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 180:sc= 0 USER MOD Set 1.2: A 303 THR OG1 : rot 180:sc= -0.543 USER MOD Set 2.1: A 297 TYR OH : rot -105:sc= 0.187 USER MOD Set 2.2: A 306 SER OG : rot -178:sc= 0.177 USER MOD Set 3.1: A 288 GLN : amide:sc= 0 X(o=-0.35,f=-0.1) USER MOD Set 3.2: A 291 THR OG1 : rot 90:sc= -0.353 USER MOD Single : A 258 THR OG1 : rot 180:sc= 0 USER MOD Single : A 260 GLN : amide:sc= -4.07 K(o=-4.1,f=-5.5!) USER MOD Single : A 263 TYR OH : rot 180:sc= 0 USER MOD Single : A 265 TYR OH : rot 130:sc= -0.0039 USER MOD Single : A 266 THR OG1 : rot 180:sc= 0 USER MOD Single : A 268 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 269 ASN : amide:sc= -1.71 X(o=-1.7,f=-1.6) USER MOD Single : A 283 MET CE :methyl -162:sc= -0.065 (180deg=-0.433) USER MOD Single : A 284 SER OG : rot 180:sc= -0.831 USER MOD Single : A 286 MET CE :methyl 155:sc= -0.152 (180deg=-0.642) USER MOD Single : A 289 THR OG1 : rot 24:sc= 0.407! USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 292 SER OG : rot 180:sc= -0.0179 USER MOD Single : A 299 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 302 THR OG1 : rot -169:sc= -2.08 USER MOD Single : A 305 CYS SG : rot 180:sc= -0.178 USER MOD Single : A 312 ASN : amide:sc= -0.0578 K(o=-0.058,f=-1.6!) USER MOD Single : A 313 TYR OH : rot 180:sc= 0 USER MOD Single : A 315 THR OG1 : rot 180:sc=-0.00595 USER MOD Single : A 316 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 217 N GLU A 257 5.674 0.886 -3.276 1.00 0.00 N ATOM 218 CA GLU A 257 5.367 1.791 -4.377 1.00 0.00 C ATOM 219 C GLU A 257 4.385 2.872 -3.935 1.00 0.00 C ATOM 220 O GLU A 257 3.686 2.721 -2.932 1.00 0.00 O ATOM 221 CB GLU A 257 4.787 1.013 -5.560 1.00 0.00 C ATOM 222 CG GLU A 257 5.835 0.272 -6.373 1.00 0.00 C ATOM 223 CD GLU A 257 6.801 -0.512 -5.505 1.00 0.00 C ATOM 224 OE1 GLU A 257 6.332 -1.301 -4.659 1.00 0.00 O ATOM 225 OE2 GLU A 257 8.026 -0.335 -5.673 1.00 0.00 O ATOM 0 HA GLU A 257 6.295 2.272 -4.687 1.00 0.00 H new ATOM 0 HB2 GLU A 257 4.054 0.297 -5.189 1.00 0.00 H new ATOM 0 HB3 GLU A 257 4.255 1.705 -6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 257 5.338 -0.409 -7.064 1.00 0.00 H new ATOM 0 HG3 GLU A 257 6.394 0.987 -6.977 1.00 0.00 H new ATOM 232 N THR A 258 4.337 3.965 -4.690 1.00 0.00 N ATOM 233 CA THR A 258 3.443 5.072 -4.377 1.00 0.00 C ATOM 234 C THR A 258 2.509 5.373 -5.544 1.00 0.00 C ATOM 235 O THR A 258 2.948 5.491 -6.689 1.00 0.00 O ATOM 236 CB THR A 258 4.230 6.348 -4.023 1.00 0.00 C ATOM 237 OG1 THR A 258 5.383 6.011 -3.243 1.00 0.00 O ATOM 238 CG2 THR A 258 3.358 7.326 -3.251 1.00 0.00 C ATOM 0 H THR A 258 4.908 4.107 -5.523 1.00 0.00 H new ATOM 0 HA THR A 258 2.853 4.766 -3.513 1.00 0.00 H new ATOM 0 HB THR A 258 4.545 6.823 -4.952 1.00 0.00 H new ATOM 0 HG1 THR A 258 5.879 6.827 -3.023 1.00 0.00 H new ATOM 0 HG21 THR A 258 3.936 8.219 -3.013 1.00 0.00 H new ATOM 0 HG22 THR A 258 2.496 7.603 -3.858 1.00 0.00 H new ATOM 0 HG23 THR A 258 3.016 6.858 -2.328 1.00 0.00 H new ATOM 246 N LEU A 259 1.220 5.497 -5.248 1.00 0.00 N ATOM 247 CA LEU A 259 0.224 5.785 -6.273 1.00 0.00 C ATOM 248 C LEU A 259 -0.727 6.886 -5.815 1.00 0.00 C ATOM 249 O LEU A 259 -0.981 7.041 -4.621 1.00 0.00 O ATOM 250 CB LEU A 259 -0.568 4.521 -6.613 1.00 0.00 C ATOM 251 CG LEU A 259 0.250 3.238 -6.768 1.00 0.00 C ATOM 252 CD1 LEU A 259 -0.663 2.022 -6.789 1.00 0.00 C ATOM 253 CD2 LEU A 259 1.096 3.294 -8.032 1.00 0.00 C ATOM 0 H LEU A 259 0.840 5.403 -4.306 1.00 0.00 H new ATOM 0 HA LEU A 259 0.747 6.130 -7.165 1.00 0.00 H new ATOM 0 HB2 LEU A 259 -1.312 4.362 -5.833 1.00 0.00 H new ATOM 0 HB3 LEU A 259 -1.112 4.696 -7.541 1.00 0.00 H new ATOM 0 HG LEU A 259 0.918 3.150 -5.911 1.00 0.00 H new ATOM 0 HD11 LEU A 259 -0.063 1.119 -6.900 1.00 0.00 H new ATOM 0 HD12 LEU A 259 -1.225 1.972 -5.856 1.00 0.00 H new ATOM 0 HD13 LEU A 259 -1.357 2.102 -7.626 1.00 0.00 H new ATOM 0 HD21 LEU A 259 1.671 2.373 -8.126 1.00 0.00 H new ATOM 0 HD22 LEU A 259 0.446 3.406 -8.900 1.00 0.00 H new ATOM 0 HD23 LEU A 259 1.777 4.143 -7.977 1.00 0.00 H new ATOM 265 N GLN A 260 -1.250 7.645 -6.772 1.00 0.00 N ATOM 266 CA GLN A 260 -2.174 8.731 -6.466 1.00 0.00 C ATOM 267 C GLN A 260 -3.591 8.380 -6.906 1.00 0.00 C ATOM 268 O GLN A 260 -3.805 7.887 -8.013 1.00 0.00 O ATOM 269 CB GLN A 260 -1.721 10.023 -7.149 1.00 0.00 C ATOM 270 CG GLN A 260 -2.416 11.267 -6.620 1.00 0.00 C ATOM 271 CD GLN A 260 -3.749 11.522 -7.294 1.00 0.00 C ATOM 272 OE1 GLN A 260 -4.012 11.018 -8.386 1.00 0.00 O ATOM 273 NE2 GLN A 260 -4.601 12.307 -6.644 1.00 0.00 N ATOM 0 H GLN A 260 -1.050 7.528 -7.765 1.00 0.00 H new ATOM 0 HA GLN A 260 -2.174 8.880 -5.386 1.00 0.00 H new ATOM 0 HB2 GLN A 260 -0.645 10.135 -7.018 1.00 0.00 H new ATOM 0 HB3 GLN A 260 -1.905 9.942 -8.220 1.00 0.00 H new ATOM 0 HG2 GLN A 260 -2.570 11.163 -5.546 1.00 0.00 H new ATOM 0 HG3 GLN A 260 -1.768 12.131 -6.767 1.00 0.00 H new ATOM 0 HE21 GLN A 260 -4.342 12.704 -5.741 1.00 0.00 H new ATOM 0 HE22 GLN A 260 -5.515 12.513 -7.048 1.00 0.00 H new ATOM 282 N VAL A 261 -4.558 8.636 -6.030 1.00 0.00 N ATOM 283 CA VAL A 261 -5.956 8.348 -6.328 1.00 0.00 C ATOM 284 C VAL A 261 -6.476 9.246 -7.444 1.00 0.00 C ATOM 285 O VAL A 261 -6.231 10.452 -7.449 1.00 0.00 O ATOM 286 CB VAL A 261 -6.844 8.528 -5.083 1.00 0.00 C ATOM 287 CG1 VAL A 261 -8.302 8.257 -5.422 1.00 0.00 C ATOM 288 CG2 VAL A 261 -6.373 7.620 -3.957 1.00 0.00 C ATOM 0 H VAL A 261 -4.399 9.042 -5.108 1.00 0.00 H new ATOM 0 HA VAL A 261 -6.003 7.308 -6.651 1.00 0.00 H new ATOM 0 HB