USER MOD reduce.3.24.130724 H: found=0, std=0, add=330, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 328 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 284 SER OG : rot 180:sc= 0.467 USER MOD Set 1.2: A 287 GLN : amide:sc= 1.15 K(o=1.6,f=1) USER MOD Set 2.1: A 259 CYS SG : rot -176:sc= 1.09 USER MOD Set 2.2: A 264 CYS SG : rot 149:sc= 2.2 USER MOD Set 2.3: A 266 LYS NZ :NH3+ -110:sc= 1.4 (180deg=-0.102) USER MOD Set 2.4: A 285 CYS SG : rot 61:sc= 3.01 USER MOD Set 2.5: A 296 CYS SG : rot -9:sc= 1.3 USER MOD Single : A 258 GLN : amide:sc= 0.845 K(o=0.85,f=-2.3!) USER MOD Single : A 260 SER OG : rot 180:sc= 0 USER MOD Single : A 263 ASN : amide:sc= 0.0358 K(o=0.036,f=-1.1) USER MOD Single : A 277 SER OG : rot -39:sc= 0.0787 USER MOD Single : A 282 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 288 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.34) USER MOD Single : A 289 THR OG1 : rot 180:sc= 0.0108 USER MOD Single : A 292 GLN : amide:sc=-0.00693 K(o=-0.0069,f=-0.77) USER MOD Single : A 293 TYR OH : rot 180:sc= 0 USER MOD Single : A 294 ASN : amide:sc= -0.217 K(o=-0.22,f=-1.1) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 194 N VAL A 255 1.573 0.535 -5.009 1.00 0.00 N ATOM 195 CA VAL A 255 0.211 0.989 -4.669 1.00 0.00 C ATOM 196 C VAL A 255 -0.017 0.800 -3.168 1.00 0.00 C ATOM 197 O VAL A 255 0.367 -0.228 -2.610 1.00 0.00 O ATOM 198 CB VAL A 255 -0.875 0.236 -5.480 1.00 0.00 C ATOM 199 CG1 VAL A 255 -2.298 0.744 -5.169 1.00 0.00 C ATOM 200 CG2 VAL A 255 -0.631 0.364 -6.993 1.00 0.00 C ATOM 0 HA VAL A 255 0.126 2.044 -4.931 1.00 0.00 H new ATOM 0 HB VAL A 255 -0.801 -0.809 -5.179 1.00 0.00 H new ATOM 0 HG11 VAL A 255 -3.022 0.185 -5.762 1.00 0.00 H new ATOM 0 HG12 VAL A 255 -2.511 0.603 -4.109 1.00 0.00 H new ATOM 0 HG13 VAL A 255 -2.368 1.803 -5.415 1.00 0.00 H new ATOM 0 HG21 VAL A 255 -1.409 -0.175 -7.534 1.00 0.00 H new ATOM 0 HG22 VAL A 255 -0.653 1.416 -7.277 1.00 0.00 H new ATOM 0 HG23 VAL A 255 0.343 -0.059 -7.242 1.00 0.00 H new ATOM 210 N TRP A 256 -0.667 1.778 -2.532 1.00 0.00 N ATOM 211 CA TRP A 256 -1.039 1.744 -1.118 1.00 0.00 C ATOM 212 C TRP A 256 -2.516 2.119 -0.909 1.00 0.00 C ATOM 213 O TRP A 256 -3.084 2.931 -1.644 1.00 0.00 O ATOM 214 CB TRP A 256 -0.145 2.695 -0.310 1.00 0.00 C ATOM 215 CG TRP A 256 1.316 2.405 -0.225 1.00 0.00 C ATOM 216 CD1 TRP A 256 2.224 2.653 -1.192 1.00 0.00 C ATOM 217 CD2 TRP A 256 2.070 1.858 0.902 1.00 0.00 C ATOM 218 NE1 TRP A 256 3.486 2.350 -0.730 1.00 0.00 N ATOM 219 CE2 TRP A 256 3.448 1.803 0.535 1.00 0.00 C ATOM 220 CE3 TRP A 256 1.728 1.392 2.193 1.00 0.00 C ATOM 221 CZ2 TRP A 256 4.430 1.271 1.384 1.00 0.00 C ATOM 222 CZ3 TRP A 256 2.698 0.826 3.039 1.00 0.00 C ATOM 223 CH2 TRP A 256 4.041 0.753 2.632 1.00 0.00 C ATOM 0 H TRP A 256 -0.956 2.637 -3.000 1.00 0.00 H new ATOM 0 HA TRP A 256 -0.897 0.722 -0.767 1.00 0.00 H new ATOM 0 HB2 TRP A 256 -0.260 3.694 -0.731 1.00 0.00 H new ATOM 0 HB3 TRP A 256 -0.535 2.731 0.707 1.00 0.00 H new ATOM 0 HD1 TRP A 256 1.996 3.031 -2.178 1.00 0.00 H new ATOM 0 HE1 TRP A 256 4.343 2.511 -1.259 1.00 0.00 H new ATOM 0 HE3 TRP A 256 0.706 1.472 2.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 256 5.467 1.260 1.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 256 2.409 0.445 4.007 1.00 0.00 H new ATOM 0 HH2 TRP A 256 4.776 0.298 3.279 1.00 0.00 H new ATOM 234 N VAL A 257 -3.113 1.550 0.138 1.00 0.00 N ATOM 235 CA VAL A 257 -4.538 1.673 0.501 1.00 0.00 C ATOM 236 C VAL A 257 -4.679 2.009 1.983 1.00 0.00 C ATOM 237 O VAL A 257 -4.021 1.386 2.814 1.00 0.00 O ATOM 238 CB VAL A 257 -5.318 0.369 0.207 1.00 0.00 C ATOM 239 CG1 VAL A 257 -5.783 0.331 -1.247 1.00 0.00 C ATOM 240 CG2 VAL A 257 -4.522 -0.911 0.509 1.00 0.00 C ATOM 0 H VAL A 257 -2.598 0.961 0.792 1.00 0.00 H new ATOM 0 HA VAL A 257 -4.957 2.475 -0.107 1.00 0.00 H new ATOM 0 HB VAL A 257 -6.174 0.387 0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -6.329 -0.595 -1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -6.435 1.182 -1.443 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -4.917 0.378 -1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -5.134 -1.783 0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -3.619 -0.930 -0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -4.248 -0.929 1.564 1.00 0.00 H new ATOM 250 N GLN A 258 -5.524 2.992 2.306 1.00 0.00 N ATOM 251 CA GLN A 258 -5.796 3.402 3.684 1.00 0.00 C ATOM 252 C GLN A 258 -7.052 2.703 4.220 1.00 0.00 C ATOM 253 O GLN A 258 -8.095 2.686 3.558 1.00 0.00 O ATOM 254 CB GLN A 258 -5.944 4.927 3.778 1.00 0.00 C ATOM 255 CG GLN A 258 -5.965 5.419 5.240 1.00 0.00 C ATOM 256 CD GLN A 258 -5.857 6.941 5.377 1.00 0.00 C ATOM 257 OE1 GLN A 258 -6.487 7.714 4.668 1.00 0.00 O ATOM 258 NE2 GLN A 258 -5.067 7.439 6.306 1.00 0.00 N ATOM 0 H GLN A 258 -6.042 3.530 1.611 1.00 0.00 H new ATOM 0 HA GLN A 258 -4.949 3.103 4.301 1.00 0.00 H new ATOM 0 HB2 GLN A 258 -5.120 5.404 3.247 1.00 0.00 H new ATOM 0 HB3 GLN A 258 -6.864 5.233 3.280 1.00 0.00 H new ATOM 0 HG2 