USER MOD reduce.3.24.130724 H: found=0, std=0, add=479, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 478 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 259 THR OG1 : rot 180:sc= 0.00293 USER MOD Set 1.2: A 261 THR OG1 : rot 91:sc= -2.88! USER MOD Set 2.1: A 239 SER OG : rot 180:sc= -0.0342 USER MOD Set 2.2: A 243 GLN : amide:sc= -2.24! C(o=-2!,f=-4.1!) USER MOD Set 2.3: A 246 LYS NZ :NH3+ 153:sc= 0.314 (180deg=0) USER MOD Single : A 220 HIS : no HD1:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 230 MET CE :methyl -166:sc= -3.04! (180deg=-3.75!) USER MOD Single : A 236 THR OG1 : rot 180:sc= 0 USER MOD Single : A 237 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 240 ASN : amide:sc= -4.49! C(o=-4.5!,f=-9.1!) USER MOD Single : A 242 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 251 THR OG1 : rot -4:sc= -1.35 USER MOD Single : A 265 TYR OH : rot 180:sc= 0 USER MOD Single : A 268 SER OG : rot 180:sc= 0 USER MOD Single : A 273 LYS NZ :NH3+ -125:sc= -0.161 (180deg=-1.52!) USER MOD Single : A 274 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00141) USER MOD ----------------------------------------------------------------- ATOM 148 N ALA A 217 12.622 -9.036 -5.855 1.00 0.00 N ATOM 149 CA ALA A 217 11.595 -9.462 -4.912 1.00 0.00 C ATOM 150 C ALA A 217 11.077 -10.854 -5.257 1.00 0.00 C ATOM 151 O ALA A 217 10.485 -11.061 -6.315 1.00 0.00 O ATOM 152 CB ALA A 217 10.450 -8.460 -4.890 1.00 0.00 C ATOM 0 HA ALA A 217 12.043 -9.506 -3.919 1.00 0.00 H new ATOM 0 HB1 ALA A 217 9.691 -8.791 -4.182 1.00 0.00 H new ATOM 0 HB2 ALA A 217 10.827 -7.483 -4.588 1.00 0.00 H new ATOM 0 HB3 ALA A 217 10.011 -8.387 -5.885 1.00 0.00 H new ATOM 158 N ALA A 218 11.303 -11.804 -4.356 1.00 0.00 N ATOM 159 CA ALA A 218 10.857 -13.176 -4.565 1.00 0.00 C ATOM 160 C ALA A 218 9.346 -13.239 -4.760 1.00 0.00 C ATOM 161 O ALA A 218 8.853 -13.943 -5.641 1.00 0.00 O ATOM 162 CB ALA A 218 11.277 -14.051 -3.393 1.00 0.00 C ATOM 0 H ALA A 218 11.792 -11.649 -3.474 1.00 0.00 H new ATOM 0 HA ALA A 218 11.330 -13.551 -5.473 1.00 0.00 H new ATOM 0 HB1 ALA A 218 10.938 -15.073 -3.562 1.00 0.00 H new ATOM 0 HB2 ALA A 218 12.363 -14.040 -3.301 1.00 0.00 H new ATOM 0 HB3 ALA A 218 10.832 -13.668 -2.475 1.00 0.00 H new ATOM 168 N PHE A 219 8.616 -12.499 -3.932 1.00 0.00 N ATOM 169 CA PHE A 219 7.161 -12.472 -4.013 1.00 0.00 C ATOM 170 C PHE A 219 6.670 -11.122 -4.527 1.00 0.00 C ATOM 171 O PHE A 219 7.243 -10.078 -4.212 1.00 0.00 O ATOM 172 CB PHE A 219 6.547 -12.761 -2.641 1.00 0.00 C ATOM 173 CG PHE A 219 6.709 -14.188 -2.201 1.00 0.00 C ATOM 174 CD1 PHE A 219 7.833 -14.586 -1.496 1.00 0.00 C ATOM 175 CD2 PHE A 219 5.737 -15.131 -2.492 1.00 0.00 C ATOM 176 CE1 PHE A 219 7.985 -15.899 -1.091 1.00 0.00 C ATOM 177 CE2 PHE A 219 5.883 -16.445 -2.089 1.00 0.00 C ATOM 178 CZ PHE A 219 7.008 -16.829 -1.387 1.00 0.00 C ATOM 0 H PHE A 219 9.009 -11.910 -3.197 1.00 0.00 H new ATOM 0 HA PHE A 219 6.847 -13.245 -4.715 1.00 0.00 H new ATOM 0 HB2 PHE A 219 7.007 -12.106 -1.901 1.00 0.00 H new ATOM 0 HB3 PHE A 219 5.485 -12.516 -2.668 1.00 0.00 H new ATOM 0 HD1 PHE A 219 8.599 -13.862 -1.260 1.00 0.00 H new ATOM 0 HD2 PHE A 219 4.855 -14.836 -3.040 1.00 0.00 H new ATOM 0 HE1 PHE A 219 8.867 -16.197 -0.544 1.00 0.00 H new ATOM 0 HE2 PHE A 219 5.118 -17.170 -2.323 1.00 0.00 H new ATOM 0 HZ PHE A 219 7.124 -17.855 -1.070 1.00 0.00 H new ATOM 188 N HIS A 220 5.605 -11.150 -5.322 1.00 0.00 N ATOM 189 CA HIS A 220 5.035 -9.929 -5.881 1.00 0.00 C ATOM 190 C HIS A 220 3.512 -9.954 -5.802 1.00 0.00 C ATOM 191 O HIS A 220 2.890 -11.003 -5.964 1.00 0.00 O ATOM 192 CB HIS A 220 5.479 -9.753 -7.334 1.00 0.00 C ATOM 193 CG HIS A 220 5.271 -10.974 -8.176 1.00 0.00 C ATOM 194 ND1 HIS A 220 6.207 -11.980 -8.287 1.00 0.00 N ATOM 195 CD2 HIS A 220 4.224 -11.349 -8.948 1.00 0.00 C ATOM 196 CE1 HIS A 220 5.747 -12.920 -9.093 1.00 0.00 C ATOM 197 NE2 HIS A 220 4.545 -12.562 -9.507 1.00 0.00 N ATOM 0 H HIS A 220 5.119 -12.005 -5.594 1.00 0.00 H new ATOM 0 HA HIS A 220 5.398 -9.086 -5.293 1.00 0.00 H new ATOM 0 HB2 HIS A 220 4.931 -8.920 -7.774 1.00 0.00 H new ATOM 0 HB3 HIS A 220 6.535 -9.485 -7.353 1.00 0.00 H new ATOM 0 HD2 HIS A 220 3.307 -10.797 -9.097 1.00 0.00 H new ATOM 0 HE1 HIS A 220 6.266 -13.827 -9.367 1.00 0.00 H new ATOM 0 HE2 HIS A 220 3.951 -13.099 -10.139 1.00 0.00 H new ATOM 205 N GLU A 221 2.918 -8.791 -5.550 1.00 0.00 N ATOM 206 CA GLU A 221 1.468 -8.681 -5.447 1.00 0.00 C ATOM 207 C GLU A 221 0.907 -7.811 -6.569 1.00 0.00 C ATOM 208 O GLU A 221 1.435 -6.739 -6.858 1.00 0.00 O ATOM 209 CB GLU A 221 1.073 -8.098 -4.089 1.00 0.00 C ATOM 210 CG GLU A 221 1.130 -9.107 -2.954 1.00 0.00 C ATOM 211 CD GLU A 221 -0.177 -9.854 -2.771 1.00 0.00 C ATOM 212 OE1 GLU A 221 -0.774 -10.262 -3.790 1.00 0.00 O ATOM 213 OE2 GLU A 221 -0.604 -10.029 -1.611 1.00 0.00 O ATOM 0 H GLU A 221 3.419 -7.913 -5.414 1.00 0.00 H new ATOM 0 HA GLU A 221 1.046 -9.682 -5.541 1.00 0.00 H new ATOM 0 HB2 GLU A 221 1.734 -7.263 -3.855 1.00 0.00 H new ATOM 0 HB3 GLU A 221 0.062 -7.696 -4.156 1.00 0.00 H new ATOM 0 HG2 GLU A 221 1.929 -9.823 -3.149 1.00 0.00 H new ATOM 0 HG3 GLU A 221 1.383 -8.592 -2.027 1.00 0.00 H new ATOM 220 N GLU A 222 -0.166 -8.284 -7.196 1.00 0.00 N ATOM 221 CA GLU A 222 -0.797 -7.550 -8.286 1.00 0.00 C ATOM 222 C GLU A 222 -2.317 -7.662 -8.210 1.00 0.00 C ATOM 223 O GLU A 222 -2.887 -8.719 -8.482 1.00 0.00 O ATOM 224 CB GLU A 222 -0.303 -8.073 -9.636 1.00 0.00 C ATOM 225 CG GLU A 222 -1.076 -7.523 -10.823 1.00 0.00 C ATOM 226 CD GLU A 222 -2.430 -8.185 -10.994 1.00 0.00 C ATOM 227 OE1 GLU A 222 -2.479 -9.301 -11.551 1.00 0.00 O ATOM 228 OE2 GLU A 222 -3.441 -7.585 -10.571 1.00 0.00 O ATOM 0 H GLU A 222 -0.615 -9.171 -6.968 1.00 0.00 H new ATOM 0 HA GLU A 222 -0.522 -6.500 -8.189 1.00 0.00 H new ATOM 0 HB2 GLU A 222 0.751 -7.819 -9.751 1.00 0.00 H new ATOM 0 HB3 GLU A 222 -0.371 -9.161 -9.641 1.00 0.00 H new ATOM 0 HG2 GLU A 222 -1.214 -6.449 -10.696 1.00 0.00 H new ATOM 0 HG3 GLU A 222 -0.489 -7.664 -11.731 1.00 0.00 H new ATOM 235 N PHE A 223 -2.968 -6.565 -7.837 1.00 0.00 N ATOM 236 CA PHE A 223 -4.421 -6.540 -7.723 1.00 0.00 C ATOM 237 C PHE A 223 -4.987 -5.231 -8.265 1.00 0.00 C ATOM 238 O PHE A 223 -4.261 -4.251 -8.436 1.00 0.00 O ATOM 239 CB PHE A 223 -4.843 -6.726 -6.264 1.00 0.00 C ATOM 240 CG PHE A 223 -4.149 -5.791 -5.316 1.00 0.00 C ATOM 241 CD1 PHE A 223 -2.943 -6.143 -4.733 1.00 0.00 C ATOM 242 CD2 PHE A 223 -4.704 -4.559 -5.007 1.00 0.00 C ATOM 243 CE1 PHE A 223 -2.302 -5.284 -3.860 1.00 0.00 C ATOM 244 CE2 PHE A 223 -4.068 -3.696 -4.135 1.00 0.00 C ATOM 245 CZ PHE A 223 -2.866 -4.059 -3.560 1.00 0.00 C ATOM 0 H PHE A 223 -2.512 -5.682 -7.609 1.00 0.00 H new ATOM 0 HA PHE A 223 -4.821 -7.362 -8.317 1.00 0.00 H new ATOM 0 HB2 PHE A 223 -5.920 -6.579 -6.184 1.00 0.00 H new ATOM 0 HB3 PHE A 223 -4.639 -7.754 -5.963 1.00 0.00 H new ATOM 0 HD1 PHE A 223 -2.498 -7.100 -4.963 1.00 0.00 H new ATOM 0 HD2 PHE A 223 -5.644 -4.270 -5.453 1.00 0.00 H new ATOM 0 HE1 PHE