VAL A 261 -6.760 9.561 -4.746 1.00 0.00 H new ATOM 0 HG11 VAL A 261 -8.914 8.389 -4.530 1.00 0.00 H new ATOM 0 HG12 VAL A 261 -8.631 8.952 -6.194 1.00 0.00 H new ATOM 0 HG13 VAL A 261 -8.407 7.235 -5.786 1.00 0.00 H new ATOM 0 HG21 VAL A 261 -7.012 7.760 -3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 261 -6.425 6.581 -4.282 1.00 0.00 H new ATOM 0 HG23 VAL A 261 -5.344 7.867 -3.696 1.00 0.00 H new ATOM 298 N ILE A 262 -7.197 8.650 -8.388 1.00 0.00 N ATOM 299 CA ILE A 262 -7.753 9.396 -9.510 1.00 0.00 C ATOM 300 C ILE A 262 -9.276 9.434 -9.443 1.00 0.00 C ATOM 301 O ILE A 262 -9.921 10.200 -10.160 1.00 0.00 O ATOM 302 CB ILE A 262 -7.325 8.789 -10.859 1.00 0.00 C ATOM 303 CG1 ILE A 262 -7.191 7.270 -10.740 1.00 0.00 C ATOM 304 CG2 ILE A 262 -6.015 9.407 -11.325 1.00 0.00 C ATOM 305 CD1 ILE A 262 -7.127 6.562 -12.075 1.00 0.00 C ATOM 0 H ILE A 262 -7.410 7.652 -8.398 1.00 0.00 H new ATOM 0 HA ILE A 262 -7.362 10.411 -9.438 1.00 0.00 H new ATOM 0 HB ILE A 262 -8.093 9.010 -11.600 1.00 0.00 H new ATOM 0 HG12 ILE A 262 -6.291 7.036 -10.171 1.00 0.00 H new ATOM 0 HG13 ILE A 262 -8.037 6.882 -10.173 1.00 0.00 H new ATOM 0 HG21 ILE A 262 -5.725 8.968 -12.280 1.00 0.00 H new ATOM 0 HG22 ILE A 262 -6.142 10.483 -11.444 1.00 0.00 H new ATOM 0 HG23 ILE A 262 -5.238 9.213 -10.586 1.00 0.00 H new ATOM 0 HD11 ILE A 262 -7.032 5.488 -11.913 1.00 0.00 H new ATOM 0 HD12 ILE A 262 -8.038 6.765 -12.639 1.00 0.00 H new ATOM 0 HD13 ILE A 262 -6.265 6.922 -12.637 1.00 0.00 H new ATOM 317 N TYR A 263 -9.846 8.604 -8.576 1.00 0.00 N ATOM 318 CA TYR A 263 -11.293 8.542 -8.416 1.00 0.00 C ATOM 319 C TYR A 263 -11.667 7.886 -7.090 1.00 0.00 C ATOM 320 O TYR A 263 -11.022 6.942 -6.631 1.00 0.00 O ATOM 321 CB TYR A 263 -11.923 7.768 -9.575 1.00 0.00 C ATOM 322 CG TYR A 263 -11.634 8.369 -10.932 1.00 0.00 C ATOM 323 CD1 TYR A 263 -12.373 9.445 -11.409 1.00 0.00 C ATOM 324 CD2 TYR A 263 -10.621 7.862 -11.736 1.00 0.00 C ATOM 325 CE1 TYR A 263 -12.113 9.996 -12.649 1.00 0.00 C ATOM 326 CE2 TYR A 263 -10.352 8.409 -12.976 1.00 0.00 C ATOM 327 CZ TYR A 263 -11.101 9.475 -13.428 1.00 0.00 C ATOM 328 OH TYR A 263 -10.838 10.023 -14.663 1.00 0.00 O ATOM 0 H TYR A 263 -9.327 7.965 -7.973 1.00 0.00 H new ATOM 0 HA TYR A 263 -11.677 9.562 -8.418 1.00 0.00 H new ATOM 0 HB2 TYR A 263 -11.558 6.741 -9.556 1.00 0.00 H new ATOM 0 HB3 TYR A 263 -13.002 7.725 -9.428 1.00 0.00 H new ATOM 0 HD1 TYR A 263 -13.164 9.857 -10.800 1.00 0.00 H new ATOM 0 HD2 TYR A 263 -10.034 7.026 -11.386 1.00 0.00 H new ATOM 0 HE1 TYR A 263 -12.699 10.830 -13.006 1.00 0.00 H new ATOM 0 HE2 TYR A 263 -9.560 8.004 -13.588 1.00 0.00 H new ATOM 0 HH TYR A 263 -10.095 9.542 -15.083 1.00 0.00 H new ATOM 338 N PRO A 264 -12.734 8.396 -6.458 1.00 0.00 N ATOM 339 CA PRO A 264 -13.219 7.876 -5.176 1.00 0.00 C ATOM 340 C PRO A 264 -13.840 6.490 -5.311 1.00 0.00 C ATOM 341 O PRO A 264 -14.338 6.123 -6.376 1.00 0.00 O ATOM 342 CB PRO A 264 -14.279 8.898 -4.757 1.00 0.00 C ATOM 343 CG PRO A 264 -14.745 9.506 -6.034 1.00 0.00 C ATOM 344 CD PRO A 264 -13.549 9.521 -6.946 1.00 0.00 C ATOM 0 HA PRO A 264 -12.412 7.757 -4.453 1.00 0.00 H new ATOM 0 HB2 PRO A 264 -15.100 8.420 -4.223 1.00 0.00 H new ATOM 0 HB3 PRO A 264 -13.861 9.651 -4.089 1.00 0.00 H new ATOM 0 HG2 PRO A 264 -15.559 8.926 -6.468 1.00 0.00 H new ATOM 0 HG3 PRO A 264 -15.124 10.515 -5.871 1.00 0.00 H new ATOM 0 HD2 PRO A 264 -13.837 9.386 -7.989 1.00 0.00 H new ATOM 0 HD3 PRO A 264 -13.008 10.465 -6.884 1.00 0.00 H new ATOM 352 N TYR A 265 -13.807 5.724 -4.227 1.00 0.00 N ATOM 353 CA TYR A 265 -14.365 4.376 -4.225 1.00 0.00 C ATOM 354 C TYR A 265 -14.931 4.023 -2.853 1.00 0.00 C ATOM 355 O TYR A 265 -14.240 4.123 -1.838 1.00 0.00 O ATOM 356 CB TYR A 265 -13.296 3.359 -4.626 1.00 0.00 C ATOM 357 CG TYR A 265 -13.624 1.942 -4.213 1.00 0.00 C ATOM 358 CD1 TYR A 265 -14.497 1.163 -4.963 1.00 0.00 C ATOM 359 CD2 TYR A 265 -13.061 1.381 -3.073 1.00 0.00 C ATOM 360 CE1 TYR A 265 -14.801 -0.132 -4.589 1.00 0.00 C ATOM 361 CE2 TYR A 265 -13.358 0.087 -2.693 1.00 0.00 C ATOM 362 CZ TYR A 265 -14.228 -0.666 -3.454 1.00 0.00 C ATOM 363 OH TYR A 265 -14.526 -1.955 -3.077 1.00 0.00 O ATOM 0 H TYR A 265 -13.400 6.013 -3.338 1.00 0.00 H new ATOM 0 HA TYR A 265 -15.177 4.345 -4.951 1.00 0.00 H new ATOM 0 HB2 TYR A 265 -13.163 3.392 -5.707 1.00 0.00 H new ATOM 0 HB3 TYR A 265 -12.345 3.648 -4.179 1.00 0.00 H new ATOM 0 HD1 TYR A 265 -14.946 1.577 -5.854 1.00 0.00 H new ATOM 0 HD2 TYR A 265 -12.380 1.967 -2.474 1.00 0.00 H new ATOM 0 HE1 TYR A 265 -15.483 -0.723 -5.182 1.00 0.00 H new ATOM 0 HE2 TYR A 265 -12.911 -0.334 -1.804 1.00 0.00 H new ATOM 0 HH TYR A 265 -13.695 -2.446 -2.904 1.00 0.00 H new ATOM 373 N THR A 266 -16.194 3.607 -2.830 1.00 0.00 N ATOM 374 CA THR A 266 -16.854 3.239 -1.584 1.00 0.00 C ATOM 375 C THR A 266 -16.811 1.731 -1.364 1.00 0.00 C ATOM 376 O THR A 266 -17.493 0.961 -2.041 1.00 0.00 O ATOM 377 CB THR A 266 -18.322 3.707 -1.567 1.00 0.00 C ATOM 378 OG1 THR A 266 -18.408 5.064 -2.015 1.00 0.00 O ATOM 379 CG2 THR A 266 -18.910 3.590 -0.169 1.00 0.00 C ATOM 0 H THR A 266 -16.780 3.517 -3.660 1.00 0.00 H new ATOM 0 HA THR A 266 -16.312 3.737 -0.780 1.00 0.00 H new ATOM 0 HB THR A 266 -18.893 3.067 -2.239 1.00 0.00 H new ATOM 0 HG1 THR A 266 -19.344 5.354 -2.003 1.00 0.00 H new ATOM 0 HG21 THR A 266 -19.947 3.926 -0.181 1.00 0.00 H new ATOM 0 HG22 THR A 266 -18.869 2.551 0.157 1.00 0.00 H new ATOM 0 HG23 THR A 266 -18.336 4.209 0.520 1.00 0.00 H new ATOM 387 N PRO A 267 -15.991 1.296 -0.396 1.00 