GLN A 258 -6.888 5.085 5.714 1.00 0.00 H new ATOM 0 HG3 GLN A 258 -5.142 4.954 5.783 1.00 0.00 H new ATOM 0 HE21 GLN A 258 -4.532 6.814 6.909 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -4.990 8.449 6.422 1.00 0.00 H new ATOM 267 N CYS A 259 -6.951 2.170 5.440 1.00 0.00 N ATOM 268 CA CYS A 259 -8.039 1.535 6.176 1.00 0.00 C ATOM 269 C CYS A 259 -9.274 2.454 6.330 1.00 0.00 C ATOM 270 O CYS A 259 -9.155 3.647 6.629 1.00 0.00 O ATOM 271 CB CYS A 259 -7.469 1.125 7.536 1.00 0.00 C ATOM 272 SG CYS A 259 -8.611 -0.021 8.354 1.00 0.00 S ATOM 0 H CYS A 259 -6.073 2.171 5.960 1.00 0.00 H new ATOM 0 HA CYS A 259 -8.403 0.668 5.625 1.00 0.00 H new ATOM 0 HB2 CYS A 259 -6.495 0.653 7.406 1.00 0.00 H new ATOM 0 HB3 CYS A 259 -7.315 2.007 8.158 1.00 0.00 H new ATOM 0 HG CYS A 259 -8.168 -0.299 9.544 1.00 0.00 H new ATOM 277 N SER A 260 -10.469 1.897 6.137 1.00 0.00 N ATOM 278 CA SER A 260 -11.751 2.612 6.245 1.00 0.00 C ATOM 279 C SER A 260 -12.080 3.096 7.669 1.00 0.00 C ATOM 280 O SER A 260 -12.843 4.055 7.826 1.00 0.00 O ATOM 281 CB SER A 260 -12.905 1.742 5.716 1.00 0.00 C ATOM 282 OG SER A 260 -12.993 0.485 6.378 1.00 0.00 O ATOM 0 H SER A 260 -10.581 0.912 5.895 1.00 0.00 H new ATOM 0 HA SER A 260 -11.639 3.505 5.630 1.00 0.00 H new ATOM 0 HB2 SER A 260 -13.845 2.279 5.839 1.00 0.00 H new ATOM 0 HB3 SER A 260 -12.769 1.577 4.647 1.00 0.00 H new ATOM 0 HG SER A 260 -13.741 -0.028 6.007 1.00 0.00 H new ATOM 288 N PHE A 261 -11.511 2.472 8.709 1.00 0.00 N ATOM 289 CA PHE A 261 -11.734 2.864 10.097 1.00 0.00 C ATOM 290 C PHE A 261 -10.897 4.092 10.499 1.00 0.00 C ATOM 291 O PHE A 261 -9.693 4.133 10.222 1.00 0.00 O ATOM 292 CB PHE A 261 -11.445 1.685 11.027 1.00 0.00 C ATOM 293 CG PHE A 261 -12.405 0.524 10.887 1.00 0.00 C ATOM 294 CD1 PHE A 261 -13.719 0.633 11.379 1.00 0.00 C ATOM 295 CD2 PHE A 261 -11.979 -0.671 10.282 1.00 0.00 C ATOM 296 CE1 PHE A 261 -14.605 -0.454 11.259 1.00 0.00 C ATOM 297 CE2 PHE A 261 -12.858 -1.761 10.174 1.00 0.00 C ATOM 298 CZ PHE A 261 -14.174 -1.652 10.657 1.00 0.00 C ATOM 0 H PHE A 261 -10.880 1.677 8.605 1.00 0.00 H new ATOM 0 HA PHE A 261 -12.781 3.150 10.194 1.00 0.00 H new ATOM 0 HB2 PHE A 261 -10.433 1.328 10.836 1.00 0.00 H new ATOM 0 HB3 PHE A 261 -11.469 2.038 12.058 1.00 0.00 H new ATOM 0 HD1 PHE A 261 -14.047 1.549 11.848 1.00 0.00 H new ATOM 0 HD2 PHE A 261 -10.972 -0.751 9.899 1.00 0.00 H new ATOM 0 HE1 PHE A 261 -15.616 -0.369 11.629 1.00 0.00 H new ATOM 0 HE2 PHE A 261 -12.523 -2.682 9.720 1.00 0.00 H new ATOM 0 HZ PHE A 261 -14.854 -2.486 10.566 1.00 0.00 H new ATOM 308 N PRO A 262 -11.505 5.065 11.205 1.00 0.00 N ATOM 309 CA PRO A 262 -10.850 6.300 11.628 1.00 0.00 C ATOM 310 C PRO A 262 -9.828 6.068 12.749 1.00 0.00 C ATOM 311 O PRO A 262 -8.801 6.740 12.797 1.00 0.00 O ATOM 312 CB PRO A 262 -11.997 7.195 12.100 1.00 0.00 C ATOM 313 CG PRO A 262 -13.060 6.219 12.604 1.00 0.00 C ATOM 314 CD PRO A 262 -12.891 5.039 11.656 1.00 0.00 C ATOM 0 HA PRO A 262 -10.274 6.745 10.817 1.00 0.00 H new ATOM 0 HB2 PRO A 262 -11.673 7.872 12.890 1.00 0.00 H new ATOM 0 HB3 PRO A 262 -12.379 7.813 11.287 1.00 0.00 H new ATOM 0 HG2 PRO A 262 -12.891 5.934 13.642 1.00 0.00 H new ATOM 0 HG3 PRO A 262 -14.062 6.645 12.549 1.00 0.00 H new ATOM 0 HD2 PRO A 262 -13.117 4.100 12.161 1.00 0.00 H new ATOM 0 HD3 PRO A 262 -13.575 5.119 10.811 1.00 0.00 H new ATOM 322 N ASN A 263 -10.081 5.082 13.617 1.00 0.00 N ATOM 323 CA ASN A 263 -9.163 4.634 14.673 1.00 0.00 C ATOM 324 C ASN A 263 -7.993 3.768 14.152 1.00 0.00 C ATOM 325 O ASN A 263 -7.087 3.431 14.918 1.00 0.00 O ATOM 326 CB ASN A 263 -9.971 3.907 15.760 1.00 0.00 C ATOM 327 CG ASN A 263 -10.643 2.638 15.242 1.00 0.00 C ATOM 328 OD1 ASN A 263 -11.679 2.691 14.590 1.00 0.00 O ATOM 329 ND2 ASN A 263 -10.073 1.474 15.497 1.00 0.00 N ATOM 0 H ASN A 263 -10.956 4.558 13.605 1.00 0.00 H new ATOM 0 HA ASN A 263 -8.685 5.518 15.096 1.00 0.00 H new ATOM 0 HB2 ASN A 263 -9.311 3.652 16.589 1.00 0.00 H new ATOM 0 HB3 ASN A 263 -10.731 4.581 16.154 1.00 0.00 H new ATOM 0 HD21 ASN A 263 -10.495 0.613 15.151 1.00 0.00 H new ATOM 0 HD22 ASN A 263 -9.211 1.437 16.040 1.00 0.00 H new ATOM 336 N CYS A 264 -8.005 3.428 12.856 1.00 0.00 N ATOM 337 CA CYS A 264 -6.906 2.796 12.130 1.00 0.00 C ATOM 338 C CYS A 264 -6.170 3.875 11.322 1.00 0.00 C ATOM 339 O CYS A 264 -5.122 4.366 11.748 1.00 0.00 O ATOM 340 CB CYS A 264 -7.472 1.668 11.247 1.00 0.00 C ATOM 341 SG CYS A 264 -6.445 0.177 11.280 1.00 0.00 S ATOM 0 H CYS A 264 -8.818 3.595 12.263 1.00 0.00 H new ATOM 0 HA CYS A 264 -6.184 2.342 12.809 1.00 0.00 H new ATOM 0 HB2 CYS A 264 -8.479 1.419 11.583 1.00 0.00 H new ATOM 0 HB3 CYS A 264 -7.557 2.023 10.220 1.00 0.00 H new ATOM 0 HG CYS A 264 -7.196 -0.871 11.111 1.00 0.00 H new ATOM 346 N GLY A 265 -6.722 4.236 10.154 1.00 0.00 N ATOM 347 CA GLY A 265 -6.112 5.147 9.192 1.00 0.00 C ATOM 348 C GLY A 265 -4.787 4.627 8.633 1.00 0.00 C ATOM 349 O GLY A 265 -4.024 5.398 8.054 1.00 0.00 O ATOM 0 H GLY A 265 -7.632 3.888 9.850 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -6.806 