A 223 -1.361 -5.570 -3.413 1.00 0.00 H new ATOM 0 HE2 PHE A 223 -4.511 -2.738 -3.903 1.00 0.00 H new ATOM 0 HZ PHE A 223 -2.368 -3.387 -2.877 1.00 0.00 H new ATOM 255 N VAL A 224 -6.289 -5.221 -8.533 1.00 0.00 N ATOM 256 CA VAL A 224 -6.953 -4.033 -9.054 1.00 0.00 C ATOM 257 C VAL A 224 -7.855 -3.400 -8.000 1.00 0.00 C ATOM 258 O VAL A 224 -8.641 -4.087 -7.347 1.00 0.00 O ATOM 259 CB VAL A 224 -7.793 -4.362 -10.303 1.00 0.00 C ATOM 260 CG1 VAL A 224 -8.454 -3.105 -10.848 1.00 0.00 C ATOM 261 CG2 VAL A 224 -6.930 -5.024 -11.366 1.00 0.00 C ATOM 0 H VAL A 224 -6.905 -6.023 -8.398 1.00 0.00 H new ATOM 0 HA VAL A 224 -6.169 -3.327 -9.328 1.00 0.00 H new ATOM 0 HB VAL A 224 -8.578 -5.062 -10.017 1.00 0.00 H new ATOM 0 HG11 VAL A 224 -9.043 -3.357 -11.730 1.00 0.00 H new ATOM 0 HG12 VAL A 224 -9.106 -2.677 -10.086 1.00 0.00 H new ATOM 0 HG13 VAL A 224 -7.687 -2.379 -11.119 1.00 0.00 H new ATOM 0 HG21 VAL A 224 -7.540 -5.249 -12.241 1.00 0.00 H new ATOM 0 HG22 VAL A 224 -6.122 -4.350 -11.650 1.00 0.00 H new ATOM 0 HG23 VAL A 224 -6.509 -5.948 -10.969 1.00 0.00 H new ATOM 271 N VAL A 225 -7.738 -2.086 -7.840 1.00 0.00 N ATOM 272 CA VAL A 225 -8.544 -1.359 -6.866 1.00 0.00 C ATOM 273 C VAL A 225 -9.517 -0.411 -7.557 1.00 0.00 C ATOM 274 O VAL A 225 -9.188 0.201 -8.573 1.00 0.00 O ATOM 275 CB VAL A 225 -7.660 -0.553 -5.896 1.00 0.00 C ATOM 276 CG1 VAL A 225 -8.516 0.338 -5.009 1.00 0.00 C ATOM 277 CG2 VAL A 225 -6.802 -1.488 -5.056 1.00 0.00 C ATOM 0 H VAL A 225 -7.093 -1.503 -8.372 1.00 0.00 H new ATOM 0 HA VAL A 225 -9.106 -2.103 -6.301 1.00 0.00 H new ATOM 0 HB VAL A 225 -6.997 0.085 -6.480 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -7.874 0.900 -4.330 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -9.083 1.032 -5.629 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -9.205 -0.278 -4.431 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -6.184 -0.902 -4.376 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -7.445 -2.153 -4.480 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -6.162 -2.080 -5.710 1.00 0.00 H new ATOM 287 N ARG A 226 -10.717 -0.293 -6.998 1.00 0.00 N ATOM 288 CA ARG A 226 -11.739 0.581 -7.560 1.00 0.00 C ATOM 289 C ARG A 226 -11.215 2.007 -7.707 1.00 0.00 C ATOM 290 O ARG A 226 -10.743 2.607 -6.742 1.00 0.00 O ATOM 291 CB ARG A 226 -12.988 0.575 -6.677 1.00 0.00 C ATOM 292 CG ARG A 226 -13.948 -0.562 -6.989 1.00 0.00 C ATOM 293 CD ARG A 226 -14.806 -0.913 -5.783 1.00 0.00 C ATOM 294 NE ARG A 226 -16.034 -1.604 -6.168 1.00 0.00 N ATOM 295 CZ ARG A 226 -17.042 -1.013 -6.801 1.00 0.00 C ATOM 296 NH1 ARG A 226 -16.967 0.272 -7.119 1.00 0.00 N ATOM 297 NH2 ARG A 226 -18.127 -1.708 -7.117 1.00 0.00 N ATOM 0 H ARG A 226 -11.005 -0.792 -6.156 1.00 0.00 H new ATOM 0 HA ARG A 226 -11.999 0.204 -8.549 1.00 0.00 H new ATOM 0 HB2 ARG A 226 -12.684 0.507 -5.632 1.00 0.00 H new ATOM 0 HB3 ARG A 226 -13.511 1.524 -6.795 1.00 0.00 H new ATOM 0 HG2 ARG A 226 -14.590 -0.279 -7.824 1.00 0.00 H new ATOM 0 HG3 ARG A 226 -13.384 -1.440 -7.304 1.00 0.00 H new ATOM 0 HD2 ARG A 226 -14.234 -1.543 -5.102 1.00 0.00 H new ATOM 0 HD3 ARG A 226 -15.058 -0.002 -5.240 1.00 0.00 H new ATOM 0 HE ARG A 226 -16.123 -2.594 -5.939 1.00 0.00 H new ATOM 0 HH11 ARG A 226 -16.134 0.809 -6.878 1.00 0.00 H new ATOM 0 HH12 ARG A 226 -17.742 0.723 -7.605 1.00 0.00 H new ATOM 0 HH21 ARG A 226 -18.188 -2.697 -6.874 1.00 0.00 H new ATOM 0 HH22 ARG A 226 -18.900 -1.254 -7.603 1.00 0.00 H new ATOM 311 N GLU A 227 -11.301 2.542 -8.921 1.00 0.00 N ATOM 312 CA GLU A 227 -10.834 3.896 -9.194 1.00 0.00 C ATOM 313 C GLU A 227 -11.473 4.895 -8.234 1.00 0.00 C ATOM 314 O GLU A 227 -10.983 6.012 -8.068 1.00 0.00 O ATOM 315 CB GLU A 227 -11.150 4.287 -10.639 1.00 0.00 C ATOM 316 CG GLU A 227 -10.415 5.532 -11.107 1.00 0.00 C ATOM 317 CD GLU A 227 -10.920 6.039 -12.444 1.00 0.00 C ATOM 318 OE1 GLU A 227 -10.814 5.294 -13.441 1.00 0.00 O ATOM 319 OE2 GLU A 227 -11.422 7.182 -12.493 1.00 0.00 O ATOM 0 H GLU A 227 -11.690 2.058 -9.731 1.00 0.00 H new ATOM 0 HA GLU A 227 -9.754 3.917 -9.048 1.00 0.00 H new ATOM 0 HB2 GLU A 227 -10.894 3.456 -11.296 1.00 0.00 H new ATOM 0 HB3 GLU A 227 -12.223 4.451 -10.736 1.00 0.00 H new ATOM 0 HG2 GLU A 227 -10.526 6.317 -10.359 1.00 0.00 H new ATOM 0 HG3 GLU A 227 -9.350 5.313 -11.184 1.00 0.00 H new ATOM 326 N ASP A 228 -12.568 4.485 -7.605 1.00 0.00 N ATOM 327 CA ASP A 228 -13.275 5.343 -6.661 1.00 0.00 C ATOM 328 C ASP A 228 -12.680 5.216 -5.261 1.00 0.00 C ATOM 329 O ASP A 228 -12.568 6.202 -4.532 1.00 0.00 O ATOM 330 CB ASP A 228 -14.762 4.988 -6.630 1.00 0.00 C ATOM 331 CG ASP A 228 -15.543 5.668 -7.737 1.00 0.00 C ATOM 332 OD1 ASP A 228 -15.939 6.837 -7.552 1.00 0.00 O ATOM 333 OD2 ASP A 228 -15.758 5.030 -8.790 1.00 0.00 O ATOM 0 H ASP A 228 -12.986 3.563 -7.731 1.00 0.00 H new ATOM 0 HA ASP A 228 -13.163 6.375 -6.992 1.00 0.00 H new ATOM 0 HB2 ASP A 228 -14.877 3.908 -6.719 1.00 0.00 H new ATOM 0 HB3 ASP A 228 -15.181 5.274 -5.665 1.00 0.00 H new ATOM 338 N LEU A 229 -12.301 3.998 -4.893 1.00 0.00 N ATOM 339 CA LEU A 229 -11.718 3.741 -3.581 1.00 0.00 C ATOM 340 C LEU A 229 -10.241 4.120 -3.558 1.00 0.00 C ATOM 341 O LEU A 229 -9.695 4.464 -2.510 1.00 0.00 O ATOM 342 CB LEU A 229 -11.885 2.268 -3.206 1.00 0.00 C ATOM 343 CG LEU A 229 -13.284 1.844 -2.757 1.00 0.00 C ATOM 344 CD1 LEU A 229 -13.392 0.328 -2.709 1.00 0.00 C ATOM 345 CD2 LEU A 229 -13.615 2.448 -1.400 1.00 0.00 C ATOM 0 H LEU A 229 -12.387 3.172 -5.485 1.00 0.00 H new ATOM 0 HA LEU A 229 -12.243 4.356 -2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 229 -11.601 1.661 -4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 229 -11.182 2.036 -2.406 1.00 0.00 H new ATOM 0 HG LEU A 229 -14.006 2.216 -3.483 1.00 0.00 H new ATOM 0 HD11 LEU A 229 -14.394 0.045 -2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 229 -13.199 -0.082 -3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 229 -12.660 -0.067 -2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 229 -14.614 2.135 -1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 229 -12.888 2.106 -0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 229 -13.580 3.535 -1.467 1.00 0.00 H new ATOM 357 N MET A 230 -9.601 4.055 -4.720 1.00 0.00 N ATOM 358 CA MET A 230 -8.187 4.394 -4.834 1.00 0.00 C ATOM 359 C MET A 230 -7.851 5.615 -3.983 1.00 0.00 C ATOM 360 O MET A 230 -7.010 5.546 -3.087 1.00 0.00 O ATOM 361 CB MET A 230 -7.820 4.660 -6.295 1.00 0.00 C ATOM 362 CG MET A 230 -7.635 3.394 -7.115 1.00 0.00 C ATOM 363 SD MET A 230 -7.122 3.733 -8.810 1.00 0.00 S ATOM 364 CE MET A 230 -5.411 3.206 -8.758 1.00 0.00 C ATOM 0 H MET A 230 -10.039 3.771 -5.596 1.00 0.00 H new ATOM 0 HA MET A 230 -7.605 3.547 -4.470 1.00 0.00 H new ATOM 0 HB2 MET A 230 -8.600 5.268 -6.752 1.00 0.00 H new ATOM 0 HB3 MET A 230 -6.900 5.243 -6.330 1.00 0.00 H new ATOM 0 HG2 MET A 230 -6.890 2.760 -6.634 1.00 0.00 H new ATOM 0 HG3 MET A 230 -8.570 2.834 -7.128 1.00 0.00 H new ATOM 0 HE1 MET A 230 -4.889 3.576 -9.641 1.00 0.00 