0.00 N ATOM 388 CA PRO A 267 -15.841 -0.123 -0.064 1.00 0.00 C ATOM 389 C PRO A 267 -17.088 -0.699 0.599 1.00 0.00 C ATOM 390 O PRO A 267 -17.974 0.042 1.022 1.00 0.00 O ATOM 391 CB PRO A 267 -14.662 -0.136 0.913 1.00 0.00 C ATOM 392 CG PRO A 267 -14.660 1.223 1.522 1.00 0.00 C ATOM 393 CD PRO A 267 -15.148 2.158 0.450 1.00 0.00 C ATOM 0 HA PRO A 267 -15.683 -0.735 -0.952 1.00 0.00 H new ATOM 0 HB2 PRO A 267 -14.785 -0.909 1.671 1.00 0.00 H new ATOM 0 HB3 PRO A 267 -13.723 -0.340 0.398 1.00 0.00 H new ATOM 0 HG2 PRO A 267 -15.309 1.260 2.397 1.00 0.00 H new ATOM 0 HG3 PRO A 267 -13.660 1.500 1.856 1.00 0.00 H new ATOM 0 HD2 PRO A 267 -15.716 2.989 0.869 1.00 0.00 H new ATOM 0 HD3 PRO A 267 -14.321 2.590 -0.114 1.00 0.00 H new ATOM 401 N GLN A 268 -17.148 -2.024 0.684 1.00 0.00 N ATOM 402 CA GLN A 268 -18.288 -2.698 1.295 1.00 0.00 C ATOM 403 C GLN A 268 -17.864 -3.455 2.550 1.00 0.00 C ATOM 404 O GLN A 268 -18.688 -3.757 3.412 1.00 0.00 O ATOM 405 CB GLN A 268 -18.932 -3.662 0.297 1.00 0.00 C ATOM 406 CG GLN A 268 -19.350 -2.999 -1.006 1.00 0.00 C ATOM 407 CD GLN A 268 -20.691 -2.301 -0.902 1.00 0.00 C ATOM 408 OE1 GLN A 268 -21.711 -2.930 -0.617 1.00 0.00 O ATOM 409 NE2 GLN A 268 -20.698 -0.993 -1.133 1.00 0.00 N ATOM 0 H GLN A 268 -16.422 -2.651 0.338 1.00 0.00 H new ATOM 0 HA GLN A 268 -19.017 -1.939 1.579 1.00 0.00 H new ATOM 0 HB2 GLN A 268 -18.230 -4.466 0.077 1.00 0.00 H new ATOM 0 HB3 GLN A 268 -19.807 -4.120 0.759 1.00 0.00 H new ATOM 0 HG2 GLN A 268 -18.590 -2.275 -1.301 1.00 0.00 H new ATOM 0 HG3 GLN A 268 -19.396 -3.751 -1.793 1.00 0.00 H new ATOM 0 HE21 GLN A 268 -19.829 -0.512 -1.366 1.00 0.00 H new ATOM 0 HE22 GLN A 268 -21.572 -0.470 -1.077 1.00 0.00 H new ATOM 418 N ASN A 269 -16.574 -3.759 2.644 1.00 0.00 N ATOM 419 CA ASN A 269 -16.041 -4.481 3.793 1.00 0.00 C ATOM 420 C ASN A 269 -14.565 -4.157 4.003 1.00 0.00 C ATOM 421 O ASN A 269 -13.989 -3.343 3.281 1.00 0.00 O ATOM 422 CB ASN A 269 -16.221 -5.989 3.603 1.00 0.00 C ATOM 423 CG ASN A 269 -17.644 -6.358 3.229 1.00 0.00 C ATOM 424 OD1 ASN A 269 -17.955 -6.568 2.056 1.00 0.00 O ATOM 425 ND2 ASN A 269 -18.516 -6.437 4.227 1.00 0.00 N ATOM 0 H ASN A 269 -15.878 -3.517 1.938 1.00 0.00 H new ATOM 0 HA ASN A 269 -16.594 -4.164 4.677 1.00 0.00 H new ATOM 0 HB2 ASN A 269 -15.542 -6.338 2.826 1.00 0.00 H new ATOM 0 HB3 ASN A 269 -15.945 -6.504 4.523 1.00 0.00 H new ATOM 0 HD21 ASN A 269 -19.488 -6.680 4.037 1.00 0.00 H new ATOM 0 HD22 ASN A 269 -18.214 -6.255 5.184 1.00 0.00 H new ATOM 432 N ASP A 270 -13.958 -4.801 4.994 1.00 0.00 N ATOM 433 CA ASP A 270 -12.549 -4.583 5.298 1.00 0.00 C ATOM 434 C ASP A 270 -11.665 -5.060 4.150 1.00 0.00 C ATOM 435 O ASP A 270 -10.647 -4.442 3.839 1.00 0.00 O ATOM 436 CB ASP A 270 -12.165 -5.309 6.589 1.00 0.00 C ATOM 437 CG ASP A 270 -10.778 -4.936 7.073 1.00 0.00 C ATOM 438 OD1 ASP A 270 -10.435 -3.736 7.024 1.00 0.00 O ATOM 439 OD2 ASP A 270 -10.035 -5.843 7.501 1.00 0.00 O ATOM 0 H ASP A 270 -14.420 -5.478 5.601 1.00 0.00 H new ATOM 0 HA ASP A 270 -12.394 -3.513 5.432 1.00 0.00 H new ATOM 0 HB2 ASP A 270 -12.893 -5.073 7.365 1.00 0.00 H new ATOM 0 HB3 ASP A 270 -12.212 -6.386 6.425 1.00 0.00 H new ATOM 444 N ASP A 271 -12.061 -6.164 3.525 1.00 0.00 N ATOM 445 CA ASP A 271 -11.305 -6.725 2.411 1.00 0.00 C ATOM 446 C ASP A 271 -10.736 -5.618 1.529 1.00 0.00 C ATOM 447 O ASP A 271 -9.597 -5.702 1.069 1.00 0.00 O ATOM 448 CB ASP A 271 -12.193 -7.651 1.579 1.00 0.00 C ATOM 449 CG ASP A 271 -13.250 -8.345 2.416 1.00 0.00 C ATOM 450 OD1 ASP A 271 -12.876 -9.072 3.360 1.00 0.00 O ATOM 451 OD2 ASP A 271 -14.451 -8.162 2.126 1.00 0.00 O ATOM 0 H ASP A 271 -12.901 -6.688 3.771 1.00 0.00 H new ATOM 0 HA ASP A 271 -10.476 -7.302 2.821 1.00 0.00 H new ATOM 0 HB2 ASP A 271 -12.678 -7.074 0.792 1.00 0.00 H new ATOM 0 HB3 ASP A 271 -11.572 -8.401 1.088 1.00 0.00 H new ATOM 456 N GLU A 272 -11.536 -4.582 1.297 1.00 0.00 N ATOM 457 CA GLU A 272 -11.112 -3.460 0.468 1.00 0.00 C ATOM 458 C GLU A 272 -10.801 -2.237 1.326 1.00 0.00 C ATOM 459 O GLU A 272 -11.000 -2.250 2.542 1.00 0.00 O ATOM 460 CB GLU A 272 -12.194 -3.116 -0.557 1.00 0.00 C ATOM 461 CG GLU A 272 -13.533 -2.762 0.068 1.00 0.00 C ATOM 462 CD GLU A 272 -14.423 -3.974 0.267 1.00 0.00 C ATOM 463 OE1 GLU A 272 -14.258 -4.669 1.291 1.00 0.00 O ATOM 464 OE2 GLU A 272 -15.284 -4.227 -0.602 1.00 0.00 O ATOM 0 H GLU A 272 -12.481 -4.497 1.671 1.00 0.00 H new ATOM 0 HA GLU A 272 -10.204 -3.754 -0.059 1.00 0.00 H new ATOM 0 HB2 GLU A 272 -11.853 -2.278 -1.165 1.00 0.00 H new ATOM 0 HB3 GLU A 272 -12.329 -3.964 -1.229 1.00 0.00 H new ATOM 0 HG2 GLU A 272 -13.364 -2.278 1.030 1.00 0.00 H new ATOM 0 HG3 GLU A 272 -14.046 -2.039 -0.567 1.00 0.00 H new ATOM 471 N LEU A 273 -10.312 -1.181 0.685 1.00 0.00 N ATOM 472 CA LEU A 273 -9.973 0.051 1.388 1.00 0.00 C ATOM 473 C LEU A 273 -10.597 1.261 0.700 1.00 0.00 C ATOM 474 O LEU A 273 -10.746 1.282 -0.522 1.00 0.00 O ATOM 475 CB LEU A 273 -8.454 0.219 1.461 1.00 0.00 C ATOM 476 CG LEU A 273 -7.948 1.629 1.768 1.00 0.00 C ATOM 477 CD1 LEU A 273 -7.972 1.890 3.266 1.00 0.00 C ATOM 478 CD2 LEU A 273 -6.545 1.824 1.213 1.00 0.00 C ATOM 0 H LEU A 273 -10.141 -1.153 -0.320 1.00 0.00 H new ATOM 0 HA LEU A 273 -10.374 -0.016 2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 273 -8.070 -0.457 2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 273 -8.027 -0.099 0.510 1.00 0.00 H new ATOM 0 HG LEU A 273 -8.611 2.346 1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 273 -7.609 2.898 3.466 1.00 0.00 H new ATOM 0 