5.315 8.369 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -5.944 6.112 9.670 1.00 0.00 H new ATOM 353 N LYS A 266 -4.501 3.334 8.816 1.00 0.00 N ATOM 354 CA LYS A 266 -3.242 2.705 8.427 1.00 0.00 C ATOM 355 C LYS A 266 -3.142 2.521 6.917 1.00 0.00 C ATOM 356 O LYS A 266 -4.127 2.164 6.267 1.00 0.00 O ATOM 357 CB LYS A 266 -3.104 1.343 9.108 1.00 0.00 C ATOM 358 CG LYS A 266 -2.931 1.460 10.616 1.00 0.00 C ATOM 359 CD LYS A 266 -2.781 0.041 11.158 1.00 0.00 C ATOM 360 CE LYS A 266 -2.722 0.033 12.676 1.00 0.00 C ATOM 361 NZ LYS A 266 -4.025 0.413 13.284 1.00 0.00 N ATOM 0 H LYS A 266 -5.156 2.683 9.249 1.00 0.00 H new ATOM 0 HA LYS A 266 -2.437 3.367 8.745 1.00 0.00 H new ATOM 0 HB2 LYS A 266 -3.987 0.742 8.892 1.00 0.00 H new ATOM 0 HB3 LYS A 266 -2.248 0.815 8.687 1.00 0.00 H new ATOM 0 HG2 LYS A 266 -2.054 2.060 10.858 1.00 0.00 H new ATOM 0 HG3 LYS A 266 -3.791 1.956 11.066 1.00 0.00 H new ATOM 0 HD2 LYS A 266 -3.619 -0.570 10.821 1.00 0.00 H new ATOM 0 HD3 LYS A 266 -1.875 -0.411 10.754 1.00 0.00 H new ATOM 0 HE2 LYS A 266 -2.435 -0.960 13.023 1.00 0.00 H new ATOM 0 HE3 LYS A 266 -1.949 0.724 13.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 266 -3.941 1.350 13.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 266 -4.757 0.443 12.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 266 -4.289 -0.288 14.005 1.00 0.00 H new ATOM 375 N TRP A 267 -1.941 2.684 6.372 1.00 0.00 N ATOM 376 CA TRP A 267 -1.638 2.390 4.980 1.00 0.00 C ATOM 377 C TRP A 267 -0.988 1.010 4.866 1.00 0.00 C ATOM 378 O TRP A 267 0.047 0.746 5.482 1.00 0.00 O ATOM 379 CB TRP A 267 -0.758 3.504 4.406 1.00 0.00 C ATOM 380 CG TRP A 267 -1.434 4.834 4.300 1.00 0.00 C ATOM 381 CD1 TRP A 267 -1.486 5.771 5.271 1.00 0.00 C ATOM 382 CD2 TRP A 267 -2.176 5.389 3.173 1.00 0.00 C ATOM 383 NE1 TRP A 267 -2.159 6.884 4.805 1.00 0.00 N ATOM 384 CE2 TRP A 267 -2.598 6.709 3.510 1.00 0.00 C ATOM 385 CE3 TRP A 267 -2.539 4.901 1.902 1.00 0.00 C ATOM 386 CZ2 TRP A 267 -3.308 7.519 2.610 1.00 0.00 C ATOM 387 CZ3 TRP A 267 -3.262 5.698 0.998 1.00 0.00 C ATOM 388 CH2 TRP A 267 -3.626 7.013 1.338 1.00 0.00 C ATOM 0 H TRP A 267 -1.138 3.031 6.897 1.00 0.00 H new ATOM 0 HA TRP A 267 -2.555 2.358 4.392 1.00 0.00 H new ATOM 0 HB2 TRP A 267 0.128 3.609 5.032 1.00 0.00 H new ATOM 0 HB3 TRP A 267 -0.414 3.205 3.416 1.00 0.00 H new ATOM 0 HD1 TRP A 267 -1.066 5.666 6.260 1.00 0.00 H new ATOM 0 HE1 TRP A 267 -2.312 7.731 5.352 1.00 0.00 H new ATOM 0 HE3 TRP A 267 -2.257 3.898 1.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 267 -3.606 8.518 2.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 267 -3.540 5.297 0.034 1.00 0.00 H new ATOM 0 HH2 TRP A 267 -4.148 7.632 0.624 1.00 0.00 H new ATOM 399 N ARG A 268 -1.600 0.140 4.059 1.00 0.00 N ATOM 400 CA ARG A 268 -1.036 -1.148 3.645 1.00 0.00 C ATOM 401 C ARG A 268 -0.686 -1.074 2.153 1.00 0.00 C ATOM 402 O ARG A 268 -1.388 -0.410 1.379 1.00 0.00 O ATOM 403 CB ARG A 268 -2.014 -2.305 3.921 1.00 0.00 C ATOM 404 CG ARG A 268 -2.697 -2.320 5.300 1.00 0.00 C ATOM 405 CD ARG A 268 -1.770 -2.343 6.515 1.00 0.00 C ATOM 406 NE ARG A 268 -2.578 -2.511 7.732 1.00 0.00 N ATOM 407 CZ ARG A 268 -2.141 -2.679 8.967 1.00 0.00 C ATOM 408 NH1 ARG A 268 -0.881 -2.538 9.306 1.00 0.00 N ATOM 409 NH2 ARG A 268 -2.999 -2.984 9.902 1.00 0.00 N ATOM 0 H ARG A 268 -2.524 0.316 3.665 1.00 0.00 H new ATOM 0 HA ARG A 268 -0.136 -1.348 4.226 1.00 0.00 H new ATOM 0 HB2 ARG A 268 -2.791 -2.283 3.157 1.00 0.00 H new ATOM 0 HB3 ARG A 268 -1.473 -3.244 3.799 1.00 0.00 H new ATOM 0 HG2 ARG A 268 -3.337 -1.441 5.374 1.00 0.00 H new ATOM 0 HG3 ARG A 268 -3.348 -3.193 5.350 1.00 0.00 H new ATOM 0 HD2 ARG A 268 -1.052 -3.158 6.425 1.00 0.00 H new ATOM 0 HD3 ARG A 268 -1.197 -1.417 6.569 1.00 0.00 H new ATOM 0 HE ARG A 268 -3.590 -2.496 7.608 1.00 0.00 H new ATOM 0 HH11 ARG A 268 -0.188 -2.287 8.601 1.00 0.00 H new ATOM 0 HH12 ARG A 268 -0.595 -2.679 10.275 1.00 0.00 H new ATOM 0 HH21 ARG A 268 -3.987 -3.089 9.673 1.00 0.00 H new ATOM 0 HH22 ARG A 268 -2.681 -3.118 10.862 1.00 0.00 H new ATOM 423 N ARG A 269 0.411 -1.725 1.768 1.00 0.00 N ATOM 424 CA ARG A 269 0.890 -1.832 0.383 1.00 0.00 C ATOM 425 C ARG A 269 0.258 -3.037 -0.336 1.00 0.00 C ATOM 426 O ARG A 269 -0.152 -4.001 0.313 1.00 0.00 O ATOM 427 CB ARG A 269 2.426 -1.895 0.358 1.00 0.00 C ATOM 428 CG ARG A 269 2.984 -3.089 1.139 1.00 0.00 C ATOM 429 CD ARG A 269 4.513 -3.172 1.105 1.00 0.00 C ATOM 430 NE ARG A 269 4.954 -4.332 1.892 1.00 0.00 N ATOM 431 CZ ARG A 269 4.799 -5.604 1.555 1.00 0.00 C ATOM 432 NH1 ARG A 269 4.489 -5.988 0.333 1.00 0.00 N ATOM 433 NH2 ARG A 269 4.915 -6.540 2.463 1.00 0.00 N ATOM 0 H ARG A 269 1.014 -2.211 2.432 1.00 0.00 H new ATOM 0 HA ARG A 269 0.579 -0.941 -0.162 1.00 0.00 H new ATOM 0 HB2 ARG A 269 2.766 -1.952 -0.676 1.00 0.00 H new ATOM 0 HB3 ARG A 269 2.830 -0.973 0.776 1.00 0.00 H new ATOM 0 HG2 ARG A 269 2.653 -3.023 2.176 1.00 0.00 H new ATOM 0 HG3 ARG A 269 2.568 -4.009 0.729 1.00 0.00 H new ATOM 0 HD2 ARG A 269 