H new ATOM 0 HE2 MET A 230 -4.935 3.604 -7.862 1.00 0.00 H new ATOM 0 HE3 MET A 230 -5.366 2.117 -8.740 1.00 0.00 H new ATOM 374 N GLY A 231 -8.513 6.731 -4.269 1.00 0.00 N ATOM 375 CA GLY A 231 -8.270 7.951 -3.521 1.00 0.00 C ATOM 376 C GLY A 231 -8.116 7.698 -2.034 1.00 0.00 C ATOM 377 O GLY A 231 -7.120 8.098 -1.429 1.00 0.00 O ATOM 0 H GLY A 231 -9.214 6.813 -5.006 1.00 0.00 H new ATOM 0 HA2 GLY A 231 -7.368 8.432 -3.900 1.00 0.00 H new ATOM 0 HA3 GLY A 231 -9.095 8.645 -3.685 1.00 0.00 H new ATOM 381 N LEU A 232 -9.103 7.034 -1.443 1.00 0.00 N ATOM 382 CA LEU A 232 -9.074 6.729 -0.017 1.00 0.00 C ATOM 383 C LEU A 232 -7.901 5.814 0.321 1.00 0.00 C ATOM 384 O LEU A 232 -7.083 6.129 1.183 1.00 0.00 O ATOM 385 CB LEU A 232 -10.387 6.074 0.412 1.00 0.00 C ATOM 386 CG LEU A 232 -11.621 6.978 0.409 1.00 0.00 C ATOM 387 CD1 LEU A 232 -12.889 6.150 0.544 1.00 0.00 C ATOM 388 CD2 LEU A 232 -11.531 8.005 1.528 1.00 0.00 C ATOM 0 H LEU A 232 -9.934 6.696 -1.929 1.00 0.00 H new ATOM 0 HA LEU A 232 -8.948 7.665 0.527 1.00 0.00 H new ATOM 0 HB2 LEU A 232 -10.580 5.228 -0.247 1.00 0.00 H new ATOM 0 HB3 LEU A 232 -10.258 5.672 1.417 1.00 0.00 H new ATOM 0 HG LEU A 232 -11.658 7.508 -0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 232 -13.757 6.810 0.540 1.00 0.00 H new ATOM 0 HD12 LEU A 232 -12.959 5.453 -0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 232 -12.862 5.592 1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 232 -12.417 8.640 1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 232 -11.470 7.493 2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 232 -10.642 8.619 1.387 1.00 0.00 H new ATOM 400 N ALA A 233 -7.826 4.679 -0.367 1.00 0.00 N ATOM 401 CA ALA A 233 -6.752 3.720 -0.144 1.00 0.00 C ATOM 402 C ALA A 233 -5.398 4.418 -0.076 1.00 0.00 C ATOM 403 O ALA A 233 -4.577 4.117 0.791 1.00 0.00 O ATOM 404 CB ALA A 233 -6.750 2.665 -1.240 1.00 0.00 C ATOM 0 H ALA A 233 -8.497 4.402 -1.084 1.00 0.00 H new ATOM 0 HA ALA A 233 -6.928 3.232 0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 233 -5.942 1.955 -1.060 1.00 0.00 H new ATOM 0 HB2 ALA A 233 -7.704 2.137 -1.239 1.00 0.00 H new ATOM 0 HB3 ALA A 233 -6.602 3.145 -2.207 1.00 0.00 H new ATOM 410 N ILE A 234 -5.171 5.350 -0.995 1.00 0.00 N ATOM 411 CA ILE A 234 -3.916 6.090 -1.038 1.00 0.00 C ATOM 412 C ILE A 234 -3.819 7.075 0.122 1.00 0.00 C ATOM 413 O ILE A 234 -2.751 7.263 0.703 1.00 0.00 O ATOM 414 CB ILE A 234 -3.761 6.859 -2.364 1.00 0.00 C ATOM 415 CG1 ILE A 234 -3.829 5.894 -3.549 1.00 0.00 C ATOM 416 CG2 ILE A 234 -2.451 7.632 -2.378 1.00 0.00 C ATOM 417 CD1 ILE A 234 -3.379 6.509 -4.856 1.00 0.00 C ATOM 0 H ILE A 234 -5.840 5.611 -1.720 1.00 0.00 H new ATOM 0 HA ILE A 234 -3.114 5.356 -0.957 1.00 0.00 H new ATOM 0 HB ILE A 234 -4.581 7.571 -2.452 1.00 0.00 H new ATOM 0 HG12 ILE A 234 -3.209 5.023 -3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 234 -4.853 5.537 -3.658 1.00 0.00 H new ATOM 0 HG21 ILE A 234 -2.356 8.170 -3.321 1.00 0.00 H new ATOM 0 HG22 ILE A 234 -2.439 8.343 -1.552 1.00 0.00 H new ATOM 0 HG23 ILE A 234 -1.618 6.938 -2.271 1.00 0.00 H new ATOM 0 HD11 ILE A 234 -3.454 5.768 -5.652 1.00 0.00 H new ATOM 0 HD12 ILE A 234 -4.014 7.362 -5.094 1.00 0.00 H new ATOM 0 HD13 ILE A 234 -2.345 6.841 -4.765 1.00 0.00 H new ATOM 429 N GLY A 235 -4.944 7.702 0.455 1.00 0.00 N ATOM 430 CA GLY A 235 -4.964 8.659 1.546 1.00 0.00 C ATOM 431 C GLY A 235 -4.780 10.086 1.068 1.00 0.00 C ATOM 432 O GLY A 235 -5.408 10.511 0.098 1.00 0.00 O ATOM 0 H GLY A 235 -5.841 7.564 -0.011 1.00 0.00 H new ATOM 0 HA2 GLY A 235 -5.911 8.577 2.080 1.00 0.00 H new ATOM 0 HA3 GLY A 235 -4.175 8.412 2.256 1.00 0.00 H new ATOM 436 N THR A 236 -3.917 10.830 1.753 1.00 0.00 N ATOM 437 CA THR A 236 -3.653 12.219 1.395 1.00 0.00 C ATOM 438 C THR A 236 -2.227 12.394 0.886 1.00 0.00 C ATOM 439 O THR A 236 -1.286 11.820 1.435 1.00 0.00 O ATOM 440 CB THR A 236 -3.878 13.160 2.594 1.00 0.00 C ATOM 441 OG1 THR A 236 -5.207 12.996 3.103 1.00 0.00 O ATOM 442 CG2 THR A 236 -3.660 14.610 2.191 1.00 0.00 C ATOM 0 H THR A 236 -3.389 10.494 2.559 1.00 0.00 H new ATOM 0 HA THR A 236 -4.353 12.480 0.601 1.00 0.00 H new ATOM 0 HB THR A 236 -3.158 12.902 3.370 1.00 0.00 H new ATOM 0 HG1 THR A 236 -5.341 13.596 3.866 1.00 0.00 H new ATOM 0 HG21 THR A 236 -3.824 15.256 3.053 1.00 0.00 H new ATOM 0 HG22 THR A 236 -2.639 14.738 1.831 1.00 0.00 H new ATOM 0 HG23 THR A 236 -4.360 14.877 1.399 1.00 0.00 H new ATOM 450 N HIS A 237 -2.073 13.193 -0.165 1.00 0.00 N ATOM 451 CA HIS A 237 -0.760 13.445 -0.748 1.00 0.00 C ATOM 452 C HIS A 237 0.110 12.194 -0.689 1.00 0.00 C ATOM 453 O HIS A 237 1.262 12.246 -0.259 1.00 0.00 O ATOM 454 CB HIS A 237 -0.068 14.597 -0.017 1.00 0.00 C ATOM 455 CG HIS A 237 -0.395 15.946 -0.579 1.00 0.00 C ATOM 456 ND1 HIS A 237 0.527 16.729 -1.241 1.00 0.00 N ATOM 457 CD2 HIS A 237 -1.551 16.649 -0.578 1.00 0.00 C ATOM 458 CE1 HIS A 237 -0.048 17.857 -1.620 1.00 0.00 C ATOM 459 NE2 HIS A 237 -1.309 17.833 -1.230 1.00 0.00 N ATOM 0 H HIS A 237 -2.841 13.677 -0.630 1.00 0.00 H new ATOM 0 HA HIS A 237 -0.900 13.719 -1.794 1.00 0.00 H new ATOM 0 HB2 HIS A 237 -0.353 14.572 1.035 1.00 0.00 H new ATOM 0 HB3 HIS A 237 1.011 14.447 -0.059 1.00 0.00 H new ATOM 0 HD2 HIS A 237 -2.490 16.337 -0.145 1.00 0.00 H new ATOM 0 HE1 HIS A 237 0.432 18.662 -2.157 1.00 0.00 H new ATOM 0 HE2 HIS A 237 -1.992 18.574 -1.387 1.00 0.00 H new ATOM 467 N GLY A 238 -0.450 11.068 -1.123 1.00 0.00 N ATOM 468 CA GLY A 238 0.289 9.819 -1.110 1.00 0.00 C ATOM 469 C GLY A 238 0.747 9.431 0.281 1.00 0.00 C ATOM 470 O GLY A 238 1.942 9.255 0.523 1.00 0.00 O ATOM 0 H GLY A 238 -1.402 10.999 -1.483 1.00 0.00 H new ATOM 0 HA2 GLY A 238 -0.338 9.026 -1.517 1.00 0.00 H new ATOM 0 HA3 GLY A 238 1.157 9.907 -1.764 1.00 0.00 H new ATOM 474 N SER A 239 -0.204 9.298 1.200 1.00 0.00 N ATOM 475 CA SER A 239 0.109 8.933 2.577 1.00 0.00 C ATOM 476 C SER A 239 0.226 7.419 2.725 1.00 0.00 C ATOM 477 O SER A 239 1.311 6.890 2.965 1.00 0.00 O ATOM 478 CB SER A 239 -0.966 9.468 3.525 1.00 0.00 C ATOM 479 OG SER A 239 -0.480 9.547 4.854 1.00 0.00 O ATOM 0 H SER A 239 -1.198 9.437 1.016 1.00 0.00 H new ATOM 0 HA SER A 239 1.068 9.381 2.837 1.00 0.00 H new ATOM 0 HB2 SER A 239 -1.289 10.455 3.193 1.00 0.00 H new ATOM 0 HB3 SER A 239 -1.840 8.818 3.492 1.00 0.00 H new ATOM 0 HG SER A 239 -1.185 9.893 5.440 1.00 0.00 H new ATOM 485 N ASN A 240 -0.900 6.728 2.579 1.00 0.00 N ATOM 486 CA ASN A 240 -0.925 5.274 2.697 1.00 0.00 C ATOM 487 C ASN A 240 0.283 4.651 2.002 1.00 0.00 C ATOM 488 O ASN A 240 1.112 4.003 2.641 1.00 0.00 O ATOM 489 CB ASN A 240 -2.217 4.716 2.097 1.00 0.00 C ATOM 490 CG ASN A 240 -3.449 5.170 2.854 1.00 0.00 C ATOM 491 OD1 ASN A 240 -3.691 6.367 3.008 1.00 0.00 O ATOM 492 ND2 ASN A 240 -4.236 4.213 3.333 1.00 0.00 N ATOM 0 H ASN A 240 -1.806 7.151 2.379 1.00 0.00 H new ATOM 0 HA ASN A 240 -0.884 5.019 3.756 1.00 0.00 H new ATOM 0 HB2 ASN A 240 -2.297 5.031 1.057 1.00 0.00 H new ATOM 0 HB3 ASN A 240 -2.174 