HD12 LEU A 273 -8.993 1.792 3.636 1.00 0.00 H new ATOM 0 HD13 LEU A 273 -7.332 1.167 3.772 1.00 0.00 H new ATOM 0 HD21 LEU A 273 -6.201 2.833 1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 273 -5.870 1.099 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 273 -6.558 1.680 0.133 1.00 0.00 H new ATOM 490 N GLU A 274 -10.957 2.266 1.491 1.00 0.00 N ATOM 491 CA GLU A 274 -11.564 3.479 0.956 1.00 0.00 C ATOM 492 C GLU A 274 -10.561 4.263 0.114 1.00 0.00 C ATOM 493 O GLU A 274 -9.365 4.281 0.409 1.00 0.00 O ATOM 494 CB GLU A 274 -12.088 4.358 2.094 1.00 0.00 C ATOM 495 CG GLU A 274 -12.885 5.560 1.616 1.00 0.00 C ATOM 496 CD GLU A 274 -13.004 6.639 2.675 1.00 0.00 C ATOM 497 OE1 GLU A 274 -12.139 6.685 3.574 1.00 0.00 O ATOM 498 OE2 GLU A 274 -13.961 7.438 2.604 1.00 0.00 O ATOM 0 H GLU A 274 -10.839 2.265 2.504 1.00 0.00 H new ATOM 0 HA GLU A 274 -12.398 3.187 0.318 1.00 0.00 H new ATOM 0 HB2 GLU A 274 -12.715 3.754 2.749 1.00 0.00 H new ATOM 0 HB3 GLU A 274 -11.245 4.706 2.691 1.00 0.00 H new ATOM 0 HG2 GLU A 274 -12.409 5.978 0.729 1.00 0.00 H new ATOM 0 HG3 GLU A 274 -13.882 5.235 1.319 1.00 0.00 H new ATOM 505 N LEU A 275 -11.056 4.909 -0.936 1.00 0.00 N ATOM 506 CA LEU A 275 -10.205 5.694 -1.822 1.00 0.00 C ATOM 507 C LEU A 275 -10.582 7.171 -1.771 1.00 0.00 C ATOM 508 O LEU A 275 -11.757 7.527 -1.859 1.00 0.00 O ATOM 509 CB LEU A 275 -10.315 5.177 -3.258 1.00 0.00 C ATOM 510 CG LEU A 275 -9.853 3.738 -3.490 1.00 0.00 C ATOM 511 CD1 LEU A 275 -9.526 3.513 -4.958 1.00 0.00 C ATOM 512 CD2 LEU A 275 -8.648 3.417 -2.618 1.00 0.00 C ATOM 0 H LEU A 275 -12.043 4.904 -1.194 1.00 0.00 H new ATOM 0 HA LEU A 275 -9.175 5.589 -1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 275 -11.355 5.259 -3.574 1.00 0.00 H new ATOM 0 HB3 LEU A 275 -9.733 5.833 -3.905 1.00 0.00 H new ATOM 0 HG LEU A 275 -10.666 3.067 -3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 275 -9.199 2.484 -5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 275 -10.414 3.701 -5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 275 -8.730 4.193 -5.262 1.00 0.00 H new ATOM 0 HD21 LEU A 275 -8.333 2.389 -2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 275 -7.830 4.095 -2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 275 -8.916 3.537 -1.568 1.00 0.00 H new ATOM 524 N VAL A 276 -9.576 8.029 -1.630 1.00 0.00 N ATOM 525 CA VAL A 276 -9.801 9.468 -1.571 1.00 0.00 C ATOM 526 C VAL A 276 -9.048 10.188 -2.684 1.00 0.00 C ATOM 527 O VAL A 276 -7.851 9.987 -2.890 1.00 0.00 O ATOM 528 CB VAL A 276 -9.365 10.049 -0.213 1.00 0.00 C ATOM 529 CG1 VAL A 276 -9.517 11.562 -0.205 1.00 0.00 C ATOM 530 CG2 VAL A 276 -10.165 9.419 0.917 1.00 0.00 C ATOM 0 H VAL A 276 -8.597 7.752 -1.555 1.00 0.00 H new ATOM 0 HA VAL A 276 -10.872 9.626 -1.699 1.00 0.00 H new ATOM 0 HB VAL A 276 -8.312 9.813 -0.058 1.00 0.00 H new ATOM 0 HG11 VAL A 276 -9.204 11.954 0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 276 -8.896 11.994 -0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 276 -10.560 11.824 -0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 276 -9.844 9.841 1.869 1.00 0.00 H new ATOM 0 HG22 VAL A 276 -11.226 9.622 0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 276 -9.999 8.342 0.923 1.00 0.00 H new ATOM 540 N PRO A 277 -9.765 11.050 -3.421 1.00 0.00 N ATOM 541 CA PRO A 277 -9.185 11.819 -4.526 1.00 0.00 C ATOM 542 C PRO A 277 -8.214 12.890 -4.040 1.00 0.00 C ATOM 543 O PRO A 277 -8.626 13.920 -3.508 1.00 0.00 O ATOM 544 CB PRO A 277 -10.406 12.464 -5.188 1.00 0.00 C ATOM 545 CG PRO A 277 -11.426 12.542 -4.106 1.00 0.00 C ATOM 546 CD PRO A 277 -11.196 11.340 -3.232 1.00 0.00 C ATOM 0 HA PRO A 277 -8.601 11.190 -5.198 1.00 0.00 H new ATOM 0 HB2 PRO A 277 -10.168 13.453 -5.580 1.00 0.00 H new ATOM 0 HB3 PRO A 277 -10.763 11.867 -6.027 1.00 0.00 H new ATOM 0 HG2 PRO A 277 -11.320 13.465 -3.536 1.00 0.00 H new ATOM 0 HG3 PRO A 277 -12.435 12.537 -4.519 1.00 0.00 H new ATOM 0 HD2 PRO A 277 -11.429 11.552 -2.188 1.00 0.00 H new ATOM 0 HD3 PRO A 277 -11.820 10.499 -3.534 1.00 0.00 H new ATOM 554 N GLY A 278 -6.922 12.640 -4.228 1.00 0.00 N ATOM 555 CA GLY A 278 -5.913 13.592 -3.804 1.00 0.00 C ATOM 556 C GLY A 278 -4.991 13.026 -2.742 1.00 0.00 C ATOM 557 O GLY A 278 -4.209 13.758 -2.134 1.00 0.00 O ATOM 0 H GLY A 278 -6.556 11.795 -4.667 1.00 0.00 H new ATOM 0 HA2 GLY A 278 -5.322 13.899 -4.667 1.00 0.00 H new ATOM 0 HA3 GLY A 278 -6.402 14.486 -3.417 1.00 0.00 H new ATOM 561 N ASP A 279 -5.084 11.720 -2.516 1.00 0.00 N ATOM 562 CA ASP A 279 -4.252 11.056 -1.519 1.00 0.00 C ATOM 563 C ASP A 279 -3.272 10.094 -2.183 1.00 0.00 C ATOM 564 O ASP A 279 -3.273 9.934 -3.404 1.00 0.00 O ATOM 565 CB ASP A 279 -5.126 10.301 -0.516 1.00 0.00 C ATOM 566 CG ASP A 279 -5.535 11.165 0.661 1.00 0.00 C ATOM 567 OD1 ASP A 279 -4.934 12.246 0.841 1.00 0.00 O ATOM 568 OD2 ASP A 279 -6.456 10.762 1.400 1.00 0.00 O ATOM 0 H ASP A 279 -5.727 11.100 -3.009 1.00 0.00 H new ATOM 0 HA ASP A 279 -3.682 11.820 -0.990 1.00 0.00 H new ATOM 0 HB2 ASP A 279 -6.019 9.934 -1.021 1.00 0.00 H new ATOM 0 HB3 ASP A 279 -4.584 9.428 -0.151 1.00 0.00 H new ATOM 573 N PHE A 280 -2.434 9.457 -1.372 1.00 0.00 N ATOM 574 CA PHE A 280 -1.447 8.512 -1.880 1.00 0.00 C ATOM 575 C PHE A 280 -1.687 7.116 -1.314 1.00 0.00 C ATOM 576 O PHE A 280 -2.348 6.957 -0.287 1.00 0.00 O ATOM 577 CB PHE A 280 -0.033 8.981 -1.529 1.00 0.00 C ATOM 578 CG PHE A 280 0.524 9.984 -2.499 1.00 0.00 C ATOM 579 CD1 PHE A 280 0.714 9.650 -3.830 1.00 0.00 C ATOM 580 CD2 PHE A 280 