4.861 -3.263 0.076 1.00 0.00 H new ATOM 0 HD3 ARG A 269 4.947 -2.258 1.509 1.00 0.00 H new ATOM 0 HE ARG A 269 5.422 -4.141 2.778 1.00 0.00 H new ATOM 0 HH11 ARG A 269 4.358 -5.293 -0.402 1.00 0.00 H new ATOM 0 HH12 ARG A 269 4.380 -6.980 0.122 1.00 0.00 H new ATOM 0 HH21 ARG A 269 5.125 -6.290 3.429 1.00 0.00 H new ATOM 0 HH22 ARG A 269 4.796 -7.519 2.204 1.00 0.00 H new ATOM 447 N LEU A 270 0.210 -2.993 -1.669 1.00 0.00 N ATOM 448 CA LEU A 270 -0.427 -3.994 -2.541 1.00 0.00 C ATOM 449 C LEU A 270 0.506 -4.455 -3.672 1.00 0.00 C ATOM 450 O LEU A 270 1.545 -3.845 -3.933 1.00 0.00 O ATOM 451 CB LEU A 270 -1.713 -3.390 -3.145 1.00 0.00 C ATOM 452 CG LEU A 270 -2.799 -2.955 -2.150 1.00 0.00 C ATOM 453 CD1 LEU A 270 -3.953 -2.366 -2.967 1.00 0.00 C ATOM 454 CD2 LEU A 270 -3.337 -4.103 -1.282 1.00 0.00 C ATOM 0 H LEU A 270 0.630 -2.228 -2.197 1.00 0.00 H new ATOM 0 HA LEU A 270 -0.661 -4.869 -1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -1.434 -2.524 -3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -2.147 -4.123 -3.825 1.00 0.00 H new ATOM 0 HG LEU A 270 -2.357 -2.234 -1.462 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -4.748 -2.044 -2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -3.594 -1.511 -3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -4.340 -3.123 -3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -4.100 -3.720 -0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -3.772 -4.870 -1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -2.521 -4.535 -0.703 1.00 0.00 H new ATOM 529 N PRO A 276 -5.841 0.985 -7.932 1.00 0.00 N ATOM 530 CA PRO A 276 -6.775 1.628 -7.013 1.00 0.00 C ATOM 531 C PRO A 276 -8.123 2.008 -7.650 1.00 0.00 C ATOM 532 O PRO A 276 -9.077 2.267 -6.921 1.00 0.00 O ATOM 533 CB PRO A 276 -6.024 2.828 -6.433 1.00 0.00 C ATOM 534 CG PRO A 276 -4.995 3.168 -7.505 1.00 0.00 C ATOM 535 CD PRO A 276 -4.651 1.809 -8.104 1.00 0.00 C ATOM 0 HA PRO A 276 -7.075 0.932 -6.230 1.00 0.00 H new ATOM 0 HB2 PRO A 276 -6.695 3.666 -6.243 1.00 0.00 H new ATOM 0 HB3 PRO A 276 -5.547 2.581 -5.485 1.00 0.00 H new ATOM 0 HG2 PRO A 276 -5.404 3.846 -8.254 1.00 0.00 H new ATOM 0 HG3 PRO A 276 -4.117 3.654 -7.080 1.00 0.00 H new ATOM 0 HD2 PRO A 276 -4.389 1.902 -9.158 1.00 0.00 H new ATOM 0 HD3 PRO A 276 -3.792 1.366 -7.600 1.00 0.00 H new ATOM 543 N SER A 277 -8.253 1.968 -8.982 1.00 0.00 N ATOM 544 CA SER A 277 -9.533 2.137 -9.684 1.00 0.00 C ATOM 545 C SER A 277 -10.407 0.859 -9.690 1.00 0.00 C ATOM 546 O SER A 277 -11.556 0.920 -10.133 1.00 0.00 O ATOM 547 CB SER A 277 -9.269 2.635 -11.118 1.00 0.00 C ATOM 548 OG SER A 277 -10.428 3.209 -11.716 1.00 0.00 O ATOM 0 H SER A 277 -7.464 1.816 -9.610 1.00 0.00 H new ATOM 0 HA SER A 277 -10.109 2.881 -9.133 1.00 0.00 H new ATOM 0 HB2 SER A 277 -8.468 3.374 -11.101 1.00 0.00 H new ATOM 0 HB3 SER A 277 -8.922 1.803 -11.730 1.00 0.00 H new ATOM 0 HG SER A 277 -11.218 2.684 -11.469 1.00 0.00 H new ATOM 554 N VAL A 278 -9.908 -0.284 -9.185 1.00 0.00 N ATOM 555 CA VAL A 278 -10.670 -1.553 -9.051 1.00 0.00 C ATOM 556 C VAL A 278 -10.770 -2.049 -7.592 1.00 0.00 C ATOM 557 O VAL A 278 -10.961 -3.242 -7.348 1.00 0.00 O ATOM 558 CB VAL A 278 -10.186 -2.664 -10.023 1.00 0.00 C ATOM 559 CG1 VAL A 278 -10.286 -2.207 -11.490 1.00 0.00 C ATOM 560 CG2 VAL A 278 -8.760 -3.172 -9.750 1.00 0.00 C ATOM 0 H VAL A 278 -8.947 -0.360 -8.851 1.00 0.00 H new ATOM 0 HA VAL A 278 -11.687 -1.309 -9.358 1.00 0.00 H new ATOM 0 HB VAL A 278 -10.861 -3.500 -9.840 1.00 0.00 H new ATOM 0 HG11 VAL A 278 -9.940 -3.007 -12.145 1.00 0.00 H new ATOM 0 HG12 VAL A 278 -11.323 -1.967 -11.727 1.00 0.00 H new ATOM 0 HG13 VAL A 278 -9.666 -1.323 -11.639 1.00 0.00 H new ATOM 0 HG21 VAL A 278 -8.504 -3.945 -10.475 1.00 0.00 H new ATOM 0 HG22 VAL A 278 -8.056 -2.345 -9.838 1.00 0.00 H new ATOM 0 HG23 VAL A 278 -8.708 -3.587 -8.743 1.00 0.00 H new ATOM 570 N LEU A 279 -10.659 -1.136 -6.615 1.00 0.00 N ATOM 571 CA LEU A 279 -10.748 -1.431 -5.175 1.00 0.00 C ATOM 572 C LEU A 279 -11.998 -0.800 -4.518 1.00 0.00 C ATOM 573 O LEU A 279 -12.496 0.221 -5.008 1.00 0.00 O ATOM 574 CB LEU A 279 -9.441 -0.990 -4.485 1.00 0.00 C ATOM 575 CG LEU A 279 -8.224 -1.853 -4.875 1.00 0.00 C ATOM 576 CD1 LEU A 279 -6.948 -1.245 -4.291 1.00 0.00 C ATOM 577 CD2 LEU A 279 -8.361 -3.291 -4.340 1.00 0.00 C ATOM 0 H LEU A 279 -10.501 -0.147 -6.808 1.00 0.00 H new ATOM 0 HA LEU A 279 -10.868 -2.507 -5.048 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -9.237 0.050 -4.740 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -9.577 -1.033 -3.404 1.00 0.00 H new ATOM 0 HG LEU A 279 -8.175 -1.879 -5.964 1.00 0.00 H new ATOM 0 HD11 LEU A 279 -6.092 -1.859 -4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 279 -6.814 -0.236 -4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -7.028 -1.206 -3.205 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -7.487 -3.873 -4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -8.435 -3.269 -3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -9.258 -3.750 -4.756 