3.627 2.098 1.00 0.00 H new ATOM 0 HD21 ASN A 240 -5.079 4.458 3.852 1.00 0.00 H new ATOM 0 HD22 ASN A 240 -3.997 3.233 3.182 1.00 0.00 H new ATOM 499 N ILE A 241 0.374 4.853 0.692 1.00 0.00 N ATOM 500 CA ILE A 241 1.480 4.313 -0.088 1.00 0.00 C ATOM 501 C ILE A 241 2.797 4.428 0.672 1.00 0.00 C ATOM 502 O ILE A 241 3.519 3.444 0.834 1.00 0.00 O ATOM 503 CB ILE A 241 1.618 5.033 -1.442 1.00 0.00 C ATOM 504 CG1 ILE A 241 0.499 4.601 -2.391 1.00 0.00 C ATOM 505 CG2 ILE A 241 2.981 4.749 -2.057 1.00 0.00 C ATOM 506 CD1 ILE A 241 0.414 5.439 -3.648 1.00 0.00 C ATOM 0 H ILE A 241 -0.305 5.387 0.149 1.00 0.00 H new ATOM 0 HA ILE A 241 1.256 3.261 -0.266 1.00 0.00 H new ATOM 0 HB ILE A 241 1.533 6.107 -1.276 1.00 0.00 H new ATOM 0 HG12 ILE A 241 0.652 3.558 -2.669 1.00 0.00 H new ATOM 0 HG13 ILE A 241 -0.454 4.654 -1.864 1.00 0.00 H new ATOM 0 HG21 ILE A 241 3.063 5.265 -3.014 1.00 0.00 H new ATOM 0 HG22 ILE A 241 3.764 5.102 -1.386 1.00 0.00 H new ATOM 0 HG23 ILE A 241 3.094 3.676 -2.213 1.00 0.00 H new ATOM 0 HD11 ILE A 241 -0.401 5.075 -4.273 1.00 0.00 H new ATOM 0 HD12 ILE A 241 0.230 6.479 -3.380 1.00 0.00 H new ATOM 0 HD13 ILE A 241 1.353 5.367 -4.198 1.00 0.00 H new ATOM 518 N GLN A 242 3.102 5.635 1.138 1.00 0.00 N ATOM 519 CA GLN A 242 4.331 5.877 1.883 1.00 0.00 C ATOM 520 C GLN A 242 4.441 4.932 3.075 1.00 0.00 C ATOM 521 O GLN A 242 5.476 4.299 3.283 1.00 0.00 O ATOM 522 CB GLN A 242 4.385 7.329 2.362 1.00 0.00 C ATOM 523 CG GLN A 242 5.005 8.280 1.352 1.00 0.00 C ATOM 524 CD GLN A 242 5.461 9.582 1.980 1.00 0.00 C ATOM 525 OE1 GLN A 242 4.697 10.544 2.068 1.00 0.00 O ATOM 526 NE2 GLN A 242 6.713 9.620 2.422 1.00 0.00 N ATOM 0 H GLN A 242 2.515 6.460 1.013 1.00 0.00 H new ATOM 0 HA GLN A 242 5.172 5.690 1.216 1.00 0.00 H new ATOM 0 HB2 GLN A 242 3.374 7.665 2.592 1.00 0.00 H new ATOM 0 HB3 GLN A 242 4.955 7.376 3.290 1.00 0.00 H new ATOM 0 HG2 GLN A 242 5.856 7.793 0.875 1.00 0.00 H new ATOM 0 HG3 GLN A 242 4.279 8.494 0.567 1.00 0.00 H new ATOM 0 HE21 GLN A 242 7.312 8.800 2.329 1.00 0.00 H new ATOM 0 HE22 GLN A 242 7.076 10.470 2.855 1.00 0.00 H new ATOM 535 N GLN A 243 3.368 4.842 3.854 1.00 0.00 N ATOM 536 CA GLN A 243 3.345 3.975 5.026 1.00 0.00 C ATOM 537 C GLN A 243 3.555 2.517 4.628 1.00 0.00 C ATOM 538 O GLN A 243 4.113 1.730 5.392 1.00 0.00 O ATOM 539 CB GLN A 243 2.019 4.126 5.773 1.00 0.00 C ATOM 540 CG GLN A 243 1.958 5.359 6.661 1.00 0.00 C ATOM 541 CD GLN A 243 2.252 6.639 5.903 1.00 0.00 C ATOM 542 OE1 GLN A 243 3.347 6.821 5.370 1.00 0.00 O ATOM 543 NE2 GLN A 243 1.273 7.534 5.851 1.00 0.00 N ATOM 0 H GLN A 243 2.503 5.359 3.695 1.00 0.00 H new ATOM 0 HA GLN A 243 4.160 4.275 5.684 1.00 0.00 H new ATOM 0 HB2 GLN A 243 1.206 4.170 5.048 1.00 0.00 H new ATOM 0 HB3 GLN A 243 1.853 3.239 6.385 1.00 0.00 H new ATOM 0 HG2 GLN A 243 0.969 5.428 7.113 1.00 0.00 H new ATOM 0 HG3 GLN A 243 2.674 5.251 7.476 1.00 0.00 H new ATOM 0 HE21 GLN A 243 0.381 7.341 6.307 1.00 0.00 H new ATOM 0 HE22 GLN A 243 1.413 8.414 5.355 1.00 0.00 H new ATOM 552 N ALA A 244 3.103 2.165 3.429 1.00 0.00 N ATOM 553 CA ALA A 244 3.243 0.803 2.930 1.00 0.00 C ATOM 554 C ALA A 244 4.704 0.468 2.650 1.00 0.00 C ATOM 555 O ALA A 244 5.227 -0.532 3.144 1.00 0.00 O ATOM 556 CB ALA A 244 2.406 0.613 1.673 1.00 0.00 C ATOM 0 H ALA A 244 2.637 2.804 2.785 1.00 0.00 H new ATOM 0 HA ALA A 244 2.882 0.121 3.700 1.00 0.00 H new ATOM 0 HB1 ALA A 244 2.520 -0.409 1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 244 1.357 0.802 1.902 1.00 0.00 H new ATOM 0 HB3 ALA A 244 2.741 1.310 0.904 1.00 0.00 H new ATOM 562 N ARG A 245 5.358 1.309 1.856 1.00 0.00 N ATOM 563 CA ARG A 245 6.758 1.100 1.510 1.00 0.00 C ATOM 564 C ARG A 245 7.625 1.036 2.764 1.00 0.00 C ATOM 565 O ARG A 245 8.709 0.454 2.754 1.00 0.00 O ATOM 566 CB ARG A 245 7.252 2.221 0.593 1.00 0.00 C ATOM 567 CG ARG A 245 7.783 3.432 1.343 1.00 0.00 C ATOM 568 CD ARG A 245 7.561 4.715 0.558 1.00 0.00 C ATOM 569 NE ARG A 245 8.690 5.024 -0.317 1.00 0.00 N ATOM 570 CZ ARG A 245 8.745 6.101 -1.093 1.00 0.00 C ATOM 571 NH1 ARG A 245 7.741 6.967 -1.102 1.00 0.00 N ATOM 572 NH2 ARG A 245 9.806 6.313 -1.861 1.00 0.00 N ATOM 0 H ARG A 245 4.940 2.142 1.440 1.00 0.00 H new ATOM 0 HA ARG A 245 6.838 0.148 0.985 1.00 0.00 H new ATOM 0 HB2 ARG A 245 8.039 1.831 -0.053 1.00 0.00 H new ATOM 0 HB3 ARG A 245 6.434 2.536 -0.055 1.00 0.00 H new ATOM 0 HG2 ARG A 245 7.289 3.507 2.312 1.00 0.00 H new ATOM 0 HG3 ARG A 245 8.848 3.303 1.537 1.00 0.00 H new ATOM 0 HD2 ARG A 245 6.654 4.622 -0.040 1.00 0.00 H new ATOM 0 HD3 ARG A 245 7.403 5.541 1.251 1.00 0.00 H new ATOM 0 HE ARG A 245 9.479 4.378 -0.333 1.00 0.00 H new ATOM 0 HH11 ARG A 245 6.924 6.807 -0.512 1.00 0.00 H new ATOM 0 HH12 ARG A 245 7.785 7.793 -1.699 1.00 0.00 H new ATOM 0 HH21 ARG A 245 10.580 5.649 -1.856 1.00 0.00 H new ATOM 0 HH22 ARG A 245 9.847 7.140 -2.457 1.00 0.00 H new ATOM 586 N LYS A 246 7.139 1.640 3.844 1.00 0.00 N ATOM 587 CA LYS A 246 7.868 1.652 5.107 1.00 0.00 C ATOM 588 C LYS A 246 7.838 0.276 5.765 1.00 0.00 C ATOM 589 O LYS A 246 8.371 0.089 6.859 1.00 0.00 O ATOM 590 CB LYS A 246 7.270 2.695 6.054 1.00 0.00 C ATOM 591 CG LYS A 246 7.593 4.127 5.664 1.00 0.00 C ATOM 592 CD LYS A 246 6.875 5.124 6.557 1.00 0.00 C ATOM 593 CE LYS A 246 6.865 6.516 5.944 1.00 0.00 C ATOM 594 NZ LYS A 246 6.043 7.467 6.741 1.00 0.00 N ATOM 0 H LYS A 246 6.243 2.127 3.870 1.00 0.00 H new ATOM 0 HA LYS A 246 8.905 1.913 4.897 1.00 0.00 H new ATOM 0 HB2 LYS A 246 6.188 2.570 6.082 1.00 0.00 H new ATOM 0 HB3 LYS A 246 7.638 2.510 7.063 1.00 0.00 H new ATOM 0 HG2 LYS A 246 8.669 4.289 5.729 1.00 0.00 H new ATOM 0 HG3 LYS A 246 7.307 4.296 4.626 1.00 0.00 H new ATOM 0 HD2 LYS A 246 5.850 4.792 6.724 1.00 0.00 H new ATOM 0 HD3 LYS A 246 7.362 5.158 7.531 1.00 0.00 H new ATOM 0 HE2 LYS A 246 7.887 6.889 5.874 1.00 0.00 H new ATOM 0 HE3 LYS A 246 6.475 6.462 4.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 246 6.397 8.435 6.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 246 5.052 7.413 6.