0.857 11.262 -2.079 1.00 0.00 C ATOM 581 CE1 PHE A 280 1.227 10.571 -4.723 1.00 0.00 C ATOM 582 CE2 PHE A 280 1.370 12.187 -2.968 1.00 0.00 C ATOM 583 CZ PHE A 280 1.554 11.841 -4.292 1.00 0.00 C ATOM 0 H PHE A 280 -2.419 9.578 -0.359 1.00 0.00 H new ATOM 0 HA PHE A 280 -1.549 8.467 -2.964 1.00 0.00 H new ATOM 0 HB2 PHE A 280 -0.041 9.419 -0.531 1.00 0.00 H new ATOM 0 HB3 PHE A 280 0.629 8.116 -1.492 1.00 0.00 H new ATOM 0 HD1 PHE A 280 0.458 8.659 -4.173 1.00 0.00 H new ATOM 0 HD2 PHE A 280 0.714 11.538 -1.045 1.00 0.00 H new ATOM 0 HE1 PHE A 280 1.372 10.297 -5.758 1.00 0.00 H new ATOM 0 HE2 PHE A 280 1.627 13.179 -2.628 1.00 0.00 H new ATOM 0 HZ PHE A 280 1.953 12.563 -4.989 1.00 0.00 H new ATOM 593 N ILE A 281 -1.146 6.108 -1.990 1.00 0.00 N ATOM 594 CA ILE A 281 -1.301 4.726 -1.554 1.00 0.00 C ATOM 595 C ILE A 281 0.023 3.974 -1.630 1.00 0.00 C ATOM 596 O ILE A 281 0.777 4.117 -2.594 1.00 0.00 O ATOM 597 CB ILE A 281 -2.350 3.983 -2.402 1.00 0.00 C ATOM 598 CG1 ILE A 281 -3.639 4.802 -2.492 1.00 0.00 C ATOM 599 CG2 ILE A 281 -2.630 2.608 -1.813 1.00 0.00 C ATOM 600 CD1 ILE A 281 -4.438 4.815 -1.207 1.00 0.00 C ATOM 0 H ILE A 281 -0.597 6.223 -2.842 1.00 0.00 H new ATOM 0 HA ILE A 281 -1.639 4.758 -0.518 1.00 0.00 H new ATOM 0 HB ILE A 281 -1.954 3.852 -3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 281 -3.390 5.827 -2.766 1.00 0.00 H new ATOM 0 HG13 ILE A 281 -4.260 4.400 -3.292 1.00 0.00 H new ATOM 0 HG21 ILE A 281 -3.373 2.095 -2.423 1.00 0.00 H new ATOM 0 HG22 ILE A 281 -1.709 2.025 -1.796 1.00 0.00 H new ATOM 0 HG23 ILE A 281 -3.008 2.718 -0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 281 -5.338 5.414 -1.344 1.00 0.00 H new ATOM 0 HD12 ILE A 281 -4.718 3.795 -0.942 1.00 0.00 H new ATOM 0 HD13 ILE A 281 -3.834 5.245 -0.408 1.00 0.00 H new ATOM 612 N PHE A 282 0.300 3.171 -0.609 1.00 0.00 N ATOM 613 CA PHE A 282 1.534 2.394 -0.560 1.00 0.00 C ATOM 614 C PHE A 282 1.277 0.940 -0.942 1.00 0.00 C ATOM 615 O PHE A 282 0.592 0.210 -0.226 1.00 0.00 O ATOM 616 CB PHE A 282 2.150 2.464 0.839 1.00 0.00 C ATOM 617 CG PHE A 282 2.745 3.804 1.166 1.00 0.00 C ATOM 618 CD1 PHE A 282 3.690 4.379 0.331 1.00 0.00 C ATOM 619 CD2 PHE A 282 2.360 4.488 2.308 1.00 0.00 C ATOM 620 CE1 PHE A 282 4.239 5.612 0.629 1.00 0.00 C ATOM 621 CE2 PHE A 282 2.906 5.721 2.610 1.00 0.00 C ATOM 622 CZ PHE A 282 3.848 6.284 1.770 1.00 0.00 C ATOM 0 H PHE A 282 -0.313 3.041 0.196 1.00 0.00 H new ATOM 0 HA PHE A 282 2.232 2.822 -1.279 1.00 0.00 H new ATOM 0 HB2 PHE A 282 1.384 2.226 1.577 1.00 0.00 H new ATOM 0 HB3 PHE A 282 2.924 1.701 0.925 1.00 0.00 H new ATOM 0 HD1 PHE A 282 4.001 3.858 -0.562 1.00 0.00 H new ATOM 0 HD2 PHE A 282 1.625 4.053 2.969 1.00 0.00 H new ATOM 0 HE1 PHE A 282 4.974 6.050 -0.031 1.00 0.00 H new ATOM 0 HE2 PHE A 282 2.597 6.245 3.502 1.00 0.00 H new ATOM 0 HZ PHE A 282 4.277 7.247 2.005 1.00 0.00 H new ATOM 632 N MET A 283 1.831 0.526 -2.077 1.00 0.00 N ATOM 633 CA MET A 283 1.662 -0.842 -2.555 1.00 0.00 C ATOM 634 C MET A 283 2.879 -1.693 -2.207 1.00 0.00 C ATOM 635 O MET A 283 4.017 -1.230 -2.291 1.00 0.00 O ATOM 636 CB MET A 283 1.434 -0.851 -4.068 1.00 0.00 C ATOM 637 CG MET A 283 0.563 -2.003 -4.543 1.00 0.00 C ATOM 638 SD MET A 283 1.325 -3.612 -4.262 1.00 0.00 S ATOM 639 CE MET A 283 2.701 -3.540 -5.406 1.00 0.00 C ATOM 0 H MET A 283 2.400 1.117 -2.682 1.00 0.00 H new ATOM 0 HA MET A 283 0.789 -1.269 -2.061 1.00 0.00 H new ATOM 0 HB2 MET A 283 0.970 0.090 -4.363 1.00 0.00 H new ATOM 0 HB3 MET A 283 2.399 -0.903 -4.573 1.00 0.00 H new ATOM 0 HG2 MET A 283 -0.396 -1.965 -4.027 1.00 0.00 H new ATOM 0 HG3 MET A 283 0.358 -1.883 -5.607 1.00 0.00 H new ATOM 0 HE1 MET A 283 3.074 -4.547 -5.590 1.00 0.00 H new ATOM 0 HE2 MET A 283 2.370 -3.098 -6.346 1.00 0.00 H new ATOM 0 HE3 MET A 283 3.498 -2.931 -4.979 1.00 0.00 H new ATOM 649 N SER A 284 2.632 -2.939 -1.817 1.00 0.00 N ATOM 650 CA SER A 284 3.708 -3.854 -1.453 1.00 0.00 C ATOM 651 C SER A 284 3.506 -5.218 -2.105 1.00 0.00 C ATOM 652 O SER A 284 2.387 -5.720 -2.220 1.00 0.00 O ATOM 653 CB SER A 284 3.782 -4.009 0.067 1.00 0.00 C ATOM 654 OG SER A 284 5.034 -4.539 0.466 1.00 0.00 O ATOM 0 H SER A 284 1.696 -3.338 -1.745 1.00 0.00 H new ATOM 0 HA SER A 284 4.646 -3.433 -1.815 1.00 0.00 H new ATOM 0 HB2 SER A 284 3.626 -3.041 0.542 1.00 0.00 H new ATOM 0 HB3 SER A 284 2.981 -4.665 0.408 1.00 0.00 H new ATOM 0 HG SER A 284 5.056 -4.627 1.442 1.00 0.00 H new ATOM 660 N PRO A 285 4.614 -5.834 -2.543 1.00 0.00 N ATOM 661 CA PRO A 285 4.585 -7.149 -3.191 1.00 0.00 C ATOM 662 C PRO A 285 4.230 -8.267 -2.217 1.00 0.00 C ATOM 663 O PRO A 285 3.523 -9.210 -2.572 1.00 0.00 O ATOM 664 CB PRO A 285 6.017 -7.322 -3.705 1.00 0.00 C ATOM 665 CG PRO A 285 6.846 -6.466 -2.812 1.00 0.00 C ATOM 666 CD PRO A 285 5.980 -5.295 -2.439 1.00 0.00 C ATOM 0 HA PRO A 285 3.827 -7.202 -3.973 1.00 0.00 H new ATOM 0 HB2 PRO A 285 6.331 -8.365 -3.658 1.00 0.00 H new ATOM 0 HB3 PRO A 285 6.104 -7.010 -4.746 1.00 0.00 H new ATOM 0 HG2 PRO A 285 7.160 -7.017 -1.925 1.00 0.00 H new ATOM 0 HG3 PRO A 285 7.752 -6.135 -3.320 1.00 0.00 H new ATOM 0 HD2 PRO A 285 6.196 -4.940 -1.431 1.00 0.00 H new ATOM 0 HD3 PRO A 285 6.132 -4.452 -3.113 1.00 0.00 H new ATOM 674 N MET A 286 4.725 -8.156 -0.989 1.00 0.00 N ATOM 675 CA MET A 286 4.458 -9.158 0.036 1.00 0.00 C ATOM 676 C MET A 286 3.027 -9.040 0.551 1.00 0.00 C ATOM 677 O MET A 286 2.615 -9.784 1.441 1.00 0.00 O ATOM 678 CB MET A 286 5.444 -9.007 1.196 1.00 0.00 C ATOM 679 CG MET A 286 6.899 -8.979 0.757 1.00 0.00 