USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 448 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 300 SER OG : rot 54:sc= 0.811 USER MOD Set 1.2: A 303 THR OG1 : rot 180:sc= 0.00838 USER MOD Set 1.3: A 305 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 297 TYR OH : rot 150:sc= 0.943 USER MOD Set 2.2: A 306 SER OG : rot 108:sc= 1.1 USER MOD Set 3.1: A 288 GLN : amide:sc= 0.168 K(o=0.23,f=-0.32) USER MOD Set 3.2: A 291 THR OG1 : rot 137:sc= 0.0635 USER MOD Single : A 258 THR OG1 : rot 180:sc= 0 USER MOD Single : A 260 GLN : amide:sc= -1.9 K(o=-1.9,f=-4.2!) USER MOD Single : A 263 TYR OH : rot 180:sc= 0 USER MOD Single : A 265 TYR OH : rot 150:sc= 0 USER MOD Single : A 266 THR OG1 : rot 180:sc= 0 USER MOD Single : A 268 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 269 ASN : amide:sc= -1.89 X(o=-1.9,f=-1.7) USER MOD Single : A 283 MET CE :methyl -160:sc= -0.108 (180deg=-0.572) USER MOD Single : A 284 SER OG : rot 180:sc= -0.535 USER MOD Single : A 286 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 289 THR OG1 : rot 40:sc= 0.122 USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 292 SER OG : rot 180:sc= 0 USER MOD Single : A 299 THR OG1 : rot 180:sc=-0.00471 USER MOD Single : A 302 THR OG1 : rot 55:sc= 1.13 USER MOD Single : A 312 ASN : amide:sc= -0.374 X(o=-0.37,f=-0.51) USER MOD Single : A 313 TYR OH : rot 180:sc= 0 USER MOD Single : A 315 THR OG1 : rot 180:sc= 0 USER MOD Single : A 316 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0494) USER MOD ----------------------------------------------------------------- ATOM 217 N GLU A 257 5.794 0.985 -3.254 1.00 0.00 N ATOM 218 CA GLU A 257 5.426 1.872 -4.351 1.00 0.00 C ATOM 219 C GLU A 257 4.458 2.952 -3.876 1.00 0.00 C ATOM 220 O GLU A 257 3.898 2.864 -2.783 1.00 0.00 O ATOM 221 CB GLU A 257 4.795 1.074 -5.494 1.00 0.00 C ATOM 222 CG GLU A 257 5.803 0.570 -6.513 1.00 0.00 C ATOM 223 CD GLU A 257 6.788 1.642 -6.938 1.00 0.00 C ATOM 224 OE1 GLU A 257 6.340 2.691 -7.446 1.00 0.00 O ATOM 225 OE2 GLU A 257 8.006 1.432 -6.762 1.00 0.00 O ATOM 0 HA GLU A 257 6.334 2.355 -4.713 1.00 0.00 H new ATOM 0 HB2 GLU A 257 4.256 0.223 -5.078 1.00 0.00 H new ATOM 0 HB3 GLU A 257 4.061 1.700 -6.001 1.00 0.00 H new ATOM 0 HG2 GLU A 257 6.349 -0.274 -6.092 1.00 0.00 H new ATOM 0 HG3 GLU A 257 5.273 0.200 -7.391 1.00 0.00 H new ATOM 232 N THR A 258 4.266 3.974 -4.706 1.00 0.00 N ATOM 233 CA THR A 258 3.369 5.072 -4.371 1.00 0.00 C ATOM 234 C THR A 258 2.422 5.379 -5.525 1.00 0.00 C ATOM 235 O THR A 258 2.855 5.586 -6.659 1.00 0.00 O ATOM 236 CB THR A 258 4.152 6.348 -4.011 1.00 0.00 C ATOM 237 OG1 THR A 258 5.285 6.016 -3.201 1.00 0.00 O ATOM 238 CG2 THR A 258 3.265 7.337 -3.270 1.00 0.00 C ATOM 0 H THR A 258 4.720 4.063 -5.615 1.00 0.00 H new ATOM 0 HA THR A 258 2.790 4.754 -3.504 1.00 0.00 H new ATOM 0 HB THR A 258 4.492 6.812 -4.937 1.00 0.00 H new ATOM 0 HG1 THR A 258 5.778 6.833 -2.978 1.00 0.00 H new ATOM 0 HG21 THR A 258 3.840 8.230 -3.026 1.00 0.00 H new ATOM 0 HG22 THR A 258 2.419 7.611 -3.901 1.00 0.00 H new ATOM 0 HG23 THR A 258 2.899 6.880 -2.351 1.00 0.00 H new ATOM 246 N LEU A 259 1.127 5.408 -5.230 1.00 0.00 N ATOM 247 CA LEU A 259 0.117 5.692 -6.244 1.00 0.00 C ATOM 248 C LEU A 259 -0.846 6.774 -5.766 1.00 0.00 C ATOM 249 O LEU A 259 -1.104 6.904 -4.570 1.00 0.00 O ATOM 250 CB LEU A 259 -0.658 4.419 -6.589 1.00 0.00 C ATOM 251 CG LEU A 259 0.172 3.142 -6.720 1.00 0.00 C ATOM 252 CD1 LEU A 259 -0.727 1.916 -6.694 1.00 0.00 C ATOM 253 CD2 LEU A 259 0.999 3.172 -7.997 1.00 0.00 C ATOM 0 H LEU A 259 0.751 5.238 -4.297 1.00 0.00 H new ATOM 0 HA LEU A 259 0.626 6.054 -7.137 1.00 0.00 H new ATOM 0 HB2 LEU A 259 -1.415 4.259 -5.821 1.00 0.00 H new ATOM 0 HB3 LEU A 259 -1.186 4.583 -7.528 1.00 0.00 H new ATOM 0 HG LEU A 259 0.853 3.086 -5.871 1.00 0.00 H new ATOM 0 HD11 LEU A 259 -0.119 1.017 -6.788 1.00 0.00 H new ATOM 0 HD12 LEU A 259 -1.275 1.886 -5.752 1.00 0.00 H new ATOM 0 HD13 LEU A 259 -1.433 1.965 -7.523 1.00 0.00 H new ATOM 0 HD21 LEU A 259 1.583 2.255 -8.074 1.00 0.00 H new ATOM 0 HD22 LEU A 259 0.336 3.253 -8.858 1.00 0.00 H new ATOM 0 HD23 LEU A 259 1.671 4.030 -7.975 1.00 0.00 H new ATOM 265 N GLN A 260 -1.376 7.546 -6.710 1.00 0.00 N ATOM 266 CA GLN A 260 -2.311 8.615 -6.384 1.00 0.00 C ATOM 267 C GLN A 260 -3.724 8.258 -6.834 1.00 0.00 C ATOM 268 O GLN A 260 -3.925 7.743 -7.934 1.00 0.00 O ATOM 269 CB GLN A 260 -1.870 9.925 -7.040 1.00 0.00 C ATOM 270 CG GLN A 260 -2.610 11.146 -6.519 1.00 0.00 C ATOM 271 CD GLN A 260 -3.870 11.446 -7.308 1.00 0.00 C ATOM 272 OE1 GLN A 260 -4.093 10.884 -8.381 1.00 0.00 O ATOM 273 NE2 GLN A 260 -4.701 12.336 -6.780 1.00 0.00 N ATOM 0 H GLN A 260 -1.174 7.451 -7.705 1.00 0.00 H new ATOM 0 HA GLN A 260 -2.315 8.742 -5.301 1.00 0.00 H new ATOM 0 HB2 GLN A 260 -0.801 10.061 -6.877 1.00 0.00 H new ATOM 0 HB3 GLN A 260 -2.021 9.851 -8.117 1.00 0.00 H new ATOM 0 HG2 GLN A 260 -2.870 10.989 -5.472 1.00 0.00 H new ATOM 0 HG3 GLN A 260 -1.948 12.011 -6.557 1.00 0.00 H new ATOM 0 HE21 GLN A 260 -4.476 12.777 -5.888 1.00 0.00 H new ATOM 0 HE22 GLN A 260 -5.564 12.579 -7.266 1.00 0.00 H new ATOM 282 N VAL A 261 -4.701 8.535 -5.976 1.00 0.00 N ATOM 283 CA VAL A 261 -6.096 8.243 -6.286 1.00 0.00 C ATOM 284 C VAL A 261 -6.630 9.186 -7.358 1.00 0.00 C ATOM 285 O VAL A 261 -6.496 10.406 -7.248 1.00 0.00 O ATOM 286 CB VAL A 261 -6.984 8.353 -5.032 1.00 0.00 C ATOM 287 CG1 VAL A 261 -8.451 8.200 -5.402 1.00 0.00 C ATOM 288 CG2 VAL A 261 -6.575 7.316 -3.997 1.00 0.00 C ATOM 0 H VAL A 261 -4.552 8.961 -5.061 1.00 0.00 H new ATOM 0 HA VAL A 261 -6.130 7.219 -6.658 1.00 0.00 H new ATOM 0 HB VAL A 261 -6.846 9.342 -4.595 1.00 0.00 H new ATOM 0 HG11 VAL A 261 -9.063 8.280 -4.504 1.00 0.00 H new ATOM 0 HG12 VAL A 261 -8.733 8.984 -6.105 1.00 0.00 H new ATOM 0 HG13 VAL A 261 -8.610 7.225 -5.863 1.00 0.00 H new ATOM 0 HG21 VAL A 261 -7.213 7.408 -3.118 1.00 0.00 H new ATOM 0 HG22 VAL A 261 -6.683 6.317 -4.420 1.00 0.00 H new ATOM 0 HG23 VAL A 261 -5.536 7.478 -3.710 1.00 0.00 H new ATOM 298 N ILE A 262 -7.235 8.615 -8.393 1.00 0.00 N ATOM 299 CA ILE A 262 -7.791 9.405 -9.484 1.00 0.00 C ATOM 300 C ILE A 262 -9.306 9.523 -9.361 1.00 0.00 C ATOM 301 O ILE A 262 -9.900 10.506 -9.806 1.00 0.00 O ATOM 302 CB ILE A 262 -7.444 8.794 -10.855 1.00 0.00 C ATOM 303 CG1 ILE A 262 -7.316 7.273 -10.742 1.00 0.00 C ATOM 304 CG2 ILE A 262 -6.158 9.401 -11.396 1.00 0.00 C ATOM 305 CD1 ILE A 262 -7.066 6.588 -12.067 1.00 0.00 C ATOM 0 H ILE A 262 -7.353 7.607 -8.499 1.00 0.00 H new ATOM 0 HA ILE A 262 -7.345 10.397 -9.414 1.00 0.00 H new ATOM 0 HB ILE A 262 -8.251 9.021 -11.552 1.00 0.00 H new ATOM 0 HG12 ILE A 262 -6.500 7.035 -10.059 1.00 0.00 H new ATOM 0 HG13 ILE A 262 -8.228 6.871 -10.301 1.00 0.00 