.00 H new ATOM 0 HD12 ILE A 320 -3.989 -9.141 6.527 1.00 0.00 H new ATOM 0 HD13 ILE A 320 -3.798 -8.273 4.985 1.00 0.00 H new ATOM 1210 N GLU A 321 -9.327 -6.531 5.945 1.00 0.00 N ATOM 1211 CA GLU A 321 -9.765 -5.157 5.775 1.00 0.00 C ATOM 1212 C GLU A 321 -10.760 -4.810 6.873 1.00 0.00 C ATOM 1213 O GLU A 321 -11.913 -5.295 6.810 1.00 0.00 O ATOM 1214 CB GLU A 321 -10.395 -4.950 4.392 1.00 0.00 C ATOM 1215 CG GLU A 321 -10.763 -3.503 4.098 1.00 0.00 C ATOM 1216 CD GLU A 321 -11.496 -3.337 2.783 1.00 0.00 C ATOM 1217 OE1 GLU A 321 -12.666 -3.755 2.692 1.00 0.00 O ATOM 1218 OE2 GLU A 321 -10.902 -2.791 1.832 1.00 0.00 O ATOM 1219 OXT GLU A 321 -10.370 -4.102 7.821 1.00 0.00 O ATOM 0 H GLU A 321 -9.877 -7.058 6.623 1.00 0.00 H new ATOM 0 HA GLU A 321 -8.901 -4.496 5.847 1.00 0.00 H new ATOM 0 HB2 GLU A 321 -9.700 -5.301 3.630 1.00 0.00 H new ATOM 0 HB3 GLU A 321 -11.291 -5.566 4.315 1.00 0.00 H new ATOM 0 HG2 GLU A 321 -11.386 -3.120 4.906 1.00 0.00 H new ATOM 0 HG3 GLU A 321 -9.856 -2.899 4.081 1.00 0.00 H new