C ATOM 680 SD MET A 286 8.037 -9.368 2.100 1.00 0.00 S ATOM 681 CE MET A 286 7.669 -11.101 2.364 1.00 0.00 C ATOM 0 H MET A 286 5.313 -7.382 -0.679 1.00 0.00 H new ATOM 0 HA MET A 286 4.584 -10.143 -0.412 1.00 0.00 H new ATOM 0 HB2 MET A 286 5.218 -8.088 1.737 1.00 0.00 H new ATOM 0 HB3 MET A 286 5.300 -9.831 1.895 1.00 0.00 H new ATOM 0 HG2 MET A 286 7.043 -9.692 -0.054 1.00 0.00 H new ATOM 0 HG3 MET A 286 7.136 -7.992 0.360 1.00 0.00 H new ATOM 0 HE1 MET A 286 8.534 -11.593 2.808 1.00 0.00 H new ATOM 0 HE2 MET A 286 6.815 -11.194 3.035 1.00 0.00 H new ATOM 0 HE3 MET A 286 7.433 -11.572 1.410 1.00 0.00 H new ATOM 691 N GLU A 287 2.274 -8.101 -0.013 1.00 0.00 N ATOM 692 CA GLU A 287 0.890 -7.886 0.391 1.00 0.00 C ATOM 693 C GLU A 287 -0.037 -7.887 -0.821 1.00 0.00 C ATOM 694 O GLU A 287 -1.173 -7.419 -0.746 1.00 0.00 O ATOM 695 CB GLU A 287 0.756 -6.564 1.149 1.00 0.00 C ATOM 696 CG GLU A 287 1.642 -6.475 2.380 1.00 0.00 C ATOM 697 CD GLU A 287 1.312 -7.535 3.414 1.00 0.00 C ATOM 698 OE1 GLU A 287 0.245 -7.429 4.053 1.00 0.00 O ATOM 699 OE2 GLU A 287 2.123 -8.470 3.583 1.00 0.00 O ATOM 0 H GLU A 287 2.600 -7.477 -0.751 1.00 0.00 H new ATOM 0 HA GLU A 287 0.599 -8.705 1.049 1.00 0.00 H new ATOM 0 HB2 GLU A 287 1.001 -5.743 0.476 1.00 0.00 H new ATOM 0 HB3 GLU A 287 -0.283 -6.431 1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 287 2.685 -6.577 2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 287 1.535 -5.488 2.830 1.00 0.00 H new ATOM 706 N GLN A 288 0.457 -8.415 -1.936 1.00 0.00 N ATOM 707 CA GLN A 288 -0.327 -8.476 -3.164 1.00 0.00 C ATOM 708 C GLN A 288 -1.337 -9.617 -3.110 1.00 0.00 C ATOM 709 O GLN A 288 -1.066 -10.724 -3.575 1.00 0.00 O ATOM 710 CB GLN A 288 0.594 -8.651 -4.373 1.00 0.00 C ATOM 711 CG GLN A 288 1.051 -7.337 -4.986 1.00 0.00 C ATOM 712 CD GLN A 288 1.321 -7.449 -6.473 1.00 0.00 C ATOM 713 OE1 GLN A 288 2.111 -8.286 -6.911 1.00 0.00 O ATOM 714 NE2 GLN A 288 0.664 -6.604 -7.260 1.00 0.00 N ATOM 0 H GLN A 288 1.396 -8.806 -2.014 1.00 0.00 H new ATOM 0 HA GLN A 288 -0.873 -7.538 -3.264 1.00 0.00 H new ATOM 0 HB2 GLN A 288 1.470 -9.226 -4.072 1.00 0.00 H new ATOM 0 HB3 GLN A 288 0.075 -9.236 -5.133 1.00 0.00 H new ATOM 0 HG2 GLN A 288 0.289 -6.577 -4.815 1.00 0.00 H new ATOM 0 HG3 GLN A 288 1.956 -7.000 -4.481 1.00 0.00 H new ATOM 0 HE21 GLN A 288 0.019 -5.926 -6.854 1.00 0.00 H new ATOM 0 HE22 GLN A 288 0.805 -6.633 -8.270 1.00 0.00 H new ATOM 723 N THR A 289 -2.505 -9.340 -2.538 1.00 0.00 N ATOM 724 CA THR A 289 -3.556 -10.343 -2.421 1.00 0.00 C ATOM 725 C THR A 289 -4.675 -10.086 -3.424 1.00 0.00 C ATOM 726 O THR A 289 -5.227 -8.987 -3.485 1.00 0.00 O ATOM 727 CB THR A 289 -4.151 -10.370 -1.001 1.00 0.00 C ATOM 728 OG1 THR A 289 -4.921 -9.186 -0.769 1.00 0.00 O ATOM 729 CG2 THR A 289 -3.051 -10.479 0.044 1.00 0.00 C ATOM 0 H THR A 289 -2.747 -8.429 -2.148 1.00 0.00 H new ATOM 0 HA THR A 289 -3.097 -11.309 -2.633 1.00 0.00 H new ATOM 0 HB THR A 289 -4.797 -11.244 -0.918 1.00 0.00 H new ATOM 0 HG1 THR A 289 -5.219 -8.816 -1.626 1.00 0.00 H new ATOM 0 HG21 THR A 289 -3.495 -10.496 1.039 1.00 0.00 H new ATOM 0 HG22 THR A 289 -2.486 -11.397 -0.117 1.00 0.00 H new ATOM 0 HG23 THR A 289 -2.383 -9.622 -0.040 1.00 0.00 H new ATOM 737 N SER A 290 -5.006 -11.107 -4.209 1.00 0.00 N ATOM 738 CA SER A 290 -6.059 -10.990 -5.211 1.00 0.00 C ATOM 739 C SER A 290 -5.874 -9.728 -6.048 1.00 0.00 C ATOM 740 O SER A 290 -6.842 -9.148 -6.542 1.00 0.00 O ATOM 741 CB SER A 290 -7.433 -10.973 -4.539 1.00 0.00 C ATOM 742 OG SER A 290 -7.562 -12.040 -3.616 1.00 0.00 O ATOM 0 H SER A 290 -4.560 -12.024 -4.170 1.00 0.00 H new ATOM 0 HA SER A 290 -5.996 -11.855 -5.871 1.00 0.00 H new ATOM 0 HB2 SER A 290 -7.578 -10.023 -4.024 1.00 0.00 H new ATOM 0 HB3 SER A 290 -8.213 -11.047 -5.297 1.00 0.00 H new ATOM 0 HG SER A 290 -8.448 -12.006 -3.199 1.00 0.00 H new ATOM 748 N THR A 291 -4.623 -9.306 -6.204 1.00 0.00 N ATOM 749 CA THR A 291 -4.309 -8.113 -6.980 1.00 0.00 C ATOM 750 C THR A 291 -4.081 -8.455 -8.447 1.00 0.00 C ATOM 751 O THR A 291 -4.657 -7.830 -9.337 1.00 0.00 O ATOM 752 CB THR A 291 -3.060 -7.398 -6.430 1.00 0.00 C ATOM 753 OG1 THR A 291 -1.881 -8.128 -6.788 1.00 0.00 O ATOM 754 CG2 THR A 291 -3.137 -7.259 -4.917 1.00 0.00 C ATOM 0 H THR A 291 -3.810 -9.774 -5.803 1.00 0.00 H new ATOM 0 HA THR A 291 -5.167 -7.446 -6.895 1.00 0.00 H new ATOM 0 HB THR A 291 -3.017 -6.401 -6.868 1.00 0.00 H new ATOM 0 HG1 THR A 291 -1.548 -7.808 -7.652 1.00 0.00 H new ATOM 0 HG21 THR A 291 -2.244 -6.751 -4.552 1.00 0.00 H new ATOM 0 HG22 THR A 291 -4.020 -6.678 -4.649 1.00 0.00 H new ATOM 0 HG23 THR A 291 -3.203 -8.248 -4.464 1.00 0.00 H new ATOM 762 N SER A 292 -3.236 -9.452 -8.693 1.00 0.00 N ATOM 763 CA SER A 292 -2.929 -9.875 -10.055 1.00 0.00 C ATOM 764 C SER A 292 -4.183 -9.860 -10.924 1.00 0.00 C ATOM 765 O SER A 292 -4.132 -9.496 -12.098 1.00 0.00 O ATOM 766 CB SER A 292 -2.316 -11.276 -10.049 1.00 0.00 C ATOM 767 OG SER A 292 -3.294 -12.260 -9.760 1.00 0.00 O ATOM 0 H SER A 292 -2.752 -9.981 -7.968 1.00 0.00 H new ATOM 0 HA SER A 292 -2.209 -9.172 -10.475 1.00 0.00 H new ATOM 0 HB2 SER A 292 -1.864 -11.482 -11.019 1.00 0.00 H new ATOM 0 HB3 SER A 292 -1.518 -11.324 -9.308 1.00 0.00 H new ATOM 0 HG SER A 292 -2.877 -13.147 -9.764 1.00 0.00 H new ATOM 773 N GLU A 293 -5.308 -10.258 -10.337 1.00 0.00 N ATOM 774 CA GLU A 293 -6.575 -10.291 -11.058 1.00 0.00 C ATOM 775 C GLU A 293 -6.943 -8.904 -11.575 1.00 0.00 C ATOM 776 O GLU A 293 -7.332 -8.743 -12.731 1.00 0.00 O ATOM 777 CB GLU A 293 -7.688 -10.822 -10.153 1.00 0.00 C ATOM 778 CG GLU A 293 -8.883 -11.370 -10.915 1.00 0.00 C ATOM 779 CD GLU A 293 -9.970 -11.895 -9.997 1.00 0.00 C ATOM 780 OE1 GLU A 293 -10.770 -11.077 -9.496 1.00 0.00 O ATOM 781 OE2 GLU A 293 -10.020 -13.124 -9.779 1.00 0.00 O ATOM 0 H GLU A 293 -5.367 -10.562 -9.365 1.00 0.00 H new ATOM 0 HA GLU A 293 -6.461 -10.959 -11.912 1.00 0.00 H new ATOM 0 HB2 GLU A 293 -7.283 -11.608 -9.516 1.00 0.00 H new ATOM 0 HB3 GLU A 293 -8.024 -10.020 -9.496 1.00 0.00 H new ATOM 0 HG2 GLU A 293 -9.296 -10.585 -11.549 1.00 0.00 H new ATOM 0 HG3 GLU A 293 -8.552 -12.172 -11.575 1.00 0.00 H new ATOM 788 N GLY A 294 -6.817 -7.903 -10.709 1.00 0.00 N ATOM 789 CA GLY A 294 -7.140 -6.542 -11.095 1.00 0.00 C ATOM 790 C GLY A 294 -7.045 -5.571 -9.935 1.00 0.00 C ATOM 791 O GLY A 294 -6.830 -4.376 -10.133 1.00 0.00 O ATOM 0 H GLY A 294 -6.497 -8.011 -9.747 1.00 0.00 H new ATOM 0 HA2 GLY A 294 -6.464 -6.223 -11.888 1.00 0.00 H new ATOM 0 HA3 GLY A 294 -8.149 -6.514 -11.506 1.00 0.00 H new ATOM 795 N TRP A 295 -7.209 -6.085 -8.721 1.00 0.00 N ATOM 796 CA TRP A 295 -7.142 -5.255 -7.524 1.00 0.00 C ATOM 797 C TRP A 295 -5.694 -4.994 -7.123 1.00 0.00 C ATOM 798 O TRP A 295 -4.764 -5.460 -7.782 1.00 0.00 O ATOM 799 CB TRP A 295 -7.891 -5.924 -6.371 1.00 0.00 C ATOM 800 CG TRP A 295 -9.326 -6.220 -6.688 1.00 0.00 C ATOM 801 CD1 TRP A 295 -9.803 -7.261 -7.432 1.00 0.00 C ATOM 802 CD2 TRP A 295 -10.469 -5.466 -6.271 1.00 0.00 C ATOM 803 NE1 TRP A 295 -11.174 -7.199 -7.503 1.00 0.00 N ATOM 804 CE2 TRP A 295 -11.607 -6.107 -6.798 1.00 0.00 C ATOM 805 CE3 TRP A 295 -10.642 -4.312 -5.502 1.00 0.00 C ATOM 806 CZ2 TRP A 295 -12.897 -5.631 -6.581 1.00 0.00 C ATOM 807 CZ3 TRP A 295 -11.923 -3.840 -5.287 1.00 0.00 C ATOM 808 CH2 TRP A 295 -13.037 -4.499 -5.824 1.00 0.00 C ATOM 0 H TRP A 295 -7.389 -7.072 -8.540 1.00 0.00 H new ATOM 0 HA TRP A 295 -7.615 -4.299 -7.748 1.00 0.00 H new ATOM 0 HB2 TRP A 295 -7.385 -6.853 -6.109 1.00 0.00 H new ATOM 0 HB3 TRP A 295 -7.846 -5.278 -5.494 1.00 0.00 H new ATOM 0 HD1 TRP A 295 -9.193 -8.021 -7.896 1.00 0.00 H new ATOM 0 HE1 TRP A 295 -11.772 -7.859 -8.000 1.00 0.00 H new ATOM 0 HE3 TRP A 295 -9.790 -3.798 -5.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 295 -13.757 -6.137 -6.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 295 -12.068 -2.948 -4.695 1.00 0.00 H new ATOM 0 HH2 TRP A 295 -14.025 -4.106 -5.637 1.00 0.00 H new ATOM 819 N ILE A 296 -5.510 -4.248 -6.039 1.00 0.00 N ATOM 820 CA ILE A 296 -4.175 -3.928 -5.550 1.00 0.00 C ATOM 821 C ILE A 296 -4.201 -3.590 -4.063 1.00 0.00 C ATOM 822 O ILE A 296 -4.951 -2.716 -3.627 1.00 0.00 O ATOM 823 CB ILE A 296 -3.561 -2.746 -6.323 1.00 0.00 C ATOM 824 CG1 ILE A 296 -4.649 -1.742 -6.711 1.00 0.00 C ATOM 825 CG2 ILE A 296 -2.828 -3.245 -7.559 1.00 0.00 C ATOM 826 CD1 ILE A 296 -4.137 -0.327 -6.865 1.00 0.00 C ATOM 0 H ILE A 296 -6.269 -3.854 -5.483 1.00 0.00 H new ATOM 0 HA ILE A 296 -3.560 -4.814 -5.708 1.00 0.00 H new ATOM 0 HB ILE A 296 -2.842 -2.243 -5.677 1.00 0.00 H new ATOM 0 HG12 ILE A 296 -5.107 -2.058 -7.648 1.00 0.00 H new ATOM 0 HG13 ILE A 296 -5.432 -1.756 -5.953 1.00 0.00 H new ATOM 0 HG21 ILE A 296 -2.400 -2.398 -8.095 1.00 0.00 H new ATOM 0 HG22 ILE A 296 -2.031 -3.926 -7.259 1.00 0.00 H new ATOM 0 HG23 ILE A 296 -3.527 -3.770 -8.210 1.00 0.00 H new ATOM 0 HD11 ILE A 296 -4.962 0.330 -7.141 1.00 0.00 H new ATOM 0 HD12 ILE A 296 -3.705 0.008 -5.922 1.00 0.00 H new ATOM 0 HD13 ILE A 296 -3.375 -0.299 -7.644 1.00 0.00 H new ATOM 838 N TYR A 297 -3.375 -4.286 -3.289 1.00 0.00 N ATOM 839 CA TYR A 297 -3.303 -4.060 -1.851 1.00 0.00 C ATOM 840 C TYR A 297 -2.446 -2.838 -1.533 1.00 0.00 C ATOM 841 O TYR A 297 -1.231 -2.851 -1.724 1.00 0.00 O ATOM 842 CB TYR A 297 -2.733 -5.293 -1.148 1.00 0.00 C ATOM 843 CG TYR A 297 -2.934 -5.283 0.351 1.00 0.00 C ATOM 844 CD1 TYR A 297 -4.117 -5.745 0.916 1.00 0.00 C ATOM 845 CD2 TYR A 297 -1.941 -4.813 1.202 1.00 0.00 C ATOM 846 CE1 TYR A 297 -4.305 -5.736 2.284 1.00 0.00 C ATOM 847 CE2 TYR A 297 -2.120 -4.803 2.571 1.00 0.00 C ATOM 848 CZ TYR A 297 -3.304 -5.265 3.108 1.00 0.00 C ATOM 849 OH TYR A 297 -3.487 -5.257 4.472 1.00 0.00 O ATOM 0 H TYR A 297 -2.746 -5.011 -3.634 1.00 0.00 H new ATOM 0 HA TYR A 297 -4.314 -3.877 -1.487 1.00 0.00 H new ATOM 0 HB2 TYR A 297 -3.201 -6.186 -1.563 1.00 0.00 H new ATOM 0 HB3 TYR A 297 -1.667 -5.363 -1.363 1.00 0.00 H new ATOM 0 HD1 TYR A 297 -4.902 -6.117 0.274 1.00 0.00 H new ATOM 0 HD2 TYR A 297 -1.013 -4.449 0.785 1.00 0.00 H new ATOM 0 HE1 TYR A 297 -5.231 -6.096 2.707 1.00 0.00 H new ATOM 0 HE2 TYR A 297 -1.337 -4.435 3.218 1.00 0.00 H new ATOM 0 HH TYR A 297 -3.650 -4.339 4.775 1.00 0.00 H new ATOM 859 N GLY A 298 -3.090 -1.782 -1.046 1.00 0.00 N ATOM 860 CA GLY A 298 -2.373 -0.566 -0.709 1.00 0.00 C ATOM 861 C GLY A 298 -2.770 -0.016 0.647 1.00 0.00 C ATOM 862 O GLY A 298 -3.744 -0.469 1.249 1.00 0.00 O ATOM 0 H GLY A 298 -4.096 -1.747 -0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 298 -1.301 -0.766 -0.717 1.00 0.00 H new ATOM 0 HA3 GLY A 298 -2.563 0.188 -1.473 1.00 0.00 H new ATOM 866 N THR A 299 -2.013 0.964 1.131 1.00 0.00 N ATOM 867 CA THR A 299 -2.289 1.575 2.425 1.00 0.00 C ATOM 868 C THR A 299 -2.444 3.086 2.298 1.00 0.00 C ATOM 869 O THR A 299 -1.501 3.787 1.931 1.00 0.00 O ATOM 870 CB THR A 299 -1.173 1.268 3.440 1.00 0.00 C ATOM 871 OG1 THR A 299 -1.019 -0.148 3.586 1.00 0.00 O ATOM 872 CG2 THR A 299 -1.485 1.891 4.793 1.00 0.00 C ATOM 0 H THR A 299 -1.204 1.351 0.646 1.00 0.00 H new ATOM 0 HA