1.00 0.00 H new ATOM 589 N PRO A 280 -12.517 -1.412 -3.431 1.00 0.00 N ATOM 590 CA PRO A 280 -13.782 -1.043 -2.798 1.00 0.00 C ATOM 591 C PRO A 280 -13.678 0.260 -1.998 1.00 0.00 C ATOM 592 O PRO A 280 -12.635 0.579 -1.431 1.00 0.00 O ATOM 593 CB PRO A 280 -14.145 -2.227 -1.892 1.00 0.00 C ATOM 594 CG PRO A 280 -12.799 -2.857 -1.547 1.00 0.00 C ATOM 595 CD PRO A 280 -11.973 -2.607 -2.799 1.00 0.00 C ATOM 0 HA PRO A 280 -14.550 -0.851 -3.547 1.00 0.00 H new ATOM 0 HB2 PRO A 280 -14.672 -1.897 -0.997 1.00 0.00 H new ATOM 0 HB3 PRO A 280 -14.797 -2.935 -2.403 1.00 0.00 H new ATOM 0 HG2 PRO A 280 -12.350 -2.394 -0.668 1.00 0.00 H new ATOM 0 HG3 PRO A 280 -12.895 -3.921 -1.333 1.00 0.00 H new ATOM 0 HD2 PRO A 280 -10.922 -2.466 -2.547 1.00 0.00 H new ATOM 0 HD3 PRO A 280 -12.027 -3.461 -3.475 1.00 0.00 H new ATOM 603 N ASP A 281 -14.796 0.989 -1.905 1.00 0.00 N ATOM 604 CA ASP A 281 -14.910 2.246 -1.146 1.00 0.00 C ATOM 605 C ASP A 281 -14.888 2.053 0.384 1.00 0.00 C ATOM 606 O ASP A 281 -14.754 3.023 1.129 1.00 0.00 O ATOM 607 CB ASP A 281 -16.190 2.984 -1.570 1.00 0.00 C ATOM 608 CG ASP A 281 -16.132 3.472 -3.026 1.00 0.00 C ATOM 609 OD1 ASP A 281 -15.449 4.492 -3.286 1.00 0.00 O ATOM 610 OD2 ASP A 281 -16.785 2.850 -3.897 1.00 0.00 O ATOM 0 H ASP A 281 -15.666 0.719 -2.364 1.00 0.00 H new ATOM 0 HA ASP A 281 -14.028 2.840 -1.385 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -17.046 2.321 -1.446 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -16.349 3.837 -0.910 1.00 0.00 H new ATOM 615 N ASN A 282 -14.964 0.804 0.850 1.00 0.00 N ATOM 616 CA ASN A 282 -14.930 0.394 2.259 1.00 0.00 C ATOM 617 C ASN A 282 -13.773 -0.596 2.526 1.00 0.00 C ATOM 618 O ASN A 282 -13.881 -1.488 3.371 1.00 0.00 O ATOM 619 CB ASN A 282 -16.308 -0.175 2.645 1.00 0.00 C ATOM 620 CG ASN A 282 -17.421 0.864 2.528 1.00 0.00 C ATOM 621 OD1 ASN A 282 -17.450 1.857 3.246 1.00 0.00 O ATOM 622 ND2 ASN A 282 -18.375 0.662 1.634 1.00 0.00 N ATOM 0 H ASN A 282 -15.056 0.006 0.221 1.00 0.00 H new ATOM 0 HA ASN A 282 -14.730 1.258 2.893 1.00 0.00 H new ATOM 0 HB2 ASN A 282 -16.540 -1.025 2.003 1.00 0.00 H new ATOM 0 HB3 ASN A 282 -16.270 -0.549 3.668 1.00 0.00 H new ATOM 0 HD21 ASN A 282 -19.137 1.333 1.541 1.00 0.00 H new ATOM 0 HD22 ASN A 282 -18.348 -0.165 1.038 1.00 0.00 H new ATOM 629 N TRP A 283 -12.669 -0.464 1.777 1.00 0.00 N ATOM 630 CA TRP A 283 -11.432 -1.218 1.994 1.00 0.00 C ATOM 631 C TRP A 283 -10.888 -1.033 3.425 1.00 0.00 C ATOM 632 O TRP A 283 -10.840 0.081 3.942 1.00 0.00 O ATOM 633 CB TRP A 283 -10.382 -0.795 0.957 1.00 0.00 C ATOM 634 CG TRP A 283 -9.193 -1.696 0.952 1.00 0.00 C ATOM 635 CD1 TRP A 283 -9.020 -2.764 0.143 1.00 0.00 C ATOM 636 CD2 TRP A 283 -8.060 -1.695 1.873 1.00 0.00 C ATOM 637 NE1 TRP A 283 -7.882 -3.450 0.524 1.00 0.00 N ATOM 638 CE2 TRP A 283 -7.270 -2.851 1.605 1.00 0.00 C ATOM 639 CE3 TRP A 283 -7.651 -0.864 2.943 1.00 0.00 C ATOM 640 CZ2 TRP A 283 -6.147 -3.172 2.376 1.00 0.00 C ATOM 641 CZ3 TRP A 283 -6.529 -1.182 3.724 1.00 0.00 C ATOM 642 CH2 TRP A 283 -5.788 -2.340 3.445 1.00 0.00 C ATOM 0 H TRP A 283 -12.613 0.182 0.990 1.00 0.00 H new ATOM 0 HA TRP A 283 -11.656 -2.278 1.872 1.00 0.00 H new ATOM 0 HB2 TRP A 283 -10.835 -0.791 -0.034 1.00 0.00 H new ATOM 0 HB3 TRP A 283 -10.060 0.226 1.165 1.00 0.00 H new ATOM 0 HD1 TRP A 283 -9.670 -3.039 -0.675 1.00 0.00 H new ATOM 0 HE1 TRP A 283 -7.538 -4.293 0.064 1.00 0.00 H new ATOM 0 HE3 TRP A 283 -8.213 0.032 3.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 283 -5.563 -4.052 2.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 283 -6.237 -0.536 4.539 1.00 0.00 H new ATOM 0 HH2 TRP A 283 -4.935 -2.592 4.058 1.00 0.00 H new ATOM 653 N SER A 284 -10.428 -2.111 4.050 1.00 0.00 N ATOM 654 CA SER A 284 -9.873 -2.140 5.410 1.00 0.00 C ATOM 655 C SER A 284 -8.697 -3.122 5.489 1.00 0.00 C ATOM 656 O SER A 284 -8.495 -3.912 4.564 1.00 0.00 O ATOM 657 CB SER A 284 -10.964 -2.539 6.416 1.00 0.00 C ATOM 658 OG SER A 284 -11.461 -3.853 6.171 1.00 0.00 O ATOM 0 H SER A 284 -10.429 -3.031 3.609 1.00 0.00 H new ATOM 0 HA SER A 284 -9.509 -1.143 5.659 1.00 0.00 H new ATOM 0 HB2 SER A 284 -10.561 -2.486 7.428 1.00 0.00 H new ATOM 0 HB3 SER A 284 -11.786 -1.825 6.362 1.00 0.00 H new ATOM 0 HG SER A 284 -12.151 -4.070 6.832 1.00 0.00 H new ATOM 664 N CYS A 285 -7.942 -3.120 6.594 1.00 0.00 N ATOM 665 CA CYS A 285 -6.821 -4.047 6.805 1.00 0.00 C ATOM 666 C CYS A 285 -7.208 -5.532 6.568 1.00 0.00 C ATOM 667 O CYS A 285 -6.391 -6.322 6.100 1.00 0.00 O ATOM 668 CB CYS A 285 -6.262 -3.898 8.230 1.00 0.00 C ATOM 669 SG CYS A 285 -5.723 -2.213 8.631 1.00 0.00 S ATOM 0 H CYS A 285 -8.091 -2.474 7.370 1.00 0.00 H new ATOM 0 HA CYS A 285 -6.063 -3.780 6.068 1.00 0.00 H new ATOM 0 HB2 CYS A 285 -7.026 -4.205 8.944 1.00 0.00 H new ATOM 0 HB3 CYS A 285 -5.419 -4.578 8.353 1.00 0.00 H new ATOM 0 HG CYS A 285 -6.734 -1.401 8.539 1.00 0.00 H new ATOM 674 N ASP A 286 -8.463 -5.910 6.843 1.00 0.00 N ATOM 675 CA ASP A 286 -9.023 -7.253 6.607 1.00 0.00 C ATOM 676 C ASP A 286 -9.102 -7.641 5.112 1.00 0.00 C ATOM 677 O ASP A 286 -9.252 -8.816 4.776 1.00 0.00 O ATOM 678 CB ASP A 286 -10.409 -7.313 7.269 1.00 0.00 C ATOM 679 CG ASP A 286 -11.030 -8.719 7.250 1.00 0.00 C ATOM 680 OD1 ASP A 286 -10.513 -9.615 7.960 1.00 0.00 O ATOM 681 OD2 ASP A 286 -12.059 -8.914 6.559 1.00 0.00 O ATOM 0 H ASP A 286 -9.143 -5.268 7.251 1.00 0.00 H new ATOM 0 HA ASP A 286 -8.348 -7.985 7.050 1.00 0.00 H new ATOM 0 HB2 ASP A 286 -10.326 -6.974 8.301 1.00 0.00 H new ATOM 0 HB3 ASP A 286 -11.078 -6.620 6.759 1.00 0.00 H new ATOM 686 N GLN A 287 -8.966 -6.664 4.211 1.00 0.00 N ATOM 687 CA GLN A 287 -9.024 -6.799 2.755 1.00 0.00 C ATOM 688 C GLN A 287 -7.622 -6.693 2.108 1.00 0.00 C ATOM 689 O GLN A 287 -7.504 -6.547 0.889 1.00 0.00 O ATOM 690 CB GLN A 287 -10.023 -5.750 2.222 1.00 0.00 C ATOM 691 CG GLN A 287 -11.466 -6.067 2.653 1.00 0.00 C ATOM 692 CD GLN A 287 -12.411 -4.884 2.461 1.00 0.00 C ATOM 693 OE1 GLN A 287 -12.901 -4.610 1.374 1.00 0.00 O ATOM 694 NE2 GLN A 287 -12.697 -4.130 3.502 1.00 0.00 N ATOM 0 H GLN A 287 -8.802 -5.699 4.498 1.00 0.00 H new ATOM 0 HA GLN A 287 -9.377 -7.793 2.481 1.00 0.00 H new ATOM 0 HB2 GLN A 287 -9.743 -4.762 2.588 1.00 0.00 H new ATOM 0 HB3 GLN A 287 -9.968 -5.715 1.134 1.00 0.00 H new ATOM 0 HG2 GLN A 287 -11.834 -6.918 2.079 1.00 0.00 H new ATOM 0 HG3 GLN A 287 -11.471 -6.364 3.702 1.00 0.00 H new ATOM 0 HE21 GLN A 287 -12.296 -4.347 4.414 1.00 0.00 H new ATOM 0 HE22 GLN A 287 -13.320 -3.329 3.396 1.00 0.00 H new ATOM 703 N ASN A 288 -6.550 -6.781 2.907 1.00 0.00 N ATOM 704 CA ASN A 288 -5.161 -6.785 2.435 1.00 0.00 C ATOM 705 C ASN A 288 -4.745 -8.109 1.766 1.00 0.00 C ATOM 706 O ASN A 288 -5.286 -9.177 2.075 1.00 0.00 O ATOM 707 CB ASN A 288 -4.217 -6.457 3.605 1.00 0.00 C ATOM 708 CG ASN A 288 -2.869 -5.935 3.122 1.00 0.00 C ATOM 709 OD1 ASN A 288 -2.796 -5.079 2.254 1.00 0.00 O ATOM 710 ND2 ASN A 288 -1.766 -6.459 3.622 1.00 0.00 N ATOM 0 H ASN A 288 -6.627 -6.853 3.922 1.00 0.00 H new ATOM 0 HA ASN A 288 -5.086 -6.019 1.663 1.00 0.00 H new ATOM 0 HB2 ASN A 288 -4.684 -5.713 4.250 1.00 0.00 H new ATOM 0 HB3 ASN A 288 -4.064 -7.351 4.209 1.00 0.00 H new ATOM 0 HD21 ASN A 288 -0.855 -6.149 3.283 1.00 0.00 H new ATOM 0 HD22 ASN A 288 -1.824 -7.174 4.347 1.00 0.00 H new ATOM 717 N THR A 289 -3.737 -8.040 0.885 1.00 0.00 N ATOM 718 CA THR A 289 -3.167 -9.195 0.171 1.00 0.00 C ATOM 719 C THR A 289 -2.006 -9.846 0.913 1.00 0.00 C ATOM 720 O THR A 289 -1.726 -11.020 0.677 1.00 0.00 O ATOM 721 CB THR A 289 -2.719 -8.789 -1.235 1.00 0.00 C ATOM 722 OG1 THR A 289 -1.869 -7.662 -1.147 1.00 0.00 O ATOM 723 CG2 THR A 289 -3.913 -8.427 -2.116 1.00 0.00 C ATOM 0 H THR A 289 -3.284 -7.159 0.642 1.00 0.00 H new ATOM 0 HA THR A 289 -3.963 -9.937 0.108 1.00 0.00 H new ATOM 0 HB THR A 289 -2.197 -9.636 -1.680 1.00 0.00 H new ATOM 0 HG1 THR A 289 -1.579 -7.400 -2.046 1.00 0.00 H new ATOM 0 HG21 THR A 289 -3.561 -8.143 -3.108 1.00 0.00 H new ATOM 0 HG22 THR A 289 -4.578 -9.287 -2.199 1.00 0.00 H new ATOM 0 HG23 THR A 289 -4.454 -7.592 -1.671 1.00 0.00 H new ATOM 731 N ASP A 290 -1.356 -9.124 1.831 1.00 0.00 N ATOM 732 CA ASP A 290 -0.227 -9.619 2.622 1.00 0.00 C ATOM 733 C ASP A 290 -0.670 -10.001 4.043 1.00 0.00 C ATOM 734 O ASP A 290 -1.110 -9.148 4.818 1.00 0.00 O ATOM 735 CB ASP A 290 0.917 -8.584 2.649 1.00 0.00 C ATOM 736 CG ASP A 290 2.281 -9.223 2.323 1.00 0.00 C ATOM 737 OD1 ASP A 290 2.521 -10.374 2.752 1.00 0.00 O ATOM 738 OD2 ASP A 290 3.109 -8.570 1.644 1.00 0.00 O ATOM 0 H ASP A 290 -1.606 -8.159 2.049 1.00 0.00 H new ATOM 0 HA ASP A 290 0.151 -10.523 2.144 1.00 0.00 H new ATOM 0 HB2 ASP A 290 0.707 -7.792 1.930 1.00 0.00 H new ATOM 0 HB3 ASP A 290 0.961 -8.118 3.633 1.00 0.00 H new ATOM 743 N VAL A 291 -0.528 -11.283 4.388 1.00 0.00 N ATOM 744 CA VAL A 291 -1.006 -11.874 5.661 1.00 0.00 C ATOM 745 C VAL A 291 -0.278 -11.341 6.901 1.00 0.00 C ATOM 746 O VAL A 291 -0.773 -11.462 8.020 1.00 0.00 O ATOM 747 CB VAL A 291 -0.913 -13.419 5.661 1.00 0.00 C ATOM 748 CG1 VAL A 291 -1.755 -14.012 4.524 1.00 0.00 C ATOM 749 CG2 VAL A 291 0.540 -13.921 5.553 1.00 0.00 C ATOM 0 H VAL A 291 -0.068 -11.963 3.783 1.00 0.00 H new ATOM 0 HA VAL A 291 -2.050 -11.567 5.722 1.00 0.00 H new ATOM 0 HB VAL A 291 -1.307 -13.757 6.619 1.00 0.00 H new ATOM 0 HG11 VAL A 291 -1.676 -15.099 4.542 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -2.798 -13.722 4.654 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -1.390 -13.637 3.568 1.00 0.00 H new ATOM 0 HG21 VAL A 291 0.550 -15.011 5.557 1.00 0.00 H new ATOM 0 HG22 VAL A 291 0.982 -13.558 4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 291 1.117 -13.550 6.400 1.00 0.00 H new ATOM 759 N GLN A 292 0.890 -10.731 6.696 1.00 0.00 N ATOM 760 CA GLN A 292 1.687 -10.079 7.734 1.00 0.00 C ATOM 761 C GLN A 292 1.069 -8.767 8.231 1.00 0.00 C ATOM 762 O GLN A 292 1.432 -8.311 9.312 1.00 0.00 O ATOM 763 CB GLN A 292 3.138 -9.890 7.259 1.00 0.00 C ATOM 764 CG GLN A 292 3.313 -9.611 5.762 1.00 0.00 C ATOM 765 CD GLN A 292 4.720 -9.137 5.396 1.00 