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 246 6.105 7.219 7.749 1.00 0.00 H new ATOM 608 N VAL A 247 7.213 -0.684 5.091 1.00 0.00 N ATOM 609 CA VAL A 247 7.116 -2.043 5.609 1.00 0.00 C ATOM 610 C VAL A 247 8.381 -2.838 5.305 1.00 0.00 C ATOM 611 O VAL A 247 8.952 -2.753 4.217 1.00 0.00 O ATOM 612 CB VAL A 247 5.903 -2.785 5.018 1.00 0.00 C ATOM 613 CG1 VAL A 247 5.869 -4.226 5.503 1.00 0.00 C ATOM 614 CG2 VAL A 247 4.612 -2.063 5.375 1.00 0.00 C ATOM 0 H VAL A 247 6.766 -0.545 4.185 1.00 0.00 H new ATOM 0 HA VAL A 247 6.991 -1.961 6.689 1.00 0.00 H new ATOM 0 HB VAL A 247 5.999 -2.795 3.932 1.00 0.00 H new ATOM 0 HG11 VAL A 247 5.005 -4.734 5.075 1.00 0.00 H new ATOM 0 HG12 VAL A 247 6.781 -4.736 5.192 1.00 0.00 H new ATOM 0 HG13 VAL A 247 5.797 -4.242 6.591 1.00 0.00 H new ATOM 0 HG21 VAL A 247 3.765 -2.601 4.949 1.00 0.00 H new ATOM 0 HG22 VAL A 247 4.507 -2.020 6.459 1.00 0.00 H new ATOM 0 HG23 VAL A 247 4.638 -1.050 4.973 1.00 0.00 H new ATOM 624 N PRO A 248 8.832 -3.632 6.288 1.00 0.00 N ATOM 625 CA PRO A 248 10.034 -4.459 6.150 1.00 0.00 C ATOM 626 C PRO A 248 9.833 -5.615 5.175 1.00 0.00 C ATOM 627 O PRO A 248 8.828 -6.323 5.235 1.00 0.00 O ATOM 628 CB PRO A 248 10.265 -4.989 7.567 1.00 0.00 C ATOM 629 CG PRO A 248 8.920 -4.963 8.206 1.00 0.00 C ATOM 630 CD PRO A 248 8.202 -3.783 7.611 1.00 0.00 C ATOM 0 HA PRO A 248 10.875 -3.892 5.750 1.00 0.00 H new ATOM 0 HB2 PRO A 248 10.675 -5.999 7.550 1.00 0.00 H new ATOM 0 HB3 PRO A 248 10.974 -4.366 8.112 1.00 0.00 H new ATOM 0 HG2 PRO A 248 8.378 -5.888 8.012 1.00 0.00 H new ATOM 0 HG3 PRO A 248 9.004 -4.864 9.288 1.00 0.00 H new ATOM 0 HD2 PRO A 248 7.131 -3.965 7.527 1.00 0.00 H new ATOM 0 HD3 PRO A 248 8.327 -2.888 8.220 1.00 0.00 H new ATOM 638 N GLY A 249 10.796 -5.801 4.278 1.00 0.00 N ATOM 639 CA GLY A 249 10.705 -6.873 3.304 1.00 0.00 C ATOM 640 C GLY A 249 10.161 -6.401 1.971 1.00 0.00 C ATOM 641 O GLY A 249 10.080 -7.173 1.016 1.00 0.00 O ATOM 0 H GLY A 249 11.637 -5.229 4.208 1.00 0.00 H new ATOM 0 HA2 GLY A 249 11.693 -7.310 3.156 1.00 0.00 H new ATOM 0 HA3 GLY A 249 10.063 -7.662 3.696 1.00 0.00 H new ATOM 645 N VAL A 250 9.786 -5.127 1.904 1.00 0.00 N ATOM 646 CA VAL A 250 9.245 -4.552 0.678 1.00 0.00 C ATOM 647 C VAL A 250 10.329 -3.829 -0.114 1.00 0.00 C ATOM 648 O VAL A 250 10.859 -2.808 0.327 1.00 0.00 O ATOM 649 CB VAL A 250 8.100 -3.567 0.977 1.00 0.00 C ATOM 650 CG1 VAL A 250 7.655 -2.863 -0.295 1.00 0.00 C ATOM 651 CG2 VAL A 250 6.932 -4.291 1.631 1.00 0.00 C ATOM 0 H VAL A 250 9.847 -4.474 2.685 1.00 0.00 H new ATOM 0 HA VAL A 250 8.856 -5.380 0.085 1.00 0.00 H new ATOM 0 HB VAL A 250 8.466 -2.812 1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 250 6.845 -2.171 -0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 250 8.494 -2.311 -0.718 1.00 0.00 H new ATOM 0 HG13 VAL A 250 7.306 -3.602 -1.017 1.00 0.00 H new ATOM 0 HG21 VAL A 250 6.132 -3.580 1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 250 6.564 -5.068 0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 250 7.262 -4.744 2.566 1.00 0.00 H new ATOM 661 N THR A 251 10.654 -4.364 -1.286 1.00 0.00 N ATOM 662 CA THR A 251 11.675 -3.771 -2.140 1.00 0.00 C ATOM 663 C THR A 251 11.189 -2.461 -2.750 1.00 0.00 C ATOM 664 O THR A 251 11.806 -1.412 -2.565 1.00 0.00 O ATOM 665 CB THR A 251 12.087 -4.729 -3.274 1.00 0.00 C ATOM 666 OG1 THR A 251 10.921 -5.252 -3.921 1.00 0.00 O ATOM 667 CG2 THR A 251 12.929 -5.875 -2.734 1.00 0.00 C ATOM 0 H THR A 251 10.225 -5.208 -1.666 1.00 0.00 H new ATOM 0 HA THR A 251 12.541 -3.576 -1.507 1.00 0.00 H new ATOM 0 HB THR A 251 12.682 -4.169 -3.995 1.00 0.00 H new ATOM 0 HG1 THR A 251 10.119 -4.938 -3.454 1.00 0.00 H new ATOM 0 HG21 THR A 251 13.208 -6.538 -3.552 1.00 0.00 H new ATOM 0 HG22 THR A 251 13.829 -5.476 -2.267 1.00 0.00 H new ATOM 0 HG23 THR A 251 12.353 -6.433 -1.995 1.00 0.00 H new ATOM 675 N ALA A 252 10.078 -2.528 -3.476 1.00 0.00 N ATOM 676 CA ALA A 252 9.508 -1.346 -4.111 1.00 0.00 C ATOM 677 C ALA A 252 7.988 -1.446 -4.192 1.00 0.00 C ATOM 678 O ALA A 252 7.413 -2.509 -3.955 1.00 0.00 O ATOM 679 CB ALA A 252 10.101 -1.154 -5.499 1.00 0.00 C ATOM 0 H ALA A 252 9.555 -3.388 -3.639 1.00 0.00 H new ATOM 0 HA ALA A 252 9.757 -0.479 -3.499 1.00 0.00 H new ATOM 0 HB1 ALA A 252 9.666 -0.268 -5.961 1.00 0.00 H new ATOM 0 HB2 ALA A 252 11.181 -1.029 -5.419 1.00 0.00 H new ATOM 0 HB3 ALA A 252 9.881 -2.028 -6.113 1.00 0.00 H new ATOM 685 N ILE A 253 7.344 -0.333 -4.527 1.00 0.00 N ATOM 686 CA ILE A 253 5.891 -0.297 -4.639 1.00 0.00 C ATOM 687 C ILE A 253 5.450 0.617 -5.777 1.00 0.00 C ATOM 688 O ILE A 253 5.570 1.839 -5.686 1.00 0.00 O ATOM 689 CB ILE A 253 5.237 0.181 -3.329 1.00 0.00 C ATOM 690 CG1 ILE A 253 5.498 -0.826 -2.207 1.00 0.00 C ATOM 691 CG2 ILE A 253 3.742 0.386 -3.528 1.00 0.00 C ATOM 692 CD1 ILE A 253 4.895 -0.421 -0.880 1.00 0.00 C ATOM 0 H ILE A 253 7.805 0.555 -4.725 1.00 0.00 H new ATOM 0 HA ILE A 253 5.565 -1.316 -4.847 1.00 0.00 H new ATOM 0 HB ILE A 253 5.680 1.136 -3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 253 5.095 -1.796 -2.499 1.00 0.00 H new ATOM 0 HG13 ILE A 253 6.574 -0.951 -2.085 1.00 0.00 H new ATOM 0 HG21 ILE A 253 3.294 0.724 -2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 253 3.577 1.136 -4.302 1.00 0.00 H new ATOM 0 HG23 ILE A 253 3.283 -0.555 -3.831 1.00 0.00 H new ATOM 0 HD11 ILE A 253 5.119 -1.181 -0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 253 5.316 0.534 -0.565 1.00 0.00 H new ATOM 0 HD13 ILE A 253 3.815 -0.324 -0.986 1.00 0.00 H new ATOM 704 N GLU A 254 4.939 0.017 -6.847 1.00 0.00 N ATOM 705 CA GLU A 254 4.479 0.778 -8.003 1.00 0.00 C ATOM 706 C GLU A 254 2.966 0.664 -8.163 1.00 0.00 C ATOM 707 O GLU A 254 2.355 -0.311 -7.721 1.00 0.00 O ATOM 708 CB GLU A 254 5.176 0.288 -9.274 1.00 0.00 C ATOM 709 CG GLU A 254 6.489 0.998 -9.561 1.00 0.00 C ATOM 710 CD GLU A 254 6.288 2.379 -10.152 1.00 0.00 C ATOM 711 OE1 GLU A 254 5.710 2.476 -11.255 1.00 0.00 O ATOM 712 OE2 GLU A 254 6.709 3.365 -9.511 1.00 0.00 O ATOM 0 H GLU A 254 4.833 -0.993 -6.938 1.00 0.00 H new ATOM 0 HA GLU A 254 4.731 1.826 -7.840 1.00 0.00 H new ATOM 0 HB2 GLU A 254 5.363 -0.782 -9.186 1.00 0.00 H new ATOM 0 HB3 GLU A 254 4.505 0.426 -10.122 1.00 0.00 H new ATOM 0 HG2 GLU A 254 7.062 1.082 -8.637 1.00 0.00 H new ATOM 0 HG3 GLU A 254 7.081 0.395 -10.249 1.00 0.00 H new ATOM 719 N LEU A 255 2.367 1.666 -8.796 1.00 0.00 N ATOM 720 CA LEU A 255 0.925 1.680 -9.015 1.00 0.00 C ATOM 721 C LEU A 255 0.597 2.010 -10.468 1.00 0.00 C ATOM 722 O LEU A 255 1.220 2.884 -11.072 1.00 0.00 O ATOM 723 CB LEU A 255 0.258 2.696 -8.086 1.00 0.00 C ATOM 724 CG LEU A 255 -1.080 3.263 -8.562 1.00 0.00 C ATOM 725 CD1 LEU A 255 -2.147 2.179 -8.571 1.00 0.00 C ATOM 726 CD2 LEU A 255 -1.509 4.427 -7.681 1.00 0.00 C ATOM 0 H LEU A 255 2.858 2.480 -9.167 1.00 0.00 H new ATOM 0 HA LEU A 255 0.539 0.685 -8.792 1.00 0.00 H new ATOM 0 HB2 LEU A 255 0.105 2.225 -7.115 1.00 0.00 H new ATOM 0 HB3 LEU A 255 0.948 3.526 -7.933 1.00 0.00 H new ATOM 0 HG LEU A 255 -0.955 3.630 -9.581 1.00 0.00 H new ATOM 0 HD11 LEU A 255 -3.092 2.601 -8.912 1.00 0.00 H new ATOM 0 HD12 LEU A 255 -1.844 1.376 -9.243 1.00 0.00 H new ATOM 0 HD13 LEU A 255 -2.270 1.781 -7.564 1.00 0.00 H new ATOM 0 HD21 LEU A 255 -2.463 4.818 -8.034 1.00 0.00 H new ATOM 0 HD22 LEU A 255 -1.616 4.084 -6.652 1.00 0.00 H new ATOM 0 HD23 LEU A 255 -0.756 5.214 -7.725 1.00 0.00 H new ATOM 738 N ASP A 256 -0.385 1.307 -11.022 1.00 0.00 N ATOM 739 CA ASP A 256 -0.798 1.528 -12.403 1.00 0.00 C ATOM 740 C ASP A 256 -2.114 2.298 -12.460 1.00 0.00 C ATOM 741 O ASP A 256 -3.158 1.790 -12.052 1.00 0.00 O ATOM 742 CB ASP A 256 -0.942 0.193 -13.134 1.00 0.00 C ATOM 743 CG ASP A 256 0.355 -0.257 -13.778 1.00 0.00 C ATOM 744 OD1 ASP A 256 1.429 0.191 -13.325 1.00 0.00 O ATOM 745 OD2 ASP A 256 0.296 -1.058 -14.734 1.00 0.00 O ATOM 0 H ASP A 256 -0.910 0.580 -10.536 1.00 0.00 H new ATOM 0 HA ASP A 256 -0.029 2.122 -12.896 1.00 0.00 H new ATOM 0 HB2 ASP A 256 -1.278 -0.569 -12.431 1.00 0.00 H new ATOM 0 HB3 ASP A 256 -1.713 0.283 -13.900 1.00 0.00 H new ATOM 750 N GLU A 257 -2.055 3.525 -12.967 1.00 0.00 N ATOM 751 CA GLU A 257 -3.242 4.365 -13.075 1.00 0.00 C ATOM 752 C GLU A 257 -4.040 4.019 -14.329 1.00 0.00 C ATOM 753 O GLU A 257 -5.268 4.110 -14.341 1.00 0.00 O ATOM 754 CB GLU A 257 -2.848 5.843 -13.099 1.00 0.00 C ATOM 755 CG GLU A 257 -2.537 6.412 -11.725 1.00 0.00 C ATOM 756 CD GLU A 257 -2.397 7.922 -11.737 1.00 0.00 C ATOM 757 OE1 GLU A 257 -1.800 8.454 -12.696 1.00 0.00 O ATOM 758 OE2 GLU A 257 -2.884 8.571 -10.788 1.00 0.00 O ATOM 0 H GLU A 257 -1.198 3.960 -13.309 1.00 0.00 H new ATOM 0 HA GLU A 257 -3.869 4.178 -12.203 1.00 0.00 H new ATOM 0 HB2 GLU A 257 -1.976 5.967 -13.741 1.00 0.00 H new ATOM 0 HB3 GLU A 257 -3.658 6.419 -13.547 1.00 0.00 H new ATOM 0 HG2 GLU A 257 -3.329 6.130 -11.031 1.00 0.00 H new ATOM 0 HG3 GLU A 257 -1.614 5.968 -11.353 1.00 0.00 H new ATOM 765 N ASP A 258 -3.334 3.625 -15.383 1.00 0.00 N ATOM 766 CA ASP A 258 -3.975 3.265 -16.642 1.00 0.00 C ATOM 767 C ASP A 258 -5.181 2.363 -16.400 1.00 0.00 C ATOM 768 O ASP A 258 -6.189 2.452 -17.103 1.00 0.00 O ATOM 769 CB ASP A 258 -2.977 2.566 -17.566 1.00 0.00 C ATOM 770 CG ASP A 258 -2.098 3.546 -18.317 1.00 0.00 C ATOM 771 OD1 ASP A 258 -2.639 4.533 -18.859 1.00 0.00 O ATOM 772 OD2 ASP A 258 -0.870 3.327 -18.363 1.00 0.00 O ATOM 0 H ASP A 258 -2.317 3.547 -15.390 1.00 0.00 H new ATOM 0 HA ASP A 258 -4.320 4.182 -17.120 1.00 0.00 H new ATOM 0 HB2 ASP A 258 -2.349 1.897 -16.978 1.00 0.00 H new ATOM 0 HB3 ASP A 258 -3.520 1.948 -18.281 1.00 0.00 H new ATOM 777 N THR A 259 -5.072 1.493 -15.401 1.00 0.00 N ATOM 778 CA THR A 259 -6.152 0.573 -15.067 1.00 0.00 C ATOM 779 C THR A 259 -6.501 0.650 -13.585 1.00 0.00 C ATOM 780 O THR A 259 -7.651 0.447 -13.197 1.00 0.00 O ATOM 781 CB THR A 259 -5.782 -0.880 -15.420 1.00 0.00 C ATOM 782 OG1 THR A 259 -4.645 -1.296 -14.655 1.00 0.00 O ATOM 783 CG2 THR A 259 -5.477 -1.014 -16.905 1.00 0.00 C ATOM 0 H THR A 259 -4.246 1.406 -14.809 1.00 0.00 H new ATOM 0 HA THR A 259 -7.017 0.874 -15.658 1.00 0.00 H new ATOM 0 HB THR A 259 -6.633 -1.517 -15.180 1.00 0.00 H new ATOM 0 HG1 THR A 259 -4.417 -2.221 -14.884 1.00 0.00 H new ATOM 0 HG21 THR A 259 -5.218 -2.048 -17.131 1.00 0.00 H new ATOM 0 HG22 THR A 259 -6.354 -0.724 -17.484 1.00 0.00 H new ATOM 0 HG23 THR A 259 -4.640 -0.366 -17.165 1.00 0.00 H new ATOM 791 N GLY A 260 -5.501 0.945 -12.760 1.00 0.00 N ATOM 792 CA GLY A 260 -5.724 1.044 -11.329 1.00 0.00 C ATOM 793 C GLY A 260 -5.314 -0.214 -10.590 1.00 0.00 C ATOM 794 O GLY A 260 -6.060 -0.722 -9.753 1.00 0.00 O ATOM 0 H GLY A 260 -4.540 1.117 -13.057 1.00 0.00 H new ATOM 0 HA2 GLY A 260 -5.164 1.892 -10.935 1.00 0.00 H new ATOM 0 HA3 GLY A 260 -6.779 1.244 -11.142 1.00 0.00 H new ATOM 798 N THR A 261 -4.125 -0.721 -10.901 1.00 0.00 N ATOM 799 CA THR A 261 -3.619 -1.929 -10.263 1.00 0.00 C ATOM 800 C THR A 261 -2.377 -1.632 -9.431 1.00 0.00 C ATOM 801 O THR A 261 -1.425 -1.018 -9.914 1.00 0.00 O ATOM 802 CB THR A 261 -3.279 -3.013 -11.303 1.00 0.00 C ATOM 803 OG1 THR A 261 -4.454 -3.372 -12.038 1.00 0.00 O ATOM 804 CG2 THR A 261 -2.700 -4.248 -10.628 1.00 0.00 C ATOM 0 H THR A 261 -3.495 -0.313 -11.591 1.00 0.00 H new ATOM 0 HA THR A 261 -4.411 -2.297 -9.611 1.00 0.00 H new ATOM 0 HB THR A 261 -2.533 -2.608 -11.987 1.00 0.00 H new ATOM 0 HG1 THR A 261 -4.529 -2.804 -12.833 1.00 0.00 H new ATOM 0 HG21 THR A 261 -2.468 -5.000 -11.382 1.00 0.00 H new ATOM 0 HG22 THR A 261 -1.790 -3.977 -10.093 1.00 0.00 H new ATOM 0 HG23 THR A 261 -3.427 -4.653 -9.924 1.00 0.00 H new ATOM 812 N PHE A 262 -2.391 -2.072 -8.177 1.00 0.00 N ATOM 813 CA PHE A 262 -1.265 -1.853 -7.277 1.00 0.00 C ATOM 814 C PHE A 262 -0.279 -3.015 -7.346 1.00 0.00 C ATOM 815 O PHE A 262 -0.645 -4.168 -7.115 1.00 0.00 O ATOM 816 CB PHE A 262 -1.760 -1.674 -5.840 1.00 0.00 C ATOM 817 CG PHE A 262 -2.056 -0.246 -5.481 1.00 0.00 C ATOM 818 CD1 PHE A 262 -1.026 0.660 -5.283 1.00 0.00 C ATOM 819 CD2 PHE A 262 -3.363 0.191 -5.343 1.00 0.00 C ATOM 820 CE1 PHE A 262 -1.295 1.974 -4.952 1.00 0.00 C ATOM 821 CE2 PHE A 262 -3.639 1.505 -5.012 1.00 0.00 C ATOM 822 CZ PHE A 262 -2.603 2.398 -4.818 1.00 0.00 C ATOM 0 H PHE A 262 -3.170 -2.582 -7.761 1.00 0.00 H new ATOM 0 HA PHE A 262 -0.752 -0.945 -7.593 1.00 0.00 H new ATOM 0 HB2 PHE A 262 -2.661 -2.270 -5.698 1.00 0.00 H new ATOM 0 HB3 PHE A 262 -1.008 -2.064 -5.154 1.00 0.00 H new ATOM 0 HD1 PHE A 262 -0.001 0.335 -5.389 1.00 0.00 H new ATOM 0 HD2 PHE A 262 -4.176 -0.503 -5.496 1.00 0.00 H new ATOM 0 HE1 PHE A 262 -0.483 2.669 -4.798 1.00 0.00 H new ATOM 0 HE2 PHE A 262 -4.663 1.832 -4.905 1.00 0.00 H new ATOM 0 HZ PHE A 262 -2.815 3.426 -4.562 1.00 0.00 H new ATOM 832 N ARG A 263 0.973 -2.703 -7.666 1.00 0.00 N ATOM 833 CA ARG A 263 2.012 -3.721 -7.767 1.00 0.00 C ATOM 834 C ARG A 263 3.039 -3.563 -6.650 1.00 0.00 C ATOM 835 O ARG A 263 3.758 -2.565 -6.592 1.00 0.00 O ATOM 836 CB ARG A 263 2.705 -3.638 -9.128 1.00 0.00 C ATOM 837 CG ARG A 263 2.045 -4.488 -10.202 1.00 0.00 C ATOM 838 CD ARG A 263 2.969 -4.701 -11.391 1.00 0.00 C ATOM 839 NE ARG A 263 2.382 -5.591 -12.388 1.00 0.00 N ATOM 840 CZ ARG A 263 2.976 -5.906 -13.533 1.00 0.00 C ATOM 841 NH1 ARG A 263 4.168 -5.405 -13.825 1.00 0.00 N ATOM 842 NH2 ARG A 263 2.378 -6.723 -14.390 1.00 0.00 N ATOM 0 H ARG A 263 1.292 -1.754 -7.860 1.00 0.00 H new ATOM 0 HA ARG A 263 1.540 -4.698 -7.666 1.00 0.00 H new ATOM 0 HB2 ARG A 263 2.718 -2.599 -9.457 1.00 0.00 H new ATOM 0 HB3 ARG A 263 3.743 -3.950 -9.017 1.00 0.00 H new ATOM 0 HG2 ARG A 263 1.763 -5.453 -9.781 1.00 0.00 H new ATOM 0 HG3 ARG A 263 1.126 -4.006 -10.536 1.00 0.00 H new ATOM 0 HD2 ARG A 263 3.194 -3.739 -11.852 1.00 0.00 H new ATOM 0 HD3 ARG A 263 3.915 -5.118 -11.045 1.00 0.00 H new ATOM 0 HE ARG A 263 1.465 -5.993 -12.194 1.00 0.00 H new ATOM 0 HH11 ARG A 263 4.631 -4.776 -13.169 1.00 0.00 H new ATOM 0 HH12 ARG A 263 4.622 -5.649 -14.705 1.00 0.00 H new ATOM 0 HH21 ARG A 263 1.460 -7.110 -14.170 1.00 0.00 H new ATOM 0 HH22 ARG A 263 2.836 -6.964 -15.269 1.00 0.00 H new ATOM 856 N ILE A 264 3.101 -4.553 -5.766 1.00 0.00 N ATOM 857 CA ILE A 264 4.040 -4.524 -4.652 1.00 0.00 C ATOM 858 C ILE A 264 5.155 -5.546 -4.846 1.00 0.00 C ATOM 859 O ILE A 264 4.914 -6.665 -5.300 1.00 0.00 O ATOM 860 CB ILE A 264 3.333 -4.801 -3.312 1.00 0.00 C ATOM 861 CG1 ILE A 264 2.046 -3.979 -3.211 1.00 0.00 C ATOM 862 CG2 ILE A 264 4.261 -4.487 -2.148 1.00 0.00 C ATOM 863 CD1 ILE A 264 1.260 -4.241 -1.945 1.00 0.00 C ATOM 0 H ILE A 264 2.512 -5.385 -5.800 1.00 0.00 H new ATOM 0 HA ILE A 264 4.469 -3.522 -4.627 1.00 0.00 H new ATOM 0 HB ILE A 264 3.072 -5.858 -3.267 1.00 0.00 H new ATOM 0 HG12 ILE A 264 2.296 -2.919 -3.261 1.00 0.00 H new ATOM 0 HG13 ILE A 264 1.416 -4.199 -4.073 1.00 0.00 H new ATOM 0 HG21 ILE A 264 3.747 -4.688 -1.208 1.00 0.00 H new ATOM 0 HG22 ILE A 264 5.152 -5.111 -2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 264 4.550 -3.437 -2.186 1.00 0.00 H new ATOM 