H new ATOM 0 HG21 ILE A 262 -5.927 8.959 -12.365 1.00 0.00 H new ATOM 0 HG22 ILE A 262 -6.283 10.478 -11.509 1.00 0.00 H new ATOM 0 HG23 ILE A 262 -5.341 9.202 -10.702 1.00 0.00 H new ATOM 0 HD11 ILE A 262 -6.986 5.512 -11.911 1.00 0.00 H new ATOM 0 HD12 ILE A 262 -7.893 6.796 -12.746 1.00 0.00 H new ATOM 0 HD13 ILE A 262 -6.138 6.962 -12.500 1.00 0.00 H new ATOM 317 N TYR A 263 -9.925 8.517 -8.754 1.00 0.00 N ATOM 318 CA TYR A 263 -11.372 8.508 -8.572 1.00 0.00 C ATOM 319 C TYR A 263 -11.751 7.839 -7.255 1.00 0.00 C ATOM 320 O TYR A 263 -11.126 6.872 -6.817 1.00 0.00 O ATOM 321 CB TYR A 263 -12.048 7.784 -9.738 1.00 0.00 C ATOM 322 CG TYR A 263 -11.692 8.354 -11.093 1.00 0.00 C ATOM 323 CD1 TYR A 263 -12.405 9.418 -11.630 1.00 0.00 C ATOM 324 CD2 TYR A 263 -10.642 7.828 -11.835 1.00 0.00 C ATOM 325 CE1 TYR A 263 -12.084 9.941 -12.868 1.00 0.00 C ATOM 326 CE2 TYR A 263 -10.312 8.345 -13.073 1.00 0.00 C ATOM 327 CZ TYR A 263 -11.037 9.401 -13.585 1.00 0.00 C ATOM 328 OH TYR A 263 -10.712 9.920 -14.818 1.00 0.00 O ATOM 0 H TYR A 263 -9.448 7.697 -8.380 1.00 0.00 H new ATOM 0 HA TYR A 263 -11.716 9.542 -8.545 1.00 0.00 H new ATOM 0 HB2 TYR A 263 -11.769 6.731 -9.712 1.00 0.00 H new ATOM 0 HB3 TYR A 263 -13.129 7.831 -9.606 1.00 0.00 H new ATOM 0 HD1 TYR A 263 -13.225 9.844 -11.070 1.00 0.00 H new ATOM 0 HD2 TYR A 263 -10.074 7.000 -11.437 1.00 0.00 H new ATOM 0 HE1 TYR A 263 -12.650 10.768 -13.272 1.00 0.00 H new ATOM 0 HE2 TYR A 263 -9.492 7.925 -13.636 1.00 0.00 H new ATOM 0 HH TYR A 263 -9.951 9.428 -15.190 1.00 0.00 H new ATOM 338 N PRO A 264 -12.801 8.364 -6.607 1.00 0.00 N ATOM 339 CA PRO A 264 -13.290 7.834 -5.330 1.00 0.00 C ATOM 340 C PRO A 264 -13.944 6.465 -5.484 1.00 0.00 C ATOM 341 O PRO A 264 -14.447 6.123 -6.554 1.00 0.00 O ATOM 342 CB PRO A 264 -14.322 8.873 -4.886 1.00 0.00 C ATOM 343 CG PRO A 264 -14.782 9.514 -6.150 1.00 0.00 C ATOM 344 CD PRO A 264 -13.593 9.516 -7.070 1.00 0.00 C ATOM 0 HA PRO A 264 -12.482 7.684 -4.614 1.00 0.00 H new ATOM 0 HB2 PRO A 264 -15.151 8.406 -4.355 1.00 0.00 H new ATOM 0 HB3 PRO A 264 -13.881 9.605 -4.209 1.00 0.00 H new ATOM 0 HG2 PRO A 264 -15.613 8.961 -6.588 1.00 0.00 H new ATOM 0 HG3 PRO A 264 -15.135 10.529 -5.967 1.00 0.00 H new ATOM 0 HD2 PRO A 264 -13.891 9.405 -8.112 1.00 0.00 H new ATOM 0 HD3 PRO A 264 -13.030 10.446 -6.997 1.00 0.00 H new ATOM 352 N TYR A 265 -13.934 5.686 -4.408 1.00 0.00 N ATOM 353 CA TYR A 265 -14.526 4.353 -4.424 1.00 0.00 C ATOM 354 C TYR A 265 -15.099 3.995 -3.057 1.00 0.00 C ATOM 355 O TYR A 265 -14.414 4.088 -2.038 1.00 0.00 O ATOM 356 CB TYR A 265 -13.482 3.314 -4.840 1.00 0.00 C ATOM 357 CG TYR A 265 -13.848 1.900 -4.450 1.00 0.00 C ATOM 358 CD1 TYR A 265 -14.704 1.141 -5.238 1.00 0.00 C ATOM 359 CD2 TYR A 265 -13.337 1.323 -3.293 1.00 0.00 C ATOM 360 CE1 TYR A 265 -15.041 -0.152 -4.886 1.00 0.00 C ATOM 361 CE2 TYR A 265 -13.668 0.031 -2.934 1.00 0.00 C ATOM 362 CZ TYR A 265 -14.520 -0.703 -3.733 1.00 0.00 C ATOM 363 OH TYR A 265 -14.853 -1.990 -3.378 1.00 0.00 O ATOM 0 H TYR A 265 -13.523 5.954 -3.514 1.00 0.00 H new ATOM 0 HA TYR A 265 -15.339 4.353 -5.150 1.00 0.00 H new ATOM 0 HB2 TYR A 265 -13.346 3.360 -5.920 1.00 0.00 H new ATOM 0 HB3 TYR A 265 -12.525 3.571 -4.387 1.00 0.00 H new ATOM 0 HD1 TYR A 265 -15.113 1.569 -6.141 1.00 0.00 H new ATOM 0 HD2 TYR A 265 -12.670 1.894 -2.664 1.00 0.00 H new ATOM 0 HE1 TYR A 265 -15.708 -0.728 -5.510 1.00 0.00 H new ATOM 0 HE2 TYR A 265 -13.262 -0.403 -2.032 1.00 0.00 H new ATOM 0 HH TYR A 265 -14.112 -2.394 -2.881 1.00 0.00 H new ATOM 373 N THR A 266 -16.363 3.584 -3.042 1.00 0.00 N ATOM 374 CA THR A 266 -17.032 3.212 -1.801 1.00 0.00 C ATOM 375 C THR A 266 -16.950 1.708 -1.562 1.00 0.00 C ATOM 376 O THR A 266 -17.589 0.911 -2.249 1.00 0.00 O ATOM 377 CB THR A 266 -18.511 3.639 -1.810 1.00 0.00 C ATOM 378 OG1 THR A 266 -18.631 4.980 -2.296 1.00 0.00 O ATOM 379 CG2 THR A 266 -19.110 3.545 -0.414 1.00 0.00 C ATOM 0 H THR A 266 -16.945 3.500 -3.876 1.00 0.00 H new ATOM 0 HA THR A 266 -16.516 3.734 -0.995 1.00 0.00 H new ATOM 0 HB THR A 266 -19.057 2.964 -2.469 1.00 0.00 H new ATOM 0 HG1 THR A 266 -19.575 5.243 -2.300 1.00 0.00 H new ATOM 0 HG21 THR A 266 -20.156 3.852 -0.445 1.00 0.00 H new ATOM 0 HG22 THR A 266 -19.044 2.517 -0.058 1.00 0.00 H new ATOM 0 HG23 THR A 266 -18.560 4.199 0.263 1.00 0.00 H new ATOM 387 N PRO A 267 -16.146 1.309 -0.565 1.00 0.00 N ATOM 388 CA PRO A 267 -15.964 -0.101 -0.212 1.00 0.00 C ATOM 389 C PRO A 267 -17.212 -0.707 0.421 1.00 0.00 C ATOM 390 O PRO A 267 -18.178 0.000 0.708 1.00 0.00 O ATOM 391 CB PRO A 267 -14.814 -0.068 0.799 1.00 0.00 C ATOM 392 CG PRO A 267 -14.871 1.298 1.392 1.00 0.00 C ATOM 393 CD PRO A 267 -15.355 2.205 0.295 1.00 0.00 C ATOM 0 HA PRO A 267 -15.763 -0.717 -1.088 1.00 0.00 H new ATOM 0 HB2 PRO A 267 -14.936 -0.837 1.562 1.00 0.00 H new ATOM 0 HB3 PRO A 267 -13.855 -0.249 0.314 1.00 0.00 H new ATOM 0 HG2 PRO A 267 -15.547 1.325 2.247 1.00 0.00 H new ATOM 0 HG3 PRO A 267 -13.890 1.609 1.751 1.00 0.00 H new ATOM 0 HD2 PRO A 267 -15.960 3.023 0.687 1.00 0.00 H new ATOM 0 HD3 PRO A 267 -14.525 2.655 -0.250 1.00 0.00 H new ATOM 401 N GLN A 268 -17.184 -2.018 0.636 1.00 0.00 N ATOM 402 CA GLN A 268 -18.314 -2.718 1.235 1.00 0.00 C ATOM 403 C GLN A 268 -17.883 -3.483 2.482 1.00 0.00 C ATOM 404 O GLN A 268 -18.718 -3.937 3.263 1.00 0.00 O ATOM 405 CB GLN A 268 -18.940 -3.680 0.223 1.00 0.00 C ATOM 406 CG GLN A 268 -19.223 -3.043 -1.127 1.00 0.00 C ATOM 407 CD GLN A 268 -20.589 -2.387 -1.188 1.00 0.00 C ATOM 408 OE1 GLN A 268 -21.610 -3.028 -0.941 1.00 0.00 O ATOM 409 NE2 GLN A 268 -20.614 -1.101 -1.519 1.00 0.00 N ATOM 0 H GLN A 268 -16.391 -2.617 0.404 1.00 0.00 H new ATOM 0 HA GLN A 268 -19.056 -1.974 1.526 1.00 0.00 H new ATOM 0 HB2 GLN A 268 -18.273 -4.530 0.082 1.00 0.00 H new ATOM 0 HB3 GLN A 268 -19.871 -4.071 0.633 1.00 0.00 H new ATOM 0 HG2 GLN A 268 -18.457 -2.298 -1.341 1.00 0.00 H new ATOM 0 HG3 GLN A 268 -19.154 -3.803 -1.905 1.00 0.00 H new ATOM 0 HE21 GLN A 268 -19.743 -0.608 -1.716 1.00 0.00 H new ATOM 0 HE22 GLN A 268 -21.504 -0.606 -1.576 1.00 0.00 H new ATOM 418 N ASN A 269 -16.573 -3.621 2.662 1.00 0.00 N ATOM 419 CA ASN A 269 -16.031 -4.331 3.814 1.00 0.00 C ATOM 420 C ASN A 269 -14.553 -4.005 4.008 1.00 0.00 C ATOM 421 O ASN A 269 -13.980 -3.206 3.266 1.00 0.00 O ATOM 422 CB ASN A 269 -16.212 -5.841 3.640 1.00 0.00 C ATOM 423 CG ASN A 269 -17.606 -6.303 4.019 1.00 0.00 C ATOM 424 OD1 ASN A 269 -17.954 -6.359 5.199 1.00 0.00 O ATOM 425 ND2 ASN A 269 -18.411 -6.637 3.017 1.00 0.00 N ATOM 0 H ASN A 269 -15.868 -3.250 2.025 1.00 0.00 H new ATOM 0 HA ASN A 269 -16.577 -4.005 4.700 1.00 0.00 H new ATOM 0 HB2 ASN A 269 -16.012 -6.111 2.603 1.00 0.00 H new ATOM 0 HB3 ASN A 269 -15.479 -6.365 4.253 