0.00 C ATOM 766 OE1 GLN A 292 4.931 -8.017 4.955 1.00 0.00 O ATOM 767 NE2 GLN A 292 5.740 -9.957 5.558 1.00 0.00 N ATOM 0 H GLN A 292 1.321 -10.676 5.773 1.00 0.00 H new ATOM 0 HA GLN A 292 1.693 -10.742 8.599 1.00 0.00 H new ATOM 0 HB2 GLN A 292 3.580 -9.065 7.818 1.00 0.00 H new ATOM 0 HB3 GLN A 292 3.704 -10.786 7.512 1.00 0.00 H new ATOM 0 HG2 GLN A 292 3.085 -10.518 5.201 1.00 0.00 H new ATOM 0 HG3 GLN A 292 2.591 -8.855 5.453 1.00 0.00 H new ATOM 0 HE21 GLN A 292 5.586 -10.896 5.925 1.00 0.00 H new ATOM 0 HE22 GLN A 292 6.683 -9.652 5.317 1.00 0.00 H new ATOM 776 N TYR A 293 0.113 -8.191 7.489 1.00 0.00 N ATOM 777 CA TYR A 293 -0.581 -6.941 7.843 1.00 0.00 C ATOM 778 C TYR A 293 -2.084 -6.962 7.493 1.00 0.00 C ATOM 779 O TYR A 293 -2.697 -5.923 7.255 1.00 0.00 O ATOM 780 CB TYR A 293 0.158 -5.740 7.229 1.00 0.00 C ATOM 781 CG TYR A 293 1.582 -5.554 7.719 1.00 0.00 C ATOM 782 CD1 TYR A 293 1.824 -4.768 8.860 1.00 0.00 C ATOM 783 CD2 TYR A 293 2.658 -6.184 7.067 1.00 0.00 C ATOM 784 CE1 TYR A 293 3.133 -4.593 9.342 1.00 0.00 C ATOM 785 CE2 TYR A 293 3.969 -6.029 7.553 1.00 0.00 C ATOM 786 CZ TYR A 293 4.214 -5.224 8.689 1.00 0.00 C ATOM 787 OH TYR A 293 5.483 -5.054 9.156 1.00 0.00 O ATOM 0 H TYR A 293 -0.208 -8.589 6.606 1.00 0.00 H new ATOM 0 HA TYR A 293 -0.553 -6.839 8.928 1.00 0.00 H new ATOM 0 HB2 TYR A 293 0.173 -5.855 6.145 1.00 0.00 H new ATOM 0 HB3 TYR A 293 -0.408 -4.834 7.445 1.00 0.00 H new ATOM 0 HD1 TYR A 293 0.998 -4.295 9.370 1.00 0.00 H new ATOM 0 HD2 TYR A 293 2.477 -6.789 6.191 1.00 0.00 H new ATOM 0 HE1 TYR A 293 3.311 -3.977 10.211 1.00 0.00 H new ATOM 0 HE2 TYR A 293 4.790 -6.526 7.057 1.00 0.00 H new ATOM 0 HH TYR A 293 6.109 -5.557 8.594 1.00 0.00 H new ATOM 797 N ASN A 294 -2.695 -8.153 7.473 1.00 0.00 N ATOM 798 CA ASN A 294 -4.098 -8.361 7.084 1.00 0.00 C ATOM 799 C ASN A 294 -5.121 -8.177 8.231 1.00 0.00 C ATOM 800 O ASN A 294 -6.239 -8.693 8.160 1.00 0.00 O ATOM 801 CB ASN A 294 -4.250 -9.704 6.349 1.00 0.00 C ATOM 802 CG ASN A 294 -4.235 -10.932 7.262 1.00 0.00 C ATOM 803 OD1 ASN A 294 -3.848 -10.885 8.425 1.00 0.00 O ATOM 804 ND2 ASN A 294 -4.667 -12.075 6.757 1.00 0.00 N ATOM 0 H ASN A 294 -2.219 -9.017 7.732 1.00 0.00 H new ATOM 0 HA ASN A 294 -4.353 -7.558 6.392 1.00 0.00 H new ATOM 0 HB2 ASN A 294 -5.186 -9.694 5.790 1.00 0.00 H new ATOM 0 HB3 ASN A 294 -3.445 -9.798 5.621 1.00 0.00 H new ATOM 0 HD21 ASN A 294 -4.678 -12.916 7.334 1.00 0.00 H new ATOM 0 HD22 ASN A 294 -4.989 -12.116 5.790 1.00 0.00 H new ATOM 811 N ARG A 295 -4.735 -7.470 9.303 1.00 0.00 N ATOM 812 CA ARG A 295 -5.559 -7.196 10.486 1.00 0.00 C ATOM 813 C ARG A 295 -5.338 -5.788 11.031 1.00 0.00 C ATOM 814 O ARG A 295 -4.203 -5.338 11.180 1.00 0.00 O ATOM 815 CB ARG A 295 -5.220 -8.201 11.597 1.00 0.00 C ATOM 816 CG ARG A 295 -6.096 -9.456 11.550 1.00 0.00 C ATOM 817 CD ARG A 295 -5.644 -10.421 12.647 1.00 0.00 C ATOM 818 NE ARG A 295 -6.565 -11.563 12.775 1.00 0.00 N ATOM 819 CZ ARG A 295 -6.491 -12.535 13.679 1.00 0.00 C ATOM 820 NH1 ARG A 295 -5.540 -12.575 14.590 1.00 0.00 N ATOM 821 NH2 ARG A 295 -7.388 -13.496 13.678 1.00 0.00 N ATOM 0 H ARG A 295 -3.804 -7.058 9.371 1.00 0.00 H new ATOM 0 HA ARG A 295 -6.600 -7.288 10.178 1.00 0.00 H new ATOM 0 HB2 ARG A 295 -4.173 -8.491 11.511 1.00 0.00 H new ATOM 0 HB3 ARG A 295 -5.338 -7.717 12.567 1.00 0.00 H new ATOM 0 HG2 ARG A 295 -7.143 -9.189 11.691 1.00 0.00 H new ATOM 0 HG3 ARG A 295 -6.018 -9.933 10.573 1.00 0.00 H new ATOM 0 HD2 ARG A 295 -4.641 -10.784 12.423 1.00 0.00 H new ATOM 0 HD3 ARG A 295 -5.586 -9.891 13.598 1.00 0.00 H new ATOM 0 HE ARG A 295 -7.333 -11.613 12.106 1.00 0.00 H new ATOM 0 HH11 ARG A 295 -4.829 -11.844 14.617 1.00 0.00 H new ATOM 0 HH12 ARG A 295 -5.515 -13.337 15.268 1.00 0.00 H new ATOM 0 HH21 ARG A 295 -8.137 -13.494 12.985 1.00 0.00 H new ATOM 0 HH22 ARG A 295 -7.335 -14.244 14.370 1.00 0.00 H new ATOM 835 N CYS A 296 -6.430 -5.156 11.449 1.00 0.00 N ATOM 836 CA CYS A 296 -6.471 -3.845 12.096 1.00 0.00 C ATOM 837 C CYS A 296 -5.730 -3.754 13.447 1.00 0.00 C ATOM 838 O CYS A 296 -5.415 -2.658 13.917 1.00 0.00 O ATOM 839 CB CYS A 296 -7.953 -3.518 12.284 1.00 0.00 C ATOM 840 SG CYS A 296 -8.605 -2.714 10.797 1.00 0.00 S ATOM 0 H CYS A 296 -7.359 -5.564 11.341 1.00 0.00 H new ATOM 0 HA CYS A 296 -5.944 -3.133 11.461 1.00 0.00 H new ATOM 0 HB2 CYS A 296 -8.512 -4.431 12.488 1.00 0.00 H new ATOM 0 HB3 CYS A 296 -8.083 -2.865 13.147 1.00 0.00 H new ATOM 0 HG CYS A 296 -7.625 -2.437 9.988 1.00 0.00 H new ATOM 845 N ASP A 297 -5.421 -4.899 14.057 1.00 0.00 N ATOM 846 CA ASP A 297 -4.713 -5.009 15.333 1.00 0.00 C ATOM 847 C ASP A 297 -3.190 -5.106 15.120 1.00 0.00 C ATOM 848 O ASP A 297 -2.419 -5.180 16.077 1.00 0.00 O ATOM 849 CB ASP A 297 -5.308 -6.209 16.079 1.00 0.00 C ATOM 850 CG ASP A 297 -4.829 -6.322 17.538 1.00 0.00 C ATOM 851 OD1 ASP A 297 -5.085 -5.383 18.329 1.00 0.00 O ATOM 852 OD2 ASP A 297 -4.240 -7.370 17.899 1.00 0.00 O ATOM 0 H ASP A 297 -5.665 -5.807 13.662 1.00 0.00 H new ATOM 0 HA ASP A 297 -4.848 -4.114 15.941 