0 HD11 ILE A 264 0.361 -3.625 -1.941 1.00 0.00 H new ATOM 0 HD12 ILE A 264 0.979 -5.293 -1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 264 1.873 -3.994 -1.078 1.00 0.00 H new ATOM 875 N TYR A 265 6.376 -5.155 -4.497 1.00 0.00 N ATOM 876 CA TYR A 265 7.529 -6.036 -4.633 1.00 0.00 C ATOM 877 C TYR A 265 8.195 -6.274 -3.281 1.00 0.00 C ATOM 878 O TYR A 265 8.699 -5.344 -2.652 1.00 0.00 O ATOM 879 CB TYR A 265 8.540 -5.441 -5.614 1.00 0.00 C ATOM 880 CG TYR A 265 7.967 -5.182 -6.990 1.00 0.00 C ATOM 881 CD1 TYR A 265 7.324 -3.985 -7.282 1.00 0.00 C ATOM 882 CD2 TYR A 265 8.069 -6.134 -7.997 1.00 0.00 C ATOM 883 CE1 TYR A 265 6.799 -3.745 -8.537 1.00 0.00 C ATOM 884 CE2 TYR A 265 7.549 -5.901 -9.255 1.00 0.00 C ATOM 885 CZ TYR A 265 6.914 -4.705 -9.520 1.00 0.00 C ATOM 886 OH TYR A 265 6.393 -4.470 -10.772 1.00 0.00 O ATOM 0 H TYR A 265 6.592 -4.233 -4.118 1.00 0.00 H new ATOM 0 HA TYR A 265 7.179 -6.993 -5.019 1.00 0.00 H new ATOM 0 HB2 TYR A 265 8.922 -4.505 -5.206 1.00 0.00 H new ATOM 0 HB3 TYR A 265 9.389 -6.119 -5.704 1.00 0.00 H new ATOM 0 HD1 TYR A 265 7.233 -3.230 -6.515 1.00 0.00 H new ATOM 0 HD2 TYR A 265 8.563 -7.072 -7.792 1.00 0.00 H new ATOM 0 HE1 TYR A 265 6.301 -2.810 -8.747 1.00 0.00 H new ATOM 0 HE2 TYR A 265 7.639 -6.651 -10.027 1.00 0.00 H new ATOM 0 HH TYR A 265 6.560 -5.246 -11.347 1.00 0.00 H new ATOM 896 N GLY A 266 8.194 -7.528 -2.840 1.00 0.00 N ATOM 897 CA GLY A 266 8.801 -7.868 -1.566 1.00 0.00 C ATOM 898 C GLY A 266 9.568 -9.174 -1.619 1.00 0.00 C ATOM 899 O GLY A 266 9.247 -10.057 -2.413 1.00 0.00 O ATOM 0 H GLY A 266 7.784 -8.315 -3.342 1.00 0.00 H new ATOM 0 HA2 GLY A 266 9.475 -7.067 -1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 266 8.025 -7.937 -0.804 1.00 0.00 H new ATOM 903 N GLU A 267 10.587 -9.295 -0.773 1.00 0.00 N ATOM 904 CA GLU A 267 11.403 -10.502 -0.730 1.00 0.00 C ATOM 905 C GLU A 267 10.597 -11.686 -0.204 1.00 0.00 C ATOM 906 O GLU A 267 10.830 -12.831 -0.591 1.00 0.00 O ATOM 907 CB GLU A 267 12.636 -10.279 0.149 1.00 0.00 C ATOM 908 CG GLU A 267 13.782 -9.592 -0.573 1.00 0.00 C ATOM 909 CD GLU A 267 14.769 -8.947 0.381 1.00 0.00 C ATOM 910 OE1 GLU A 267 15.007 -9.518 1.465 1.00 0.00 O ATOM 911 OE2 GLU A 267 15.304 -7.870 0.041 1.00 0.00 O ATOM 0 H GLU A 267 10.866 -8.573 -0.109 1.00 0.00 H new ATOM 0 HA GLU A 267 11.726 -10.728 -1.746 1.00 0.00 H new ATOM 0 HB2 GLU A 267 12.352 -9.680 1.014 1.00 0.00 H new ATOM 0 HB3 GLU A 267 12.981 -11.241 0.527 1.00 0.00 H new ATOM 0 HG2 GLU A 267 14.305 -10.320 -1.193 1.00 0.00 H new ATOM 0 HG3 GLU A 267 13.381 -8.832 -1.243 1.00 0.00 H new ATOM 918 N SER A 268 9.648 -11.401 0.682 1.00 0.00 N ATOM 919 CA SER A 268 8.809 -12.442 1.265 1.00 0.00 C ATOM 920 C SER A 268 7.333 -12.073 1.159 1.00 0.00 C ATOM 921 O SER A 268 6.943 -10.940 1.438 1.00 0.00 O ATOM 922 CB SER A 268 9.186 -12.668 2.731 1.00 0.00 C ATOM 923 OG SER A 268 9.241 -11.441 3.438 1.00 0.00 O ATOM 0 H SER A 268 9.441 -10.458 1.012 1.00 0.00 H new ATOM 0 HA SER A 268 8.976 -13.364 0.708 1.00 0.00 H new ATOM 0 HB2 SER A 268 8.457 -13.329 3.200 1.00 0.00 H new ATOM 0 HB3 SER A 268 10.153 -13.168 2.788 1.00 0.00 H new ATOM 0 HG SER A 268 9.482 -11.612 4.372 1.00 0.00 H new ATOM 929 N ALA A 269 6.516 -13.039 0.752 1.00 0.00 N ATOM 930 CA ALA A 269 5.082 -12.818 0.610 1.00 0.00 C ATOM 931 C ALA A 269 4.514 -12.099 1.829 1.00 0.00 C ATOM 932 O ALA A 269 3.567 -11.320 1.716 1.00 0.00 O ATOM 933 CB ALA A 269 4.363 -14.141 0.392 1.00 0.00 C ATOM 0 H ALA A 269 6.823 -13.982 0.515 1.00 0.00 H new ATOM 0 HA ALA A 269 4.922 -12.183 -0.261 1.00 0.00 H new ATOM 0 HB1 ALA A 269 3.293 -13.961 0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 269 4.741 -14.616 -0.513 1.00 0.00 H new ATOM 0 HB3 ALA A 269 4.539 -14.796 1.245 1.00 0.00 H new ATOM 939 N ASP A 270 5.097 -12.366 2.992 1.00 0.00 N ATOM 940 CA ASP A 270 4.649 -11.744 4.233 1.00 0.00 C ATOM 941 C ASP A 270 4.817 -10.229 4.172 1.00 0.00 C ATOM 942 O ASP A 270 3.945 -9.480 4.612 1.00 0.00 O ATOM 943 CB ASP A 270 5.427 -12.309 5.422 1.00 0.00 C ATOM 944 CG ASP A 270 5.098 -13.765 5.690 1.00 0.00 C ATOM 945 OD1 ASP A 270 4.023 -14.035 6.264 1.00 0.00 O ATOM 946 OD2 ASP A 270 5.916 -14.634 5.324 1.00 0.00 O ATOM 0 H ASP A 270 5.881 -13.009 3.102 1.00 0.00 H new ATOM 0 HA ASP A 270 3.590 -11.969 4.362 1.00 0.00 H new ATOM 0 HB2 ASP A 270 6.496 -12.210 5.233 1.00 0.00 H new ATOM 0 HB3 ASP A 270 5.204 -11.720 6.311 1.00 0.00 H new ATOM 951 N ALA A 271 5.944 -9.785 3.626 1.00 0.00 N ATOM 952 CA ALA A 271 6.226 -8.360 3.508 1.00 0.00 C ATOM 953 C ALA A 271 5.204 -7.671 2.610 1.00 0.00 C ATOM 954 O ALA A 271 4.430 -6.829 3.066 1.00 0.00 O ATOM 955 CB ALA A 271 7.634 -8.143 2.972 1.00 0.00 C ATOM 0 H ALA A 271 6.677 -10.392 3.258 1.00 0.00 H new ATOM 0 HA ALA A 271 6.155 -7.917 4.501 1.00 0.00 H new ATOM 0 HB1 ALA A 271 7.831 -7.074 2.889 1.00 0.00 H new ATOM 0 HB2 ALA A 271 8.356 -8.593 3.653 1.00 0.00 H new ATOM 0 HB3 ALA A 271 7.725 -8.606 1.989 1.00 0.00 H new ATOM 961 N VAL A 272 5.208 -8.033 1.331 1.00 0.00 N ATOM 962 CA VAL A 272 4.281 -7.450 0.369 1.00 0.00 C ATOM 963 C VAL A 272 2.845 -7.525 0.874 1.00 0.00 C ATOM 964 O VAL A 272 2.037 -6.631 0.620 1.00 0.00 O ATOM 965 CB VAL A 272 4.370 -8.157 -0.997 1.00 0.00 C ATOM 966 CG1 VAL A 272 5.469 -7.537 -1.848 1.00 0.00 C ATOM 967 CG2 VAL A 272 4.606 -9.648 -0.810 1.00 0.00 C ATOM 0 H VAL A 272 5.843 -8.727 0.937 1.00 0.00 H new ATOM 0 HA VAL A 272 4.567 -6.405 0.249 1.00 0.00 H new ATOM 0 HB VAL A 272 3.422 -8.025 -1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 272 5.517 -8.049 -2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 272 5.252 -6.481 -2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 272 6.426 -7.636 -1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 272 4.666 -10.132 -1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 272 5.540 -9.804 -0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 272 3.781 -10.078 -0.242 1.00 0.00 H new ATOM 977 N LYS A 273 2.532 -8.598 1.593 1.00 0.00 N ATOM 978 CA LYS A 273 1.193 -8.791 2.137 1.00 0.00 C ATOM 979 C LYS A 273 0.873 -7.729 3.184 1.00 0.00 C ATOM 980 O LYS A 273 -0.150 -7.048 3.101 1.00 0.00 O ATOM 981 CB LYS A 273 1.067 -10.185 2.755 1.00 0.00 C ATOM 982 CG LYS A 273 0.624 -11.250 1.767 1.00 0.00 C ATOM 983 CD LYS A 273 0.534 -12.617 2.424 1.00 0.00 C ATOM 984 CE LYS A 273 -0.798 -12.809 3.132 1.00 0.00 C ATOM 985 NZ LYS A 273 -0.767 -12.283 4.525 1.00 0.00 N ATOM 0 H LYS A 273 3.188 -9.348 1.812 1.00 0.00 H new ATOM 0 HA LYS A 273 0.479 -8.697 1.319 1.00 0.00 H new ATOM 0 HB2 LYS A 273 2.028 -10.473 3.180 1.00 0.00 H new ATOM 0 HB3 LYS A 273 0.353 -10.145 3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 273 -0.347 -10.981 1.351 1.00 0.00 H new ATOM 0 HG3 LYS A 273 1.327 -11.291 0.935 1.00 0.00 H new ATOM 0 HD2 LYS A 273 0.661 -13.393 1.670 1.00 0.00 H new ATOM 0 HD3 LYS A 273 1.348 -12.732 3.140 1.00 0.00 H new ATOM 0 HE2 LYS A 273 -1.584 -12.304 2.570 1.00 0.00 H new ATOM 0 HE3 LYS A 273 -1.050 -13.869 3.