1.00 0.00 H new ATOM 0 HD21 ASN A 269 -19.361 -6.956 3.210 1.00 0.00 H new ATOM 0 HD22 ASN A 269 -18.080 -6.575 2.054 1.00 0.00 H new ATOM 432 N ASP A 270 -13.942 -4.628 5.010 1.00 0.00 N ATOM 433 CA ASP A 270 -12.530 -4.405 5.301 1.00 0.00 C ATOM 434 C ASP A 270 -11.655 -4.888 4.149 1.00 0.00 C ATOM 435 O ASP A 270 -10.648 -4.263 3.817 1.00 0.00 O ATOM 436 CB ASP A 270 -12.135 -5.121 6.593 1.00 0.00 C ATOM 437 CG ASP A 270 -10.632 -5.208 6.771 1.00 0.00 C ATOM 438 OD1 ASP A 270 -9.997 -6.014 6.060 1.00 0.00 O ATOM 439 OD2 ASP A 270 -10.092 -4.470 7.622 1.00 0.00 O ATOM 0 H ASP A 270 -14.402 -5.291 5.634 1.00 0.00 H new ATOM 0 HA ASP A 270 -12.375 -3.333 5.427 1.00 0.00 H new ATOM 0 HB2 ASP A 270 -12.569 -4.595 7.444 1.00 0.00 H new ATOM 0 HB3 ASP A 270 -12.556 -6.126 6.591 1.00 0.00 H new ATOM 444 N ASP A 271 -12.045 -6.004 3.544 1.00 0.00 N ATOM 445 CA ASP A 271 -11.296 -6.572 2.429 1.00 0.00 C ATOM 446 C ASP A 271 -10.746 -5.471 1.527 1.00 0.00 C ATOM 447 O ASP A 271 -9.614 -5.553 1.051 1.00 0.00 O ATOM 448 CB ASP A 271 -12.185 -7.515 1.617 1.00 0.00 C ATOM 449 CG ASP A 271 -13.247 -8.185 2.467 1.00 0.00 C ATOM 450 OD1 ASP A 271 -14.342 -7.604 2.615 1.00 0.00 O ATOM 451 OD2 ASP A 271 -12.983 -9.290 2.984 1.00 0.00 O ATOM 0 H ASP A 271 -12.876 -6.534 3.807 1.00 0.00 H new ATOM 0 HA ASP A 271 -10.458 -7.136 2.837 1.00 0.00 H new ATOM 0 HB2 ASP A 271 -12.666 -6.955 0.815 1.00 0.00 H new ATOM 0 HB3 ASP A 271 -11.565 -8.278 1.146 1.00 0.00 H new ATOM 456 N GLU A 272 -11.555 -4.441 1.297 1.00 0.00 N ATOM 457 CA GLU A 272 -11.149 -3.325 0.451 1.00 0.00 C ATOM 458 C GLU A 272 -10.890 -2.075 1.287 1.00 0.00 C ATOM 459 O GLU A 272 -11.148 -2.055 2.492 1.00 0.00 O ATOM 460 CB GLU A 272 -12.223 -3.036 -0.600 1.00 0.00 C ATOM 461 CG GLU A 272 -13.582 -2.704 -0.006 1.00 0.00 C ATOM 462 CD GLU A 272 -14.426 -3.939 0.245 1.00 0.00 C ATOM 463 OE1 GLU A 272 -14.179 -4.630 1.255 1.00 0.00 O ATOM 464 OE2 GLU A 272 -15.332 -4.214 -0.569 1.00 0.00 O ATOM 0 H GLU A 272 -12.495 -4.357 1.685 1.00 0.00 H new ATOM 0 HA GLU A 272 -10.223 -3.602 -0.053 1.00 0.00 H new ATOM 0 HB2 GLU A 272 -11.895 -2.204 -1.223 1.00 0.00 H new ATOM 0 HB3 GLU A 272 -12.323 -3.903 -1.253 1.00 0.00 H new ATOM 0 HG2 GLU A 272 -13.443 -2.167 0.932 1.00 0.00 H new ATOM 0 HG3 GLU A 272 -14.116 -2.035 -0.681 1.00 0.00 H new ATOM 471 N LEU A 273 -10.377 -1.034 0.640 1.00 0.00 N ATOM 472 CA LEU A 273 -10.082 0.221 1.323 1.00 0.00 C ATOM 473 C LEU A 273 -10.698 1.402 0.582 1.00 0.00 C ATOM 474 O LEU A 273 -10.772 1.406 -0.647 1.00 0.00 O ATOM 475 CB LEU A 273 -8.569 0.414 1.445 1.00 0.00 C ATOM 476 CG LEU A 273 -8.098 1.828 1.787 1.00 0.00 C ATOM 477 CD1 LEU A 273 -8.037 2.020 3.294 1.00 0.00 C ATOM 478 CD2 LEU A 273 -6.742 2.105 1.156 1.00 0.00 C ATOM 0 H LEU A 273 -10.157 -1.034 -0.356 1.00 0.00 H new ATOM 0 HA LEU A 273 -10.518 0.175 2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 273 -8.197 -0.267 2.211 1.00 0.00 H new ATOM 0 HB3 LEU A 273 -8.108 0.117 0.503 1.00 0.00 H new ATOM 0 HG LEU A 273 -8.817 2.539 1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 273 -7.700 3.032 3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 273 -9.028 1.864 3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 273 -7.340 1.301 3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 273 -6.422 3.116 1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 273 -6.012 1.388 1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 273 -6.818 2.010 0.073 1.00 0.00 H new ATOM 490 N GLU A 274 -11.138 2.404 1.337 1.00 0.00 N ATOM 491 CA GLU A 274 -11.747 3.592 0.750 1.00 0.00 C ATOM 492 C GLU A 274 -10.741 4.350 -0.111 1.00 0.00 C ATOM 493 O GLU A 274 -9.547 4.382 0.191 1.00 0.00 O ATOM 494 CB GLU A 274 -12.290 4.509 1.847 1.00 0.00 C ATOM 495 CG GLU A 274 -13.097 5.682 1.317 1.00 0.00 C ATOM 496 CD GLU A 274 -13.742 6.495 2.423 1.00 0.00 C ATOM 497 OE1 GLU A 274 -14.057 5.912 3.481 1.00 0.00 O ATOM 498 OE2 GLU A 274 -13.930 7.714 2.229 1.00 0.00 O ATOM 0 H GLU A 274 -11.084 2.417 2.355 1.00 0.00 H new ATOM 0 HA GLU A 274 -12.572 3.270 0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 274 -12.916 3.924 2.521 1.00 0.00 H new ATOM 0 HB3 GLU A 274 -11.456 4.890 2.436 1.00 0.00 H new ATOM 0 HG2 GLU A 274 -12.447 6.329 0.728 1.00 0.00 H new ATOM 0 HG3 GLU A 274 -13.871 5.311 0.645 1.00 0.00 H new ATOM 505 N LEU A 275 -11.231 4.960 -1.184 1.00 0.00 N ATOM 506 CA LEU A 275 -10.375 5.719 -2.090 1.00 0.00 C ATOM 507 C LEU A 275 -10.775 7.191 -2.112 1.00 0.00 C ATOM 508 O LEU A 275 -11.912 7.531 -2.439 1.00 0.00 O ATOM 509 CB LEU A 275 -10.452 5.137 -3.503 1.00 0.00 C ATOM 510 CG LEU A 275 -9.948 3.703 -3.666 1.00 0.00 C ATOM 511 CD1 LEU A 275 -9.483 3.459 -5.093 1.00 0.00 C ATOM 512 CD2 LEU A 275 -8.824 3.417 -2.681 1.00 0.00 C ATOM 0 H LEU A 275 -12.216 4.944 -1.448 1.00 0.00 H new ATOM 0 HA LEU A 275 -9.349 5.645 -1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 275 -11.490 5.176 -3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 275 -9.879 5.780 -4.171 1.00 0.00 H new ATOM 0 HG LEU A 275 -10.773 3.023 -3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 275 -9.128 2.433 -5.190 1.00 0.00 H new ATOM 0 HD12 LEU A 275 -10.314 3.621 -5.779 1.00 0.00 H new ATOM 0 HD13 LEU A 275 -8.673 4.147 -5.335 1.00 0.00 H new ATOM 0 HD21 LEU A 275 -8.478 2.392 -2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 275 -7.998 4.105 -2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 275 -9.190 3.549 -1.663 1.00 0.00 H new ATOM 524 N VAL A 276 -9.832 8.060 -1.764 1.00 0.00 N ATOM 525 CA VAL A 276 -10.085 9.496 -1.747 1.00 0.00 C ATOM 526 C VAL A 276 -9.190 10.224 -2.744 1.00 0.00 C ATOM 527 O VAL A 276 -7.986 9.979 -2.829 1.00 0.00 O ATOM 528 CB VAL A 276 -9.859 10.089 -0.343 1.00 0.00 C ATOM 529 CG1 VAL A 276 -10.043 11.599 -0.365 1.00 0.00 C ATOM 530 CG2 VAL A 276 -10.798 9.444 0.665 1.00 0.00 C ATOM 0 H VAL A 276 -8.886 7.795 -1.490 1.00 0.00 H new ATOM 0 HA VAL A 276 -11.128 9.637 -2.030 1.00 0.00 H new ATOM 0 HB VAL A 276 -8.834 9.876 -0.038 1.00 0.00 H new ATOM 0 HG11 VAL A 276 -9.879 12.000 0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 276 -9.326 12.043 -1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 276 -11.056 11.837 -0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 276 -10.625 9.875 1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 276 -11.831 9.624 0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 276 -10.612 8.371 0.700 1.00 0.00 H new ATOM 540 N PRO A 277 -9.789 11.141 -3.518 1.00 0.00 N ATOM 541 CA PRO A 277 -9.065 11.924 -4.523 1.00 0.00 C ATOM 542 C PRO A 277 -8.112 12.935 -3.894 1.00 0.00 C ATOM 543 O PRO A 277 -8.542 13.916 -3.289 1.00 0.00 O ATOM 544 CB PRO A 277 -10.181 12.644 -5.284 1.00 0.00 C ATOM 545 