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.395 -6.132 16.066 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -5.047 -7.124 15.547 1.00 0.00 H new ATOM 857 N ILE A 298 -2.752 -5.072 13.854 1.00 0.00 N ATOM 858 CA ILE A 298 -1.347 -5.097 13.449 1.00 0.00 C ATOM 859 C ILE A 298 -0.889 -3.665 13.136 1.00 0.00 C ATOM 860 O ILE A 298 -1.573 -2.973 12.368 1.00 0.00 O ATOM 861 CB ILE A 298 -1.117 -6.031 12.239 1.00 0.00 C ATOM 862 CG1 ILE A 298 -1.661 -7.437 12.561 1.00 0.00 C ATOM 863 CG2 ILE A 298 0.379 -6.087 11.901 1.00 0.00 C ATOM 864 CD1 ILE A 298 -1.450 -8.481 11.457 1.00 0.00 C ATOM 0 H ILE A 298 -3.390 -5.025 13.060 1.00 0.00 H new ATOM 0 HA ILE A 298 -0.752 -5.497 14.270 1.00 0.00 H new ATOM 0 HB ILE A 298 -1.650 -5.643 11.371 1.00 0.00 H new ATOM 0 HG12 ILE A 298 -1.185 -7.794 13.474 1.00 0.00 H new ATOM 0 HG13 ILE A 298 -2.728 -7.359 12.768 1.00 0.00 H new ATOM 0 HG21 ILE A 298 0.535 -6.747 11.047 1.00 0.00 H new ATOM 0 HG22 ILE A 298 0.734 -5.086 11.656 1.00 0.00 H new ATOM 0 HG23 ILE A 298 0.932 -6.468 12.760 1.00 0.00 H new ATOM 0 HD11 ILE A 298 -1.866 -9.437 11.776 1.00 0.00 H new ATOM 0 HD12 ILE A 298 -1.951 -8.153 10.546 1.00 0.00 H new ATOM 0 HD13 ILE A 298 -0.383 -8.596 11.264 1.00 0.00 H new ATOM 876 N PRO A 299 0.262 -3.228 13.677 1.00 0.00 N ATOM 877 CA PRO A 299 0.802 -1.886 13.489 1.00 0.00 C ATOM 878 C PRO A 299 1.136 -1.590 12.023 1.00 0.00 C ATOM 879 O PRO A 299 1.329 -2.499 11.220 1.00 0.00 O ATOM 880 CB PRO A 299 2.047 -1.832 14.379 1.00 0.00 C ATOM 881 CG PRO A 299 2.487 -3.284 14.522 1.00 0.00 C ATOM 882 CD PRO A 299 1.164 -4.037 14.486 1.00 0.00 C ATOM 0 HA PRO A 299 0.073 -1.123 13.761 1.00 0.00 H new ATOM 0 HB2 PRO A 299 2.830 -1.224 13.927 1.00 0.00 H new ATOM 0 HB3 PRO A 299 1.821 -1.390 15.349 1.00 0.00 H new ATOM 0 HG2 PRO A 299 3.149 -3.589 13.711 1.00 0.00 H new ATOM 0 HG3 PRO A 299 3.025 -3.455 15.454 1.00 0.00 H new ATOM 0 HD2 PRO A 299 1.292 -5.029 14.053 1.00 0.00 H new ATOM 0 HD3 PRO A 299 0.767 -4.176 15.492 1.00 0.00 H new ATOM 890 N GLU A 300 1.200 -0.305 11.670 1.00 0.00 N ATOM 891 CA GLU A 300 1.538 0.168 10.333 1.00 0.00 C ATOM 892 C GLU A 300 3.003 -0.173 9.972 1.00 0.00 C ATOM 893 O GLU A 300 3.909 0.011 10.790 1.00 0.00 O ATOM 894 CB GLU A 300 1.278 1.684 10.291 1.00 0.00 C ATOM 895 CG GLU A 300 0.865 2.102 8.885 1.00 0.00 C ATOM 896 CD GLU A 300 0.877 3.622 8.677 1.00 0.00 C ATOM 897 OE1 GLU A 300 1.909 4.280 8.945 1.00 0.00 O ATOM 898 OE2 GLU A 300 -0.158 4.155 8.217 1.00 0.00 O ATOM 0 H GLU A 300 1.013 0.453 12.326 1.00 0.00 H new ATOM 0 HA GLU A 300 0.918 -0.332 9.588 1.00 0.00 H new ATOM 0 HB2 GLU A 300 0.495 1.947 11.002 1.00 0.00 H new ATOM 0 HB3 GLU A 300 2.176 2.224 10.591 1.00 0.00 H new ATOM 0 HG2 GLU A 300 1.537 1.638 8.163 1.00 0.00 H new ATOM 0 HG3 GLU A 300 -0.136 1.722 8.679 1.00 0.00 H new ATOM 1027 N ARG B 2 -9.326 5.799 1.045 1.00 0.00 N ATOM 1028 CA ARG B 2 -8.196 6.536 0.451 1.00 0.00 C ATOM 1029 C ARG B 2 -7.197 5.585 -0.216 1.00 0.00 C ATOM 1030 O ARG B 2 -6.989 4.451 0.228 1.00 0.00 O ATOM 1031 CB ARG B 2 -7.471 7.387 1.507 1.00 0.00 C ATOM 1032 CG ARG B 2 -7.822 8.880 1.487 1.00 0.00 C ATOM 1033 CD ARG B 2 -7.162 9.620 0.316 1.00 0.00 C ATOM 1034 NE ARG B 2 -7.320 11.081 0.441 1.00 0.00 N ATOM 1035 CZ ARG B 2 -8.390 11.807 0.129 1.00 0.00 C ATOM 1036 NH1 ARG B 2 -9.487 11.273 -0.368 1.00 0.00 N ATOM 1037 NH2 ARG B 2 -8.369 13.108 0.321 1.00 0.00 N ATOM 0 HA ARG B 2 -8.611 7.196 -0.310 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -7.702 6.988 2.495 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -6.396 7.280 1.363 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -8.904 8.995 1.423 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -7.508 9.337 2.425 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -6.102 9.370 0.277 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -7.603 9.284 -0.623 1.00 0.00 H new ATOM 0 HE ARG B 2 -6.518 11.593 0.808 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -9.538 10.267 -0.527 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -10.286 11.866 -0.594 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -7.536 13.553 0.707 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -9.185 13.672 0.084 1.00 0.00 H new ATOM 1051 N THR B 3 -6.543 6.109 -1.249 1.00 0.00 N ATOM 1052 CA THR B 3 -5.575 5.437 -2.123 1.00 0.00 C ATOM 1053 C THR B 3 -4.464 6.405 -2.501 1.00 0.00 C ATOM 1054 O THR B 3 -4.680 7.613 -2.619 1.00 0.00 O ATOM 1055 CB THR B 3 -6.246 4.902 -3.399 1.00 0.00 C ATOM 1056 OG1 THR B 3 -7.118 5.874 -3.939 1.00 0.00 O ATOM 1057 CG2 THR B 3 -7.044 3.630 -3.124 1.00 0.00 C ATOM 0 H THR B 3 -6.683 7.082 -1.520 1.00 0.00 H new ATOM 0 HA THR B 3 -5.160 4.591 -1.576 1.00 0.00 H new ATOM 0 HB THR B 3 -5.451 4.673 -4.109 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.537 5.522 -4.752 1.00 0.00 H new ATOM 0 HG21 THR B 3 -7.504 3.282 -4.049 1.00 0.00 H new ATOM 0 HG22 THR B 3 -6.378 2.859 -2.737 1.00 0.00 H new ATOM 0 HG23 THR B 3 -7.821 3.840 -2.389 1.00 0.00 H new