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 273 -1.051 -13.034 5.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 273 0.196 -11.965 4.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 273 -1.425 -11.482 4.608 1.00 0.00 H new ATOM 999 N LYS A 274 1.754 -7.591 4.169 1.00 0.00 N ATOM 1000 CA LYS A 274 1.568 -6.610 5.232 1.00 0.00 C ATOM 1001 C LYS A 274 1.344 -5.217 4.653 1.00 0.00 C ATOM 1002 O LYS A 274 0.417 -4.511 5.048 1.00 0.00 O ATOM 1003 CB LYS A 274 2.783 -6.598 6.162 1.00 0.00 C ATOM 1004 CG LYS A 274 2.551 -5.837 7.455 1.00 0.00 C ATOM 1005 CD LYS A 274 3.514 -6.280 8.544 1.00 0.00 C ATOM 1006 CE LYS A 274 3.429 -5.378 9.765 1.00 0.00 C ATOM 1007 NZ LYS A 274 2.112 -5.493 10.450 1.00 0.00 N ATOM 0 H LYS A 274 2.605 -8.147 4.253 1.00 0.00 H new ATOM 0 HA LYS A 274 0.684 -6.894 5.803 1.00 0.00 H new ATOM 0 HB2 LYS A 274 3.059 -7.626 6.399 1.00 0.00 H new ATOM 0 HB3 LYS A 274 3.628 -6.155 5.636 1.00 0.00 H new ATOM 0 HG2 LYS A 274 2.670 -4.768 7.276 1.00 0.00 H new ATOM 0 HG3 LYS A 274 1.525 -5.992 7.790 1.00 0.00 H new ATOM 0 HD2 LYS A 274 3.290 -7.307 8.833 1.00 0.00 H new ATOM 0 HD3 LYS A 274 4.532 -6.273 8.155 1.00 0.00 H new ATOM 0 HE2 LYS A 274 4.225 -5.636 10.463 1.00 0.00 H new ATOM 0 HE3 LYS A 274 3.592 -4.343 9.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 2.101 -4.875 11.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 1.355 -5.206 9.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 1.959 -6.478 10.745 1.00 0.00 H new ATOM 1021 N ALA A 275 2.199 -4.827 3.712 1.00 0.00 N ATOM 1022 CA ALA A 275 2.092 -3.520 3.077 1.00 0.00 C ATOM 1023 C ALA A 275 0.845 -3.434 2.204 1.00 0.00 C ATOM 1024 O ALA A 275 0.215 -2.381 2.107 1.00 0.00 O ATOM 1025 CB ALA A 275 3.338 -3.231 2.252 1.00 0.00 C ATOM 0 H ALA A 275 2.973 -5.398 3.373 1.00 0.00 H new ATOM 0 HA ALA A 275 2.006 -2.768 3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 275 3.245 -2.251 1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 275 4.214 -3.241 2.900 1.00 0.00 H new ATOM 0 HB3 ALA A 275 3.449 -3.993 1.481 1.00 0.00 H new ATOM 1031 N ARG A 276 0.495 -4.549 1.569 1.00 0.00 N ATOM 1032 CA ARG A 276 -0.676 -4.598 0.703 1.00 0.00 C ATOM 1033 C ARG A 276 -1.911 -4.069 1.426 1.00 0.00 C ATOM 1034 O ARG A 276 -2.702 -3.319 0.857 1.00 0.00 O ATOM 1035 CB ARG A 276 -0.925 -6.031 0.228 1.00 0.00 C ATOM 1036 CG ARG A 276 -2.219 -6.198 -0.552 1.00 0.00 C ATOM 1037 CD ARG A 276 -2.579 -7.665 -0.726 1.00 0.00 C ATOM 1038 NE ARG A 276 -3.880 -7.837 -1.368 1.00 0.00 N ATOM 1039 CZ ARG A 276 -4.300 -8.989 -1.880 1.00 0.00 C ATOM 1040 NH1 ARG A 276 -3.526 -10.064 -1.826 1.00 0.00 N ATOM 1041 NH2 ARG A 276 -5.497 -9.066 -2.448 1.00 0.00 N ATOM 0 H ARG A 276 1.006 -5.429 1.639 1.00 0.00 H new ATOM 0 HA ARG A 276 -0.484 -3.963 -0.162 1.00 0.00 H new ATOM 0 HB2 ARG A 276 -0.090 -6.348 -0.397 1.00 0.00 H new ATOM 0 HB3 ARG A 276 -0.944 -6.693 1.093 1.00 0.00 H new ATOM 0 HG2 ARG A 276 -3.027 -5.683 -0.033 1.00 0.00 H new ATOM 0 HG3 ARG A 276 -2.119 -5.728 -1.530 1.00 0.00 H new ATOM 0 HD2 ARG A 276 -1.812 -8.158 -1.323 1.00 0.00 H new ATOM 0 HD3 ARG A 276 -2.588 -8.154 0.248 1.00 0.00 H new ATOM 0 HE ARG A 276 -4.500 -7.029 -1.426 1.00 0.00 H new ATOM 0 HH11 ARG A 276 -2.605 -10.008 -1.391 1.00 0.00 H new ATOM 0 HH12 ARG A 276 -3.851 -10.947 -2.220 1.00 0.00 H new ATOM 0 HH21 ARG A 276 -6.095 -8.241 -2.492 1.00 0.00 H new ATOM 0 HH22 ARG A 276 -5.819 -9.950 -2.841 1.00 0.00 H new ATOM 1055 N GLY A 277 -2.069 -4.466 2.685 1.00 0.00 N ATOM 1056 CA GLY A 277 -3.209 -4.022 3.465 1.00 0.00 C ATOM 1057 C GLY A 277 -3.407 -2.521 3.401 1.00 0.00 C ATOM 1058 O GLY A 277 -4.538 -2.035 3.431 1.00 0.00 O ATOM 0 H GLY A 277 -1.428 -5.087 3.178 1.00 0.00 H new ATOM 0 HA2 GLY A 277 -4.109 -4.520 3.103 1.00 0.00 H new ATOM 0 HA3 GLY A 277 -3.074 -4.323 4.504 1.00 0.00 H new ATOM 1062 N PHE A 278 -2.305 -1.784 3.313 1.00 0.00 N ATOM 1063 CA PHE A 278 -2.362 -0.328 3.247 1.00 0.00 C ATOM 1064 C PHE A 278 -2.912 0.134 1.901 1.00 0.00 C ATOM 1065 O PHE A 278 -3.746 1.039 1.835 1.00 0.00 O ATOM 1066 CB PHE A 278 -0.972 0.269 3.475 1.00 0.00 C ATOM 1067 CG PHE A 278 -0.517 0.200 4.905 1.00 0.00 C ATOM 1068 CD1 PHE A 278 -1.251 0.811 5.909 1.00 0.00 C ATOM 1069 CD2 PHE A 278 0.643 -0.476 5.244 1.00 0.00 C ATOM 1070 CE1 PHE A 278 -0.834 0.750 7.225 1.00 0.00 C ATOM 1071 CE2 PHE A 278 1.065 -0.541 6.559 1.00 0.00 C ATOM 1072 CZ PHE A 278 0.325 0.072 7.551 1.00 0.00 C ATOM 0 H PHE A 278 -1.362 -2.171 3.286 1.00 0.00 H new ATOM 0 HA PHE A 278 -3.032 0.020 4.033 1.00 0.00 H new ATOM 0 HB2 PHE A 278 -0.252 -0.256 2.847 1.00 0.00 H new ATOM 0 HB3 PHE A 278 -0.975 1.310 3.153 1.00 0.00 H new ATOM 0 HD1 PHE A 278 -2.159 1.341 5.660 1.00 0.00 H new ATOM 0 HD2 PHE A 278 1.225 -0.958 4.472 1.00 0.00 H new ATOM 0 HE1 PHE A 278 -1.414 1.232 7.998 1.00 0.00 H new ATOM 0 HE2 PHE A 278 1.972 -1.070 6.810 1.00 0.00 H new ATOM 0 HZ PHE A 278 0.651 0.022 8.579 1.00 0.00 H new ATOM 1082 N LEU A 279 -2.440 -0.492 0.829 1.00 0.00 N ATOM 1083 CA LEU A 279 -2.883 -0.146 -0.517 1.00 0.00 C ATOM 1084 C LEU A 279 -4.305 -0.638 -0.766 1.00 0.00 C ATOM 1085 O LEU A 279 -5.048 -0.046 -1.548 1.00 0.00 O ATOM 1086 CB LEU A 279 -1.935 -0.746 -1.557 1.00 0.00 C ATOM 1087 CG LEU A 279 -0.471 -0.316 -1.458 1.00 0.00 C ATOM 1088 CD1 LEU A 279 0.393 -1.139 -2.401 1.00 0.00 C ATOM 1089 CD2 LEU A 279 -0.329 1.169 -1.760 1.00 0.00 C ATOM 0 H LEU A 279 -1.750 -1.242 0.866 1.00 0.00 H new ATOM 0 HA LEU A 279 -2.873 0.940 -0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -1.980 -1.832 -1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -2.303 -0.484 -2.549 1.00 0.00 H new ATOM 0 HG LEU A 279 -0.129 -0.493 -0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 279 1.431 -0.818 -2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 279 0.316 -2.194 -2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 279 0.051 -0.995 -3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 279 0.720 1.457 -1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -0.689 1.371 -2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -0.915 1.744 -1.043 1.00 0.00 H new ATOM 1101 N GLU A 280 -4.677 -1.722 -0.093 1.00 0.00 N ATOM 1102 CA GLU A 280 -6.011 -2.292 -0.240 1.00 0.00 C ATOM 1103 C GLU A 280 -7.081 -1.213 -0.104 1.00 0.00 C ATOM 1104 O GLU A 280 -6.926 -0.262 0.663 1.00 0.00 O ATOM 1105 CB GLU A 280 -6.240 -3.388 0.803 1.00 0.00 C ATOM 1106 CG GLU A 280 -5.590 -4.714 0.446 1.00 0.00 C ATOM 1107 CD GLU A 280 -6.475 -5.581 -0.428 1.00 0.00 C ATOM 1108 OE1 GLU A 280 -6.608 -5.270 -1.631 1.00 0.00 O ATOM 1109 OE2 GLU A 280 -7.034 -6.570 0.089 1.00 0.00 O ATOM 0 H GLU A 280 -4.074 -2.223 0.559 1.00 0.00 H new ATOM 0 HA GLU A 280 -6.084 -2.728 -1.236 1.00 0.00 H new ATOM 0 HB2 GLU A 280 -5.852 -3.050 1.764 1.00 0.00 H new ATOM 0 HB3 GLU A 280 -7.312 -3.541 0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 280 -4.649 -4.526 -0.070 1.00 0.00 H new ATOM 0 HG3 GLU A 280 -5.349 -5.254 1.361 1.00 0.00 H new