CG PRO A 277 -11.309 12.726 -4.314 1.00 0.00 C ATOM 546 CD PRO A 277 -11.220 11.484 -3.470 1.00 0.00 C ATOM 0 HA PRO A 277 -8.437 11.295 -5.154 1.00 0.00 H new ATOM 0 HB2 PRO A 277 -9.864 13.636 -5.607 1.00 0.00 H new ATOM 0 HB3 PRO A 277 -10.468 12.093 -6.180 1.00 0.00 H new ATOM 0 HG2 PRO A 277 -11.230 13.622 -3.699 1.00 0.00 H new ATOM 0 HG3 PRO A 277 -12.266 12.778 -4.832 1.00 0.00 H new ATOM 0 HD2 PRO A 277 -11.555 11.667 -2.449 1.00 0.00 H new ATOM 0 HD3 PRO A 277 -11.839 10.681 -3.870 1.00 0.00 H new ATOM 554 N GLY A 278 -6.813 12.689 -4.041 1.00 0.00 N ATOM 555 CA GLY A 278 -5.820 13.587 -3.482 1.00 0.00 C ATOM 556 C GLY A 278 -4.946 12.911 -2.444 1.00 0.00 C ATOM 557 O GLY A 278 -4.070 13.543 -1.854 1.00 0.00 O ATOM 0 H GLY A 278 -6.431 11.884 -4.537 1.00 0.00 H new ATOM 0 HA2 GLY A 278 -5.192 13.974 -4.284 1.00 0.00 H new ATOM 0 HA3 GLY A 278 -6.322 14.442 -3.029 1.00 0.00 H new ATOM 561 N ASP A 279 -5.186 11.624 -2.219 1.00 0.00 N ATOM 562 CA ASP A 279 -4.414 10.862 -1.244 1.00 0.00 C ATOM 563 C ASP A 279 -3.449 9.907 -1.941 1.00 0.00 C ATOM 564 O ASP A 279 -3.522 9.711 -3.154 1.00 0.00 O ATOM 565 CB ASP A 279 -5.350 10.078 -0.322 1.00 0.00 C ATOM 566 CG ASP A 279 -4.735 9.815 1.039 1.00 0.00 C ATOM 567 OD1 ASP A 279 -3.771 10.522 1.400 1.00 0.00 O ATOM 568 OD2 ASP A 279 -5.218 8.903 1.742 1.00 0.00 O ATOM 0 H ASP A 279 -5.909 11.087 -2.698 1.00 0.00 H new ATOM 0 HA ASP A 279 -3.833 11.565 -0.647 1.00 0.00 H new ATOM 0 HB2 ASP A 279 -6.280 10.633 -0.196 1.00 0.00 H new ATOM 0 HB3 ASP A 279 -5.606 9.128 -0.791 1.00 0.00 H new ATOM 573 N PHE A 280 -2.546 9.317 -1.166 1.00 0.00 N ATOM 574 CA PHE A 280 -1.565 8.384 -1.708 1.00 0.00 C ATOM 575 C PHE A 280 -1.768 6.985 -1.134 1.00 0.00 C ATOM 576 O PHE A 280 -2.316 6.825 -0.043 1.00 0.00 O ATOM 577 CB PHE A 280 -0.146 8.871 -1.406 1.00 0.00 C ATOM 578 CG PHE A 280 0.382 9.846 -2.419 1.00 0.00 C ATOM 579 CD1 PHE A 280 0.594 9.455 -3.732 1.00 0.00 C ATOM 580 CD2 PHE A 280 0.666 11.154 -2.059 1.00 0.00 C ATOM 581 CE1 PHE A 280 1.080 10.351 -4.665 1.00 0.00 C ATOM 582 CE2 PHE A 280 1.152 12.053 -2.989 1.00 0.00 C ATOM 583 CZ PHE A 280 1.358 11.652 -4.294 1.00 0.00 C ATOM 0 H PHE A 280 -2.473 9.468 -0.160 1.00 0.00 H new ATOM 0 HA PHE A 280 -1.704 8.337 -2.788 1.00 0.00 H new ATOM 0 HB2 PHE A 280 -0.133 9.339 -0.422 1.00 0.00 H new ATOM 0 HB3 PHE A 280 0.522 8.011 -1.359 1.00 0.00 H new ATOM 0 HD1 PHE A 280 0.377 8.439 -4.029 1.00 0.00 H new ATOM 0 HD2 PHE A 280 0.506 11.474 -1.040 1.00 0.00 H new ATOM 0 HE1 PHE A 280 1.242 10.034 -5.685 1.00 0.00 H new ATOM 0 HE2 PHE A 280 1.371 13.069 -2.695 1.00 0.00 H new ATOM 0 HZ PHE A 280 1.736 12.354 -5.023 1.00 0.00 H new ATOM 593 N ILE A 281 -1.323 5.977 -1.877 1.00 0.00 N ATOM 594 CA ILE A 281 -1.456 4.592 -1.442 1.00 0.00 C ATOM 595 C ILE A 281 -0.149 3.830 -1.631 1.00 0.00 C ATOM 596 O ILE A 281 0.386 3.757 -2.737 1.00 0.00 O ATOM 597 CB ILE A 281 -2.576 3.866 -2.209 1.00 0.00 C ATOM 598 CG1 ILE A 281 -3.896 4.629 -2.072 1.00 0.00 C ATOM 599 CG2 ILE A 281 -2.728 2.440 -1.701 1.00 0.00 C ATOM 600 CD1 ILE A 281 -4.414 4.690 -0.652 1.00 0.00 C ATOM 0 H ILE A 281 -0.868 6.093 -2.782 1.00 0.00 H new ATOM 0 HA ILE A 281 -1.710 4.617 -0.382 1.00 0.00 H new ATOM 0 HB ILE A 281 -2.307 3.828 -3.265 1.00 0.00 H new ATOM 0 HG12 ILE A 281 -3.760 5.644 -2.444 1.00 0.00 H new ATOM 0 HG13 ILE A 281 -4.647 4.156 -2.704 1.00 0.00 H new ATOM 0 HG21 ILE A 281 -3.524 1.940 -2.253 1.00 0.00 H new ATOM 0 HG22 ILE A 281 -1.792 1.901 -1.845 1.00 0.00 H new ATOM 0 HG23 ILE A 281 -2.977 2.456 -0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 281 -5.352 5.245 -0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 281 -4.583 3.679 -0.282 1.00 0.00 H new ATOM 0 HD13 ILE A 281 -3.681 5.190 -0.019 1.00 0.00 H new ATOM 612 N PHE A 282 0.360 3.260 -0.543 1.00 0.00 N ATOM 613 CA PHE A 282 1.604 2.501 -0.588 1.00 0.00 C ATOM 614 C PHE A 282 1.338 1.042 -0.947 1.00 0.00 C ATOM 615 O PHE A 282 0.633 0.334 -0.229 1.00 0.00 O ATOM 616 CB PHE A 282 2.326 2.584 0.758 1.00 0.00 C ATOM 617 CG PHE A 282 2.891 3.944 1.053 1.00 0.00 C ATOM 618 CD1 PHE A 282 3.594 4.641 0.085 1.00 0.00 C ATOM 619 CD2 PHE A 282 2.718 4.524 2.300 1.00 0.00 C ATOM 620 CE1 PHE A 282 4.115 5.894 0.353 1.00 0.00 C ATOM 621 CE2 PHE A 282 3.236 5.776 2.573 1.00 0.00 C ATOM 622 CZ PHE A 282 3.936 6.461 1.599 1.00 0.00 C ATOM 0 H PHE A 282 -0.070 3.310 0.380 1.00 0.00 H new ATOM 0 HA PHE A 282 2.239 2.937 -1.360 1.00 0.00 H new ATOM 0 HB2 PHE A 282 1.631 2.308 1.551 1.00 0.00 H new ATOM 0 HB3 PHE A 282 3.134 1.853 0.773 1.00 0.00 H new ATOM 0 HD1 PHE A 282 3.737 4.201 -0.891 1.00 0.00 H new ATOM 0 HD2 PHE A 282 2.173 3.992 3.066 1.00 0.00 H new ATOM 0 HE1 PHE A 282 4.661 6.428 -0.411 1.00 0.00 H new ATOM 0 HE2 PHE A 282 3.093 6.219 3.548 1.00 0.00 H new ATOM 0 HZ PHE A 282 4.343 7.439 1.812 1.00 0.00 H new ATOM 632 N MET A 283 1.908 0.600 -2.063 1.00 0.00 N ATOM 633 CA MET A 283 1.734 -0.775 -2.517 1.00 0.00 C ATOM 634 C MET A 283 2.973 -1.610 -2.211 1.00 0.00 C ATOM 635 O MET A 283 4.101 -1.133 -2.336 1.00 0.00 O ATOM 636 CB MET A 283 1.443 -0.805 -4.019 1.00 0.00 C ATOM 637 CG MET A 283 0.574 -1.978 -4.446 1.00 0.00 C ATOM 638 SD MET A 283 1.388 -3.569 -4.205 1.00 0.00 S ATOM 639 CE MET A 283 2.731 -3.444 -5.383 1.00 0.00 C ATOM 0 H MET A 283 2.494 1.174 -2.669 1.00 0.00 H new ATOM 0 HA MET A 283 0.887 -1.204 -1.981 1.00 0.00 H new ATOM 0 HB2 MET A 283 0.950 0.125 -4.304 1.00 0.00 H new ATOM 0 HB3 MET A 283 2.387 -0.845 -4.563 1.00 0.00 H new ATOM 0 HG2 MET A 283 -0.357 -1.961 -3.879 1.00 0.00 H new ATOM 0 HG3 MET A 283 0.309 -1.865 -5.497 1.00 0.00 H new ATOM 0 HE1 MET A 283 3.104 -4.441 -5.617 1.00 0.00 H new ATOM 0 HE2 MET A 283 2.372 -2.968 -6.295 1.00 0.00 H new ATOM 0 HE3 MET A 283 3.536 -2.847 -4.955 1.00 0.00 H new ATOM 649 N SER A 284 2.755 -2.858 -1.808 1.00 0.00 N ATOM 650 CA SER A 284 3.855 -3.758 -1.480 1.00 0.00 C ATOM 651 C SER A 284 3.633 -5.135 -2.099 1.00 0.00 C ATOM 652 O SER A 284 2.523 -5.666 -2.113 1.00 0.00 O ATOM 653 CB SER A 284 4.001 -3.886 0.038 1.00 0.00 C ATOM 654 OG SER A 284 2.760 -4.204 0.644 1.00 0.00 O ATOM 0 H SER A 284 1.827 -3.269 -1.701 1.00 0.00 H new ATOM 0 HA SER A 284 4.772 -3.337 -1.892 1.00 0.00 H new ATOM 0 HB2 SER A 284 4.733 -4.659 0.272 1.00 0.00 H new ATOM 0 HB3 SER A 284 4.382 -2.952 0.450 1.00 0.00 H new ATOM 0 HG SER A 284 2.880 -4.282 1.614 1.00 0.00 H new ATOM 660 N PRO A 285 4.716 -5.727 -2.624 1.00 0.00 N ATOM 661 CA PRO A 285 4.667 -7.050 -3.255 1.00 0.00 C ATOM 662 C PRO A 285 4.426 -8.165 -2.244 1.00 0.00 C ATOM 663 O PRO A 285 3.998 -9.261 -2.605 1.00 0.00 O ATOM 664 CB PRO A 285 6.053 -7.192 -3.888 1.00 0.00 C ATOM 665 CG PRO A 285 6.933 -6.305 -3.078 1.00 0.00 C ATOM 666 CD PRO A 285 6.071 -5.152 -2.643 1.00 0.00 C ATOM 0 HA PRO A 285 3.847 -7.132 -3.969 1.00 0.00 H new ATOM 0 HB2 PRO A 285 6.398 -8.226 -3.858 1.00 0.00 H new ATOM 0 HB3 PRO A 285 6.043 -6.890 -4.935 1.00 0.00 H new ATOM 0 HG2 PRO A 285 7.337 -6.837 -2.217 1.00 0.00 H new ATOM 0 HG3 PRO A 285 7.783 -5.957 -3.665 1.00 0.00 H new ATOM 0 HD2 PRO A 285 6.363 -4.780 -1.661 1.00 0.00 H new ATOM 0 HD3 PRO A 285 6.142 -4.313 -3.336 1.00 0.00 H new ATOM 674 N MET A 286 4.704 -7.879 -0.976 1.00 0.00 N ATOM 675 CA MET A 286 4.516 -8.858 0.088 1.00 0.00 C ATOM 676 C MET A 286 3.084 -8.822 0.613 1.00 0.00 C ATOM 677 O MET A 286 2.738 -9.544 1.548 1.00 0.00 O ATOM 678 CB MET A 286 5.498 -8.597 1.231 1.00 0.00 C ATOM 679 CG MET A 286 6.956 -8.657 0.806 1.00 0.00 C ATOM 680 SD MET A 286 8.077 -8.889 2.199 1.00 0.00 S ATOM 681 CE MET A 286 8.102 -10.676 2.320 1.00 0.00 C ATOM 0 H MET A 286 5.060 -6.977 -0.661 1.00 0.00 H new ATOM 0 HA MET A 286 4.708 -9.848 -0.326 1.00 0.00 H new ATOM 0 HB2 MET A 286 5.293 -7.615 1.658 1.00 0.00 H new ATOM 0 HB3 MET A 286 5.328 -9.330 2.020 1.00 0.00 H new ATOM 0 HG2 MET A 286 7.090 -9.474 0.097 1.00 0.00 H new ATOM 0 HG3 MET A 286 7.217 -7.736 0.285 1.00 0.00 H new ATOM 0 HE1 MET A 286 8.755 -10.976 3.140 1.00 0.00 H new ATOM 0 HE2 MET A 286 7.093 -11.042 2.507 1.00 0.00 H new ATOM 0 HE3 MET A 286 8.474 -11.099 1.387 1.00 0.00 H new ATOM 691 N GLU A 287 2.257 -7.977 0.006 1.00 0.00 N ATOM 692 CA GLU A 287 0.863 -7.847 0.415 1.00 0.00 C ATOM 693 C GLU A 287 -0.067 -7.914 -0.793 1.00 0.00 C ATOM 694 O GLU A 287 -1.250 -7.592 -0.696 1.00 0.00 O ATOM 695 CB GLU A 287 0.649 -6.530 1.164 1.00 0.00 C ATOM 696 CG GLU A 287 1.375 -6.463 2.497 1.00 0.00 C ATOM 697 CD GLU A 287 0.960 -7.573 3.443 1.00 0.00 C ATOM 698 OE1 GLU A 287 -0.232 -7.944 3.437 1.00 0.00 O ATOM 699 OE2 GLU A 287 1.829 -8.071 4.190 1.00 0.00 O ATOM 0 H GLU A 287 2.527 -7.373 -0.770 1.00 0.00 H new ATOM 0 HA GLU A 287 0.627 -8.678 1.080 1.00 0.00 H new ATOM 0 HB2 GLU A 287 0.985 -5.705 0.535 1.00 0.00 H new ATOM 0 HB3 GLU A 287 -0.418 -6.387 1.334 1.00 0.00 H new ATOM 0 HG2 GLU A 287 2.450 -6.520 2.325 1.00 0.00 H new ATOM 0 HG3 GLU A 287 1.178 -5.499 2.966 1.00 0.00 H new ATOM 706 N GLN A 288 0.479 -8.336 -1.929 1.00 0.00 N ATOM 707 CA GLN A 288 -0.302 -8.444 -3.156 1.00 0.00 C ATOM 708 C GLN A 288 -1.287 -9.605 -3.074 1.00 0.00 C ATOM 709 O GLN A 288 -0.975 -10.729 -3.470 1.00 0.00 O ATOM 710 CB GLN A 288 0.624 -8.631 -4.360 1.00 0.00 C ATOM 711 CG GLN A 288 1.060 -7.323 -5.000 1.00 0.00 C ATOM 712 CD GLN A 288 1.376 -7.472 -6.476 1.00 0.00 C ATOM 713 OE1 GLN A 288 0.806 -6.778 -7.318 1.00 0.00 O ATOM 714 NE2 GLN A 288 2.289 -8.381 -6.797 1.00 0.00 N ATOM 0 H GLN A 288 1.457 -8.608 -2.025 1.00 0.00 H new ATOM 0 HA GLN A 288 -0.867 -7.520 -3.280 1.00 0.00 H new ATOM 0 HB2 GLN A 288 1.509 -9.185 -4.045 1.00 0.00 H new ATOM 0 HB3 GLN A 288 0.116 -9.240 -5.108 1.00 0.00 H new ATOM 0 HG2 GLN A 288 0.272 -6.581 -4.874 1.00 0.00 H new ATOM 0 HG3 GLN A 288 1.940 -6.944 -4.480 1.00 0.00 H new ATOM 0 HE21 GLN A 288 2.737 -8.934 -6.066 1.00 0.00 H new ATOM 0 HE22 GLN A 288 2.543 -8.526 -7.774 1.00 0.00 H new ATOM 723 N THR A 289 -2.479 -9.327 -2.555 1.00 0.00 N ATOM 724 CA THR A 289 -3.510 -10.348 -2.419 1.00 0.00 C ATOM 725 C THR A 289 -4.663 -10.099 -3.386 1.00 0.00 C ATOM 726 O THR A 289 -5.273 -9.030 -3.376 1.00 0.00 O ATOM 727 CB THR A 289 -4.063 -10.400 -0.982 1.00 0.00 C ATOM 728 OG1 THR A 289 -4.409 -9.082 -0.542 1.00 0.00 O ATOM 729 CG2 THR A 289 -3.042 -11.006 -0.031 1.00 0.00 C ATOM 0 H THR A 289 -2.754 -8.403 -2.222 1.00 0.00 H new ATOM 0 HA THR A 289 -3.041 -11.303 -2.655 1.00 0.00 H new ATOM 0 HB THR A 289 -4.954 -11.028 -0.982 1.00 0.00 H new ATOM 0 HG1 THR A 289 -4.824 -8.589 -1.280 1.00 0.00 H new ATOM 0 HG21 THR A 289 -3.455 -11.032 0.977 1.00 0.00 H new ATOM 0 HG22 THR A 289 -2.803 -12.020 -0.352 1.00 0.00 H new ATOM 0 HG23 THR A 289 -2.136 -10.401 -0.036 1.00 0.00 H new ATOM 737 N SER A 290 -4.956 -11.092 -4.218 1.00 0.00 N ATOM 738 CA SER A 290 -6.034 -10.979 -5.194 1.00 0.00 C ATOM 739 C SER A 290 -5.853 -9.738 -6.062 1.00 0.00 C ATOM 740 O SER A 290 -6.818 -9.194 -6.599 1.00 0.00 O ATOM 741 CB SER A 290 -7.389 -10.926 -4.485 1.00 0.00 C ATOM 742 OG SER A 290 -7.516 -11.982 -3.548 1.00 0.00 O ATOM 0 H SER A 290 -4.462 -11.984 -4.236 1.00 0.00 H new ATOM 0 HA SER A 290 -6.002 -11.859 -5.837 1.00 0.00 H new ATOM 0 HB2 SER A 290 -7.499 -9.969 -3.976 1.00 0.00 H new ATOM 0 HB3 SER A 290 -8.191 -10.990 -5.221 1.00 0.00 H new ATOM 0 HG SER A 290 -8.389 -11.925 -3.107 1.00 0.00 H new ATOM 748 N THR A 291 -4.607 -9.293 -6.195 1.00 0.00 N ATOM 749 CA THR A 291 -4.297 -8.116 -6.997 1.00 0.00 C ATOM 750 C THR A 291 -4.042 -8.493 -8.452 1.00 0.00 C ATOM 751 O THR A 291 -4.518 -7.824 -9.369 1.00 0.00 O ATOM 752 CB THR A 291 -3.065 -7.371 -6.447 1.00 0.00 C ATOM 753 OG1 THR A 291 -1.880 -8.136 -6.693 1.00 0.00 O ATOM 754 CG2 THR A 291 -3.210 -7.114 -4.955 1.00 0.00 C ATOM 0 H THR A 291 -3.796 -9.730 -5.757 1.00 0.00 H new ATOM 0 HA THR A 291 -5.165 -7.458 -6.943 1.00 0.00 H new ATOM 0 HB THR A 291 -2.989 -6.411 -6.958 1.00 0.00 H new ATOM 0 HG1 THR A 291 -1.169 -7.543 -7.013 1.00 0.00 H new ATOM 0 HG21 THR A 291 -2.329 -6.587 -4.589 1.00 0.00 H new ATOM 0 HG22 THR A 291 -4.097 -6.506 -4.775 1.00 0.00 H new ATOM 0 HG23 THR A 291 -3.309 -8.064 -4.430 1.00 0.00 H new ATOM 762 N SER A 292 -3.288 -9.568 -8.656 1.00 0.00 N ATOM 763 CA SER A 292 -2.967 -10.032 -10.001 1.00 0.00 C ATOM 764 C SER A 292 -4.207 -10.024 -10.889 1.00 0.00 C ATOM 765 O SER A 292 -4.123 -9.765 -12.089 1.00 0.00 O ATOM 766 CB SER A 292 -2.372 -11.440 -9.949 1.00 0.00 C ATOM 767 OG SER A 292 -1.220 -11.478 -9.124 1.00 0.00 O ATOM 0 H SER A 292 -2.888 -10.134 -7.908 1.00 0.00 H new ATOM 0 HA SER A 292 -2.232 -9.350 -10.428 1.00 0.00 H new ATOM 0 HB2 SER A 292 -3.117 -12.139 -9.570 1.00 0.00 H new ATOM 0 HB3 SER A 292 -2.112 -11.766 -10.956 1.00 0.00 H new ATOM 0 HG SER A 292 -0.860 -12.389 -9.106 1.00 0.00 H new ATOM 773 N GLU A 293 -5.359 -10.310 -10.289 1.00 0.00 N ATOM 774 CA GLU A 293 -6.617 -10.337 -11.025 1.00 0.00 C ATOM 775 C GLU A 293 -6.972 -8.947 -11.546 1.00 0.00 C ATOM 776 O GLU A 293 -7.423 -8.794 -12.681 1.00 0.00 O ATOM 777 CB GLU A 293 -7.744 -10.863 -10.134 1.00 0.00 C ATOM 778 CG GLU A 293 -8.913 -11.446 -10.911 1.00 0.00 C ATOM 779 CD GLU A 293 -10.038 -11.912 -10.009 1.00 0.00 C ATOM 780 OE1 GLU A 293 -9.798 -12.812 -9.177 1.00 0.00 O ATOM 781 OE2 GLU A 293 -11.160 -11.377 -10.134 1.00 0.00 O ATOM 0 H GLU A 293 -5.446 -10.526 -9.296 1.00 0.00 H new ATOM 0 HA GLU A 293 -6.496 -11.006 -11.877 1.00 0.00 H new ATOM 0 HB2 GLU A 293 -7.343 -11.628 -9.469 1.00 0.00 H new ATOM 0 HB3 GLU A 293 -8.106 -10.051 -9.504 1.00 0.00 H new ATOM 0 HG2 GLU A 293 -9.295 -10.696 -11.603 1.00 0.00 H new ATOM 0 HG3 GLU A 293 -8.563 -12.285 -11.512 1.00 0.00 H new ATOM 788 N GLY A 294 -6.767 -7.936 -10.707 1.00 0.00 N ATOM 789 CA GLY A 294 -7.071 -6.573 -11.099 1.00 0.00 C ATOM 790 C GLY A 294 -7.014 -5.607 -9.932 1.00 0.00 C ATOM 791 O GLY A 294 -6.817 -4.407 -10.120 1.00 0.00 O ATOM 0 H GLY A 294 -6.396 -8.037 -9.762 1.00 0.00 H new ATOM 0 HA2 GLY A 294 -6.366 -6.253 -11.866 1.00 0.00 H new ATOM 0 HA3 GLY A 294 -8.065 -6.540 -11.546 1.00 0.00 H new ATOM 795 N TRP A 295 -7.189 -6.131 -8.724 1.00 0.00 N ATOM 796 CA TRP A 295 -7.159 -5.306 -7.522 1.00 0.00 C ATOM 797 C TRP A 295 -5.724 -5.006 -7.104 1.00 0.00 C ATOM 798 O TRP A 295 -4.774 -5.440 -7.756 1.00 0.00 O ATOM 799 CB TRP A 295 -7.901 -6.004 -6.381 1.00 0.00 C ATOM 800 CG TRP A 295 -9.338 -6.290 -6.694 1.00 0.00 C ATOM 801 CD1 TRP A 295 -9.825 -7.332 -7.430 1.00 0.00 C ATOM 802 CD2 TRP A 295 -10.474 -5.522 -6.281 1.00 0.00 C ATOM 803 NE1 TRP A 295 -11.196 -7.259 -7.500 1.00 0.00 N ATOM 804 CE2 TRP A 295 -11.618 -6.158 -6.803 1.00 0.00 C ATOM 805 CE3 TRP A 295 -10.636 -4.362 -5.520 1.00 0.00 C ATOM 806 CZ2 TRP A 295 -12.904 -5.669 -6.588 1.00 0.00 C ATOM 807 CZ3 TRP A 295 -11.913 -3.878 -5.308 1.00 0.00 C ATOM 808 CH2 TRP A 295 -13.033 -4.531 -5.839 1.00 0.00 C ATOM 0 H TRP A 295 -7.353 -7.123 -8.551 1.00 0.00 H new ATOM 0 HA TRP A 295 -7.657 -4.363 -7.746 1.00 0.00 H new ATOM 0 HB2 TRP A 295 -7.394 -6.940 -6.147 1.00 0.00 H new ATOM 0 HB3 TRP A 295 -7.848 -5.381 -5.488 1.00 0.00 H new ATOM 0 HD1 TRP A 295 -9.222 -8.101 -7.890 1.00 0.00 H new ATOM 0 HE1 TRP A 295 -11.801 -7.918 -7.991 1.00 0.00 H new ATOM 0 HE3 TRP A 295 -9.779 -3.853 -5.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 295 -13.769 -6.170 -6.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 295 -12.050 -2.981 -4.723 1.00 0.00 H new ATOM 0 HH2 TRP A 295 -14.018 -4.128 -5.654 1.00 0.00 H new ATOM 819 N ILE A 296 -5.573 -4.263 -6.013 1.00 0.00 N ATOM 820 CA ILE A 296 -4.253 -3.907 -5.508 1.00 0.00 C ATOM 821 C ILE A 296 -4.301 -3.595 -4.016 1.00 0.00 C ATOM 822 O ILE A 296 -5.119 -2.794 -3.564 1.00 0.00 O ATOM 823 CB ILE A 296 -3.673 -2.692 -6.256 1.00 0.00 C ATOM 824 CG1 ILE A 296 -4.782 -1.693 -6.590 1.00 0.00 C ATOM 825 CG2 ILE A 296 -2.959 -3.142 -7.523 1.00 0.00 C ATOM 826 CD1 ILE A 296 -4.284 -0.278 -6.781 1.00 0.00 C ATOM 0 H ILE A 296 -6.349 -3.896 -5.462 1.00 0.00 H new ATOM 0 HA ILE A 296 -3.608 -4.769 -5.676 1.00 0.00 H new ATOM 0 HB ILE A 296 -2.948 -2.198 -5.609 1.00 0.00 H new ATOM 0 HG12 ILE A 296 -5.290 -2.017 -7.499 1.00 0.00 H new ATOM 0 HG13 ILE A 296 -5.523 -1.704 -5.790 1.00 0.00 H new ATOM 0 HG21 ILE A 296 -2.554 -2.272 -8.041 1.00 0.00 H new ATOM 0 HG22 ILE A 296 -2.146 -3.819 -7.261 1.00 0.00 H new ATOM 0 HG23 ILE A 296 -3.665 -3.657 -8.175 1.00 0.00 H new ATOM 0 HD11 ILE A 296 -5.125 0.375 -7.015 1.00 0.00 H new ATOM 0 HD12 ILE A 296 -3.802 0.065 -5.865 1.00 0.00 H new ATOM 0 HD13 ILE A 296 -3.566 -0.253 -7.600 1.00 0.00 H new ATOM 838 N TYR A 297 -3.417 -4.233 -3.256 1.00 0.00 N ATOM 839 CA TYR A 297 -3.359 -4.024 -1.814 1.00 0.00 C ATOM 840 C TYR A 297 -2.411 -2.880 -1.467 1.00 0.00 C ATOM 841 O TYR A 297 -1.201 -2.977 -1.669 1.00 0.00 O ATOM 842 CB TYR A 297 -2.908 -5.305 -1.110 1.00 0.00 C ATOM 843 CG TYR A 297 -3.163 -5.299 0.380 1.00 0.00 C ATOM 844 CD1 TYR A 297 -4.380 -5.725 0.898 1.00 0.00 C ATOM 845 CD2 TYR A 297 -2.187 -4.869 1.270 1.00 0.00 C ATOM 846 CE1 TYR A 297 -4.617 -5.721 2.259 1.00 0.00 C ATOM 847 CE2 TYR A 297 -2.415 -4.863 2.633 1.00 0.00 C ATOM 848 CZ TYR A 297 -3.632 -5.289 3.122 1.00 0.00 C ATOM 849 OH TYR A 297 -3.864 -5.284 4.478 1.00 0.00 O ATOM 0 H TYR A 297 -2.732 -4.898 -3.614 1.00 0.00 H new ATOM 0 HA TYR A 297 -4.359 -3.760 -1.470 1.00 0.00 H new ATOM 0 HB2 TYR A 297 -3.425 -6.155 -1.555 1.00 0.00 H new ATOM 0 HB3 TYR A 297 -1.842 -5.451 -1.287 1.00 0.00 H new ATOM 0 HD1 TYR A 297 -5.154 -6.065 0.225 1.00 0.00 H new ATOM 0 HD2 TYR A 297 -1.233 -4.533 0.890 1.00 0.00 H new ATOM 0 HE1 TYR A 297 -5.569 -6.055 2.645 1.00 0.00 H new ATOM 0 HE2 TYR A 297 -1.645 -4.527 3.311 1.00 0.00 H new ATOM 0 HH TYR A 297 -3.020 -5.428 4.955 1.00 0.00 H new ATOM 859 N GLY A 298 -2.971 -1.794 -0.942 1.00 0.00 N ATOM 860 CA GLY A 298 -2.163 -0.646 -0.574 1.00 0.00 C ATOM 861 C GLY A 298 -2.565 -0.059 0.764 1.00 0.00 C ATOM 862 O GLY A 298 -3.527 -0.511 1.386 1.00 0.00 O ATOM 0 H GLY A 298 -3.970 -1.689 -0.765 1.00 0.00 H new ATOM 0 HA2 GLY A 298 -1.114 -0.941 -0.538 1.00 0.00 H new ATOM 0 HA3 GLY A 298 -2.253 0.120 -1.345 1.00 0.00 H new ATOM 866 N THR A 299 -1.826 0.951 1.212 1.00 0.00 N ATOM 867 CA THR A 299 -2.108 1.599 2.486 1.00 0.00 C ATOM 868 C THR A 299 -2.206 3.111 2.325 1.00 0.00 C ATOM 869 O THR A 299 -1.296 3.748 1.795 1.00 0.00 O ATOM 870 CB THR A 299 -1.026 1.274 3.533 1.00 0.00 C ATOM 871 OG1 THR A 299 -0.951 -0.141 3.739 1.00 0.00 O ATOM 872 CG2 THR A 299 -1.324 1.969 4.853 1.00 0.00 C ATOM 0 H THR A 299 -1.027 1.338 0.710 1.00 0.00 H new ATOM 0 HA THR A 299 -3.066 1.211 2.832 1.00 0.00 H new ATOM 0 HB THR A 299 -0.069 1.636 3.158 1.00 0.00 H new ATOM 0 HG1 THR A 299 -0.259 -0.338 4.405 1.00 0.00 H new ATOM 0 HG21 THR A 299 -0.546 1.725 5.577 1.00 0.00 H new ATOM 0 HG22 THR A 299 -1.350 3.048 4.699 1.00 0.00 H new ATOM 0 HG23 THR A 299 -2.290 1.633 5.231 1.00 0.00 H new ATOM 880 N SER A 300 -3.315 3.681 2.785 1.00 0.00 N ATOM 881 CA SER A 300 -3.532 5.119 2.689 1.00 0.00 C ATOM 882 C SER A 300 -2.474 5.883 3.479 1.00 0.00 C ATOM 883 O SER A 300 -1.876 5.350 4.414 1.00 0.00 O ATOM 884 CB SER A 300 -4.927 5.481 3.202 1.00 0.00 C ATOM 885 OG SER A 300 -5.141 6.881 3.154 1.00 0.00 O ATOM 0 H SER A 300 -4.077 3.168 3.228 1.00 0.00 H new ATOM 0 HA SER A 300 -3.453 5.403 1.640 1.00 0.00 H new ATOM 0 HB2 SER A 300 -5.682 4.974 2.601 1.00 0.00 H new ATOM 0 HB3 SER A 300 -5.044 5.127 4.226 1.00 0.00 H new ATOM 0 HG SER A 300 -4.968 7.207 2.246 1.00 0.00 H new ATOM 891 N LEU A 301 -2.248 7.135 3.095 1.00 0.00 N ATOM 892 CA LEU A 301 -1.261 7.974 3.767 1.00 0.00 C ATOM 893 C LEU A 301 -1.929 8.886 4.791 1.00 0.00 C ATOM 894 O LEU A 301 -1.352 9.192 5.836 1.00 0.00 O ATOM 895 CB LEU A 301 -0.495 8.814 2.743 1.00 0.00 C ATOM 896 CG LEU A 301 0.854 9.368 3.204 1.00 0.00 C ATOM 897 CD1 LEU A 301 1.911 8.275 3.194 1.00 0.00 C ATOM 898 CD2 LEU A 301 1.280 10.533 2.323 1.00 0.00 C ATOM 0 H LEU A 301 -2.734 7.591 2.323 1.00 0.00 H new ATOM 0 HA LEU A 301 -0.561 7.322 4.290 1.00 0.00 H new ATOM 0 HB2 LEU A 301 -0.331 8.206 1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 301 -1.126 9.651 2.444 1.00 0.00 H new ATOM 0 HG LEU A 301 0.747 9.731 4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 301 2.864 8.688 3.525 1.00 0.00 H new ATOM 0 HD12 LEU A 301 1.610 7.472 3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 301 2.017 7.881 2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 301 2.242 10.915 2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 301 1.370 10.195 1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 301 0.533 11.325 2.381 1.00 0.00 H new ATOM 910 N THR A 302 -3.150 9.315 4.487 1.00 0.00 N ATOM 911 CA THR A 302 -3.897 10.190 5.382 1.00 0.00 C ATOM 912 C THR A 302 -4.440 9.419 6.579 1.00 0.00 C ATOM 913 O THR A 302 -4.176 9.771 7.730 1.00 0.00 O ATOM 914 CB THR A 302 -5.069 10.872 4.651 1.00 0.00 C ATOM 915 OG1 THR A 302 -4.573 11.684 3.581 1.00 0.00 O ATOM 916 CG2 THR A 302 -5.881 11.728 5.611 1.00 0.00 C ATOM 0 H THR A 302 -3.642 9.071 3.628 1.00 0.00 H new ATOM 0 HA THR A 302 -3.201 10.953 5.731 1.00 0.00 H new ATOM 0 HB THR A 302 -5.717 10.095 4.246 1.00 0.00 H new ATOM 0 HG1 THR A 302 -4.013 11.139 2.990 1.00 0.00 H new ATOM 0 HG21 THR A 302 -6.703 12.199 5.072 1.00 0.00 H new ATOM 0 HG22 THR A 302 -6.282 11.101 6.408 1.00 0.00 H new ATOM 0 HG23 THR A 302 -5.241 12.498 6.042 1.00 0.00 H new ATOM 924 N THR A 303 -5.199 8.363 6.303 1.00 0.00 N ATOM 925 CA THR A 303 -5.779 7.542 7.358 1.00 0.00 C ATOM 926 C THR A 303 -4.792 6.483 7.836 1.00 0.00 C ATOM 927 O THR A 303 -4.700 6.201 9.030 1.00 0.00 O ATOM 928 CB THR A 303 -7.070 6.847 6.884 1.00 0.00 C ATOM 929 OG1 THR A 303 -6.766 5.898 5.855 1.00 0.00 O ATOM 930 CG2 THR A 303 -8.072 7.865 6.361 1.00 0.00 C ATOM 0 H THR A 303 -5.426 8.056 5.357 1.00 0.00 H new ATOM 0 HA THR A 303 -6.018 8.212 8.184 1.00 0.00 H new ATOM 0 HB THR A 303 -7.512 6.330 7.736 1.00 0.00 H new ATOM 0 HG1 THR A 303 -7.591 5.460 5.560 1.00 0.00 H new ATOM 0 HG21 THR A 303 -8.975 7.351 6.032 1.00 0.00 H new ATOM 0 HG22 THR A 303 -8.324 8.569 7.154 1.00 0.00 H new ATOM 0 HG23 THR A 303 -7.636 8.406 5.521 1.00 0.00 H new ATOM 938 N GLY A 304 -4.055 5.900 6.896 1.00 0.00 N ATOM 939 CA GLY A 304 -3.083 4.879 7.242 1.00 0.00 C ATOM 940 C GLY A 304 -3.670 3.482 7.199 1.00 0.00 C ATOM 941 O GLY A 304 -3.040 2.523 7.646 1.00 0.00 O ATOM 0 H GLY A 304 -4.113 6.116 5.901 1.00 0.00 H new ATOM 0 HA2 GLY A 304 -2.239 4.937 6.554 1.00 0.00 H new ATOM 0 HA3 GLY A 304 -2.694 5.076 8.241 1.00 0.00 H new ATOM 945 N CYS A 305 -4.879 3.367 6.661 1.00 0.00 N ATOM 946 CA CYS A 305 -5.552 2.076 6.563 1.00 0.00 C ATOM 947 C CYS A 305 -5.065 1.299 5.345 1.00 0.00 C ATOM 948 O CYS A 305 -4.619 1.887 4.359 1.00 0.00 O ATOM 949 CB CYS A 305 -7.067 2.273 6.485 1.00 0.00 C ATOM 950 SG CYS A 305 -7.767 3.176 7.886 1.00 0.00 S ATOM 0 H CYS A 305 -5.413 4.151 6.286 1.00 0.00 H new ATOM 0 HA CYS A 305 -5.312 1.500 7.457 1.00 0.00 H new ATOM 0 HB2 CYS A 305 -7.306 2.808 5.566 1.00 0.00 H new ATOM 0 HB3 CYS A 305 -7.547 1.296 6.420 1.00 0.00 H new ATOM 0 HG CYS A 305 -9.052 3.294 7.728 1.00 0.00 H new ATOM 956 N SER A 306 -5.150 -0.025 5.421 1.00 0.00 N ATOM 957 CA SER A 306 -4.712 -0.883 4.326 1.00 0.00 C ATOM 958 C SER A 306 -5.852 -1.778 3.848 1.00 0.00 C ATOM 959 O SER A 306 -6.636 -2.285 4.649 1.00 0.00 O ATOM 960 CB SER A 306 -3.525 -1.742 4.767 1.00 0.00 C ATOM 961 OG SER A 306 -3.935 -2.752 5.673 1.00 0.00 O ATOM 0 H SER A 306 -5.518 -0.527 6.229 1.00 0.00 H new ATOM 0 HA SER A 306 -4.402 -0.245 3.498 1.00 0.00 H new ATOM 0 HB2 SER A 306 -3.059 -2.199 3.894 1.00 0.00 H new ATOM 0 HB3 SER A 306 -2.771 -1.111 5.238 1.00 0.00 H new ATOM 0 HG SER A 306 -3.902 -3.624 5.227 1.00 0.00 H new ATOM 967 N GLY A 307 -5.937 -1.967 2.534 1.00 0.00 N ATOM 968 CA GLY A 307 -6.983 -2.799 1.971 1.00 0.00 C ATOM 969 C GLY A 307 -6.858 -2.949 0.467 1.00 0.00 C ATOM 970 O GLY A 307 -5.951 -2.386 -0.147 1.00 0.00 O ATOM 0 H GLY A 307 -5.300 -1.558 1.850 1.00 0.00 H new ATOM 0 HA2 GLY A 307 -6.949 -3.784 2.435 1.00 0.00 H new ATOM 0 HA3 GLY A 307 -7.955 -2.367 2.211 1.00 0.00 H new ATOM 974 N LEU A 308 -7.769 -3.712 -0.127 1.00 0.00 N ATOM 975 CA LEU A 308 -7.756 -3.937 -1.568 1.00 0.00 C ATOM 976 C LEU A 308 -8.570 -2.869 -2.293 1.00 0.00 C ATOM 977 O LEU A 308 -9.643 -2.474 -1.835 1.00 0.00 O ATOM 978 CB LEU A 308 -8.309 -5.325 -1.893 1.00 0.00 C ATOM 979 CG LEU A 308 -7.289 -6.463 -1.931 1.00 0.00 C ATOM 980 CD1 LEU A 308 -7.992 -7.811 -1.917 1.00 0.00 C ATOM 981 CD2 LEU A 308 -6.396 -6.338 -3.157 1.00 0.00 C ATOM 0 H LEU A 308 -8.526 -4.185 0.367 1.00 0.00 H new ATOM 0 HA LEU A 308 -6.723 -3.876 -1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 308 -9.071 -5.572 -1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 308 -8.807 -5.278 -2.862 1.00 0.00 H new ATOM 0 HG LEU A 308 -6.663 -6.394 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 308 -7.250 -8.609 -1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 308 -8.588 -7.901 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 308 -8.643 -7.891 -2.788 1.00 0.00 H new ATOM 0 HD21 LEU A 308 -5.676 -7.156 -3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 308 -7.007 -6.381 -4.058 1.00 0.00 H new ATOM 0 HD23 LEU A 308 -5.864 -5.387 -3.124 1.00 0.00 H new ATOM 993 N LEU A 309 -8.055 -2.409 -3.428 1.00 0.00 N ATOM 994 CA LEU A 309 -8.735 -1.389 -4.218 1.00 0.00 C ATOM 995 C LEU A 309 -8.540 -1.636 -5.710 1.00 0.00 C ATOM 996 O LEU A 309 -7.586 -2.287 -6.137 1.00 0.00 O ATOM 997 CB LEU A 309 -8.216 0.002 -3.848 1.00 0.00 C ATOM 998 CG LEU A 309 -6.710 0.112 -3.602 1.00 0.00 C ATOM 999 CD1 LEU A 309 -6.251 1.555 -3.743 1.00 0.00 C ATOM 1000 CD2 LEU A 309 -6.353 -0.431 -2.227 1.00 0.00 C ATOM 0 H LEU A 309 -7.169 -2.726 -3.822 1.00 0.00 H new ATOM 0 HA LEU A 309 -9.801 -1.443 -3.995 1.00 0.00 H new ATOM 0 HB2 LEU A 309 -8.485 0.693 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 309 -8.736 0.335 -2.950 1.00 0.00 H new ATOM 0 HG LEU A 309 -6.194 -0.487 -4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 309 -5.177 1.614 -3.565 1.00 0.00 H new ATOM 0 HD12 LEU A 309 -6.472 1.910 -4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 309 -6.774 2.176 -3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 309 -5.278 -0.345 -2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 309 -6.879 0.141 -1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 309 -6.646 -1.479 -2.162 1.00 0.00 H new ATOM 1012 N PRO A 310 -9.464 -1.104 -6.524 1.00 0.00 N ATOM 1013 CA PRO A 310 -9.414 -1.252 -7.982 1.00 0.00 C ATOM 1014 C PRO A 310 -8.268 -0.463 -8.606 1.00 0.00 C ATOM 1015 O PRO A 310 -8.191 0.757 -8.460 1.00 0.00 O ATOM 1016 CB PRO A 310 -10.762 -0.691 -8.442 1.00 0.00 C ATOM 1017 CG PRO A 310 -11.164 0.259 -7.366 1.00 0.00 C ATOM 1018 CD PRO A 310 -10.628 -0.317 -6.084 1.00 0.00 C ATOM 0 HA PRO A 310 -9.243 -2.286 -8.281 1.00 0.00 H new ATOM 0 HB2 PRO A 310 -10.673 -0.185 -9.404 1.00 0.00 H new ATOM 0 HB3 PRO A 310 -11.499 -1.484 -8.566 1.00 0.00 H new ATOM 0 HG2 PRO A 310 -10.754 1.252 -7.549 1.00 0.00 H new ATOM 0 HG3 PRO A 310 -12.248 0.364 -7.323 1.00 0.00 H new ATOM 0 HD2 PRO A 310 -10.342 0.465 -5.381 1.00 0.00 H new ATOM 0 HD3 PRO A 310 -11.369 -0.941 -5.583 1.00 0.00 H new ATOM 1026 N GLU A 311 -7.381 -1.167 -9.301 1.00 0.00 N ATOM 1027 CA GLU A 311 -6.238 -0.530 -9.947 1.00 0.00 C ATOM 1028 C GLU A 311 -6.698 0.530 -10.944 1.00 0.00 C ATOM 1029 O GLU A 311 -5.896 1.319 -11.440 1.00 0.00 O ATOM 1030 CB GLU A 311 -5.378 -1.576 -10.658 1.00 0.00 C ATOM 1031 CG GLU A 311 -5.859 -1.909 -12.061 1.00 0.00 C ATOM 1032 CD GLU A 311 -4.870 -2.762 -12.830 1.00 0.00 C ATOM 1033 OE1 GLU A 311 -4.530 -3.861 -12.345 1.00 0.00 O ATOM 1034 OE2 GLU A 311 -4.436 -2.330 -13.919 1.00 0.00 O ATOM 0 H GLU A 311 -7.431 -2.177 -9.432 1.00 0.00 H new ATOM 0 HA GLU A 311 -5.641 -0.044 -9.175 1.00 0.00 H new ATOM 0 HB2 GLU A 311 -4.351 -1.214 -10.711 1.00 0.00 H new ATOM 0 HB3 GLU A 311 -5.364 -2.488 -10.062 1.00 0.00 H new ATOM 0 HG2 GLU A 311 -6.813 -2.432 -11.999 1.00 0.00 H new ATOM 0 HG3 GLU A 311 -6.038 -0.984 -12.609 1.00 0.00 H new ATOM 1041 N ASN A 312 -7.996 0.540 -11.232 1.00 0.00 N ATOM 1042 CA ASN A 312 -8.563 1.501 -12.171 1.00 0.00 C ATOM 1043 C ASN A 312 -9.076 2.737 -11.439 1.00 0.00 C ATOM 1044 O ASN A 312 -9.898 3.487 -11.966 1.00 0.00 O ATOM 1045 CB ASN A 312 -9.699 0.858 -12.968 1.00 0.00 C ATOM 1046 CG ASN A 312 -9.999 1.605 -14.253 1.00 0.00 C ATOM 1047 OD1 ASN A 312 -10.763 2.571 -14.258 1.00 0.00 O ATOM 1048 ND2 ASN A 312 -9.398 1.160 -15.350 1.00 0.00 N ATOM 0 H ASN A 312 -8.674 -0.106 -10.829 1.00 0.00 H new ATOM 0 HA ASN A 312 -7.775 1.808 -12.859 1.00 0.00 H new ATOM 0 HB2 ASN A 312 -9.436 -0.173 -13.203 1.00 0.00 H new ATOM 0 HB3 ASN A 312 -10.598 0.825 -12.352 1.00 0.00 H new ATOM 0 HD21 ASN A 312 -9.562 1.622 -16.244 1.00 0.00 H new ATOM 0 HD22 ASN A 312 -8.773 0.356 -15.298 1.00 0.00 H new ATOM 1055 N TYR A 313 -8.586 2.944 -10.222 1.00 0.00 N ATOM 1056 CA TYR A 313 -8.996 4.088 -9.416 1.00 0.00 C ATOM 1057 C TYR A 313 -7.782 4.857 -8.905 1.00 0.00 C ATOM 1058 O TYR A 313 -7.920 5.891 -8.250 1.00 0.00 O ATOM 1059 CB TYR A 313 -9.856 3.627 -8.238 1.00 0.00 C ATOM 1060 CG TYR A 313 -11.283 3.304 -8.620 1.00 0.00 C ATOM 1061 CD1 TYR A 313 -11.567 2.300 -9.537 1.00 0.00 C ATOM 1062 CD2 TYR A 313 -12.347 4.003 -8.063 1.00 0.00 C ATOM 1063 CE1 TYR A 313 -12.869 2.001 -9.889 1.00 0.00 C ATOM 1064 CE2 TYR A 313 -13.652 3.710 -8.408 1.00 0.00 C ATOM 1065 CZ TYR A 313 -13.908 2.709 -9.322 1.00 0.00 C ATOM 1066 OH TYR A 313 -15.207 2.415 -9.669 1.00 0.00 O ATOM 0 H TYR A 313 -7.904 2.334 -9.772 1.00 0.00 H new ATOM 0 HA TYR A 313 -9.585 4.753 -10.048 1.00 0.00 H new ATOM 0 HB2 TYR A 313 -9.400 2.744 -7.790 1.00 0.00 H new ATOM 0 HB3 TYR A 313 -9.860 4.406 -7.475 1.00 0.00 H new ATOM 0 HD1 TYR A 313 -10.756 1.743 -9.983 1.00 0.00 H new ATOM 0 HD2 TYR A 313 -12.150 4.789 -7.348 1.00 0.00 H new ATOM 0 HE1 TYR A 313 -13.072 1.217 -10.604 1.00 0.00 H new ATOM 0 HE2 TYR A 313 -14.468 4.262 -7.964 1.00 0.00 H new ATOM 0 HH TYR A 313 -15.818 3.004 -9.179 1.00 0.00 H new ATOM 1076 N ILE A 314 -6.595 4.346 -9.209 1.00 0.00 N ATOM 1077 CA ILE A 314 -5.356 4.984 -8.782 1.00 0.00 C ATOM 1078 C ILE A 314 -4.420 5.215 -9.963 1.00 0.00 C ATOM 1079 O ILE A 314 -4.772 4.941 -11.111 1.00 0.00 O ATOM 1080 CB ILE A 314 -4.625 4.142 -7.719 1.00 0.00 C ATOM 1081 CG1 ILE A 314 -4.432 2.709 -8.218 1.00 0.00 C ATOM 1082 CG2 ILE A 314 -5.400 4.153 -6.410 1.00 0.00 C ATOM 1083 CD1 ILE A 314 -3.194 2.527 -9.069 1.00 0.00 C ATOM 0 H ILE A 314 -6.464 3.491 -9.750 1.00 0.00 H new ATOM 0 HA ILE A 314 -5.631 5.945 -8.346 1.00 0.00 H new ATOM 0 HB ILE A 314 -3.643 4.580 -7.541 1.00 0.00 H new ATOM 0 HG12 ILE A 314 -4.375 2.039 -7.360 1.00 0.00 H new ATOM 0 HG13 ILE A 314 -5.307 2.413 -8.796 1.00 0.00 H new ATOM 0 HG21 ILE A 314 -4.871 3.554 -5.669 1.00 0.00 H new ATOM 0 HG22 ILE A 314 -5.491 5.178 -6.050 1.00 0.00 H new ATOM 0 HG23 ILE A 314 -6.394 3.735 -6.572 1.00 0.00 H new ATOM 0 HD11 ILE A 314 -3.121 1.487 -9.388 1.00 0.00 H new ATOM 0 HD12 ILE A 314 -3.257 3.171 -9.946 1.00 0.00 H new ATOM 0 HD13 ILE A 314 -2.311 2.791 -8.488 1.00 0.00 H new ATOM 1095 N THR A 315 -3.225 5.719 -9.675 1.00 0.00 N ATOM 1096 CA THR A 315 -2.237 5.986 -10.713 1.00 0.00 C ATOM 1097 C THR A 315 -0.832 6.065 -10.128 1.00 0.00 C ATOM 1098 O THR A 315 -0.659 6.210 -8.918 1.00 0.00 O ATOM 1099 CB THR A 315 -2.545 7.299 -11.458 1.00 0.00 C ATOM 1100 OG1 THR A 315 -1.924 7.288 -12.747 1.00 0.00 O ATOM 1101 CG2 THR A 315 -2.055 8.500 -10.663 1.00 0.00 C ATOM 0 H THR A 315 -2.917 5.951 -8.731 1.00 0.00 H new ATOM 0 HA THR A 315 -2.288 5.156 -11.418 1.00 0.00 H new ATOM 0 HB THR A 315 -3.626 7.379 -11.577 1.00 0.00 H new ATOM 0 HG1 THR A 315 -2.126 8.125 -13.215 1.00 0.00 H new ATOM 0 HG21 THR A 315 -2.284 9.415 -11.209 1.00 0.00 H new ATOM 0 HG22 THR A 315 -2.552 8.522 -9.693 1.00 0.00 H new ATOM 0 HG23 THR A 315 -0.978 8.424 -10.516 1.00 0.00 H new ATOM 1109 N LYS A 316 0.171 5.970 -10.994 1.00 0.00 N ATOM 1110 CA LYS A 316 1.563 6.033 -10.564 1.00 0.00 C ATOM 1111 C LYS A 316 1.924 7.438 -10.093 1.00 0.00 C ATOM 1112 O LYS A 316 1.333 8.422 -10.536 1.00 0.00 O ATOM 1113 CB LYS A 316 2.491 5.612 -11.707 1.00 0.00 C ATOM 1114 CG LYS A 316 2.768 4.120 -11.747 1.00 0.00 C ATOM 1115 CD LYS A 316 1.502 3.311 -11.520 1.00 0.00 C ATOM 1116 CE LYS A 316 0.578 3.370 -12.727 1.00 0.00 C ATOM 1117 NZ LYS A 316 1.090 2.547 -13.858 1.00 0.00 N ATOM 0 H LYS A 316 0.046 5.849 -11.999 1.00 0.00 H new ATOM 0 HA LYS A 316 1.691 5.345 -9.728 1.00 0.00 H new ATOM 0 HB2 LYS A 316 2.047 5.916 -12.655 1.00 0.00 H new ATOM 0 HB3 LYS A 316 3.436 6.146 -11.612 1.00 0.00 H new ATOM 0 HG2 LYS A 316 3.202 3.855 -12.711 1.00 0.00 H new ATOM 0 HG3 LYS A 316 3.505 3.865 -10.985 1.00 0.00 H new ATOM 0 HD2 LYS A 316 1.764 2.274 -11.312 1.00 0.00 H new ATOM 0 HD3 LYS A 316 0.979 3.690 -10.642 1.00 0.00 H new ATOM 0 HE2 LYS A 316 -0.414 3.019 -12.442 1.00 0.00 H new ATOM 0 HE3 LYS A 316 0.469 4.405 -13.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 316 0.359 2.475 -14.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 316 1.939 2.995 -14.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 316 1.330 1.595 -13.514 1.00 0.00 H new ATOM 1131 N ALA A 317 2.899 7.523 -9.194 1.00 0.00 N ATOM 1132 CA ALA A 317 3.341 8.807 -8.666 1.00 0.00 C ATOM 1133 C ALA A 317 4.155 9.576 -9.701 1.00 0.00 C ATOM 1134 O ALA A 317 5.348 9.816 -9.514 1.00 0.00 O ATOM 1135 CB ALA A 317 4.155 8.604 -7.396 1.00 0.00 C ATOM 0 H ALA A 317 3.398 6.717 -8.816 1.00 0.00 H new ATOM 0 HA ALA A 317 2.456 9.397 -8.427 1.00 0.00 H new ATOM 0 HB1 ALA A 317 4.479 9.572 -7.013 1.00 0.00 H new ATOM 0 HB2 ALA A 317 3.542 8.104 -6.647 1.00 0.00 H new ATOM 0 HB3 ALA A 317 5.029 7.991 -7.618 1.00 0.00 H new