THR A 299 -3.224 1.146 2.784 1.00 0.00 H new ATOM 0 HB THR A 299 -0.244 1.697 3.065 1.00 0.00 H new ATOM 0 HG1 THR A 299 -0.306 -0.335 4.232 1.00 0.00 H new ATOM 0 HG21 THR A 299 -0.682 1.660 5.493 1.00 0.00 H new ATOM 0 HG22 THR A 299 -1.572 2.972 4.684 1.00 0.00 H new ATOM 0 HG23 THR A 299 -2.424 1.487 5.172 1.00 0.00 H new ATOM 880 N SER A 300 -3.639 3.582 2.604 1.00 0.00 N ATOM 881 CA SER A 300 -3.917 5.011 2.521 1.00 0.00 C ATOM 882 C SER A 300 -2.908 5.810 3.340 1.00 0.00 C ATOM 883 O SER A 300 -2.340 5.305 4.310 1.00 0.00 O ATOM 884 CB SER A 300 -5.336 5.305 3.011 1.00 0.00 C ATOM 885 OG SER A 300 -5.793 6.557 2.531 1.00 0.00 O ATOM 0 H SER A 300 -4.430 3.016 2.911 1.00 0.00 H new ATOM 0 HA SER A 300 -3.831 5.313 1.477 1.00 0.00 H new ATOM 0 HB2 SER A 300 -6.010 4.516 2.677 1.00 0.00 H new ATOM 0 HB3 SER A 300 -5.356 5.301 4.101 1.00 0.00 H new ATOM 0 HG SER A 300 -6.703 6.720 2.857 1.00 0.00 H new ATOM 891 N LEU A 301 -2.690 7.059 2.944 1.00 0.00 N ATOM 892 CA LEU A 301 -1.750 7.929 3.641 1.00 0.00 C ATOM 893 C LEU A 301 -2.476 8.828 4.637 1.00 0.00 C ATOM 894 O LEU A 301 -2.099 8.908 5.807 1.00 0.00 O ATOM 895 CB LEU A 301 -0.975 8.784 2.636 1.00 0.00 C ATOM 896 CG LEU A 301 0.341 9.381 3.137 1.00 0.00 C ATOM 897 CD1 LEU A 301 1.426 8.317 3.182 1.00 0.00 C ATOM 898 CD2 LEU A 301 0.768 10.545 2.255 1.00 0.00 C ATOM 0 H LEU A 301 -3.151 7.492 2.144 1.00 0.00 H new ATOM 0 HA LEU A 301 -1.050 7.300 4.191 1.00 0.00 H new ATOM 0 HB2 LEU A 301 -0.763 8.174 1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 301 -1.620 9.600 2.310 1.00 0.00 H new ATOM 0 HG LEU A 301 0.187 9.756 4.149 1.00 0.00 H new ATOM 0 HD11 LEU A 301 2.355 8.760 3.541 1.00 0.00 H new ATOM 0 HD12 LEU A 301 1.122 7.516 3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 301 1.580 7.912 2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 301 1.706 10.958 2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 301 0.905 10.195 1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 301 -0.001 11.317 2.274 1.00 0.00 H new ATOM 910 N THR A 302 -3.520 9.502 4.167 1.00 0.00 N ATOM 911 CA THR A 302 -4.300 10.394 5.016 1.00 0.00 C ATOM 912 C THR A 302 -4.779 9.677 6.273 1.00 0.00 C ATOM 913 O THR A 302 -4.564 10.149 7.390 1.00 0.00 O ATOM 914 CB THR A 302 -5.519 10.961 4.265 1.00 0.00 C ATOM 915 OG1 THR A 302 -5.093 11.924 3.294 1.00 0.00 O ATOM 916 CG2 THR A 302 -6.498 11.609 5.233 1.00 0.00 C ATOM 0 H THR A 302 -3.846 9.447 3.202 1.00 0.00 H new ATOM 0 HA THR A 302 -3.643 11.216 5.299 1.00 0.00 H new ATOM 0 HB THR A 302 -6.023 10.136 3.761 1.00 0.00 H new ATOM 0 HG1 THR A 302 -5.873 12.404 2.945 1.00 0.00 H new ATOM 0 HG21 THR A 302 -7.351 12.002 4.679 1.00 0.00 H new ATOM 0 HG22 THR A 302 -6.844 10.867 5.952 1.00 0.00 H new ATOM 0 HG23 THR A 302 -6.002 12.423 5.762 1.00 0.00 H new ATOM 924 N THR A 303 -5.430 8.534 6.084 1.00 0.00 N ATOM 925 CA THR A 303 -5.941 7.752 7.203 1.00 0.00 C ATOM 926 C THR A 303 -4.880 6.794 7.733 1.00 0.00 C ATOM 927 O THR A 303 -4.578 6.786 8.926 1.00 0.00 O ATOM 928 CB THR A 303 -7.190 6.945 6.801 1.00 0.00 C ATOM 929 OG1 THR A 303 -6.827 5.901 5.890 1.00 0.00 O ATOM 930 CG2 THR A 303 -8.232 7.847 6.157 1.00 0.00 C ATOM 0 H THR A 303 -5.616 8.129 5.167 1.00 0.00 H new ATOM 0 HA THR A 303 -6.212 8.460 7.986 1.00 0.00 H new ATOM 0 HB THR A 303 -7.618 6.507 7.703 1.00 0.00 H new ATOM 0 HG1 THR A 303 -7.626 5.392 5.641 1.00 0.00 H new ATOM 0 HG21 THR A 303 -9.105 7.255 5.881 1.00 0.00 H new ATOM 0 HG22 THR A 303 -8.528 8.623 6.863 1.00 0.00 H new ATOM 0 HG23 THR A 303 -7.811 8.310 5.264 1.00 0.00 H new ATOM 938 N GLY A 304 -4.317 5.987 6.839 1.00 0.00 N ATOM 939 CA GLY A 304 -3.296 5.036 7.237 1.00 0.00 C ATOM 940 C GLY A 304 -3.791 3.604 7.200 1.00 0.00 C ATOM 941 O GLY A 304 -3.073 2.682 7.591 1.00 0.00 O ATOM 0 H GLY A 304 -4.550 5.975 5.846 1.00 0.00 H new ATOM 0 HA2 GLY A 304 -2.434 5.136 6.578 1.00 0.00 H new ATOM 0 HA3 GLY A 304 -2.956 5.274 8.245 1.00 0.00 H new ATOM 945 N CYS A 305 -5.019 3.416 6.732 1.00 0.00 N ATOM 946 CA CYS A 305 -5.611 2.085 6.649 1.00 0.00 C ATOM 947 C CYS A 305 -5.065 1.322 5.447 1.00 0.00 C ATOM 948 O CYS A 305 -4.430 1.902 4.567 1.00 0.00 O ATOM 949 CB CYS A 305 -7.134 2.187 6.555 1.00 0.00 C ATOM 950 SG CYS A 305 -8.000 0.641 6.915 1.00 0.00 S ATOM 0 H CYS A 305 -5.625 4.168 6.404 1.00 0.00 H new ATOM 0 HA CYS A 305 -5.346 1.539 7.554 1.00 0.00 H new ATOM 0 HB2 CYS A 305 -7.480 2.955 7.248 1.00 0.00 H new ATOM 0 HB3 CYS A 305 -7.404 2.518 5.552 1.00 0.00 H new ATOM 0 HG CYS A 305 -9.282 0.828 6.812 1.00 0.00 H new ATOM 956 N SER A 306 -5.315 0.016 5.418 1.00 0.00 N ATOM 957 CA SER A 306 -4.843 -0.828 4.327 1.00 0.00 C ATOM 958 C SER A 306 -5.947 -1.768 3.852 1.00 0.00 C ATOM 959 O SER A 306 -6.792 -2.198 4.635 1.00 0.00 O ATOM 960 CB SER A 306 -3.624 -1.639 4.772 1.00 0.00 C ATOM 961 OG SER A 306 -3.946 -2.490 5.859 1.00 0.00 O ATOM 0 H SER A 306 -5.841 -0.480 6.137 1.00 0.00 H new ATOM 0 HA SER A 306 -4.557 -0.181 3.497 1.00 0.00 H new ATOM 0 HB2 SER A 306 -3.255 -2.234 3.937 1.00 0.00 H new ATOM 0 HB3 SER A 306 -2.820 -0.963 5.061 1.00 0.00 H new ATOM 0 HG SER A 306 -3.143 -2.975 6.144 1.00 0.00 H new ATOM 967 N GLY A 307 -5.932 -2.082 2.560 1.00 0.00 N ATOM 968 CA GLY A 307 -6.936 -2.968 2.000 1.00 0.00 C ATOM 969 C GLY A 307 -6.819 -3.100 0.495 1.00 0.00 C ATOM 970 O GLY A 307 -5.907 -2.540 -0.116 1.00 0.00 O ATOM 0 H GLY A 307 -5.243 -1.739 1.891 1.00 0.00 H new ATOM 0 HA2 GLY A 307 -6.842 -3.953 2.456 1.00 0.00 H new ATOM 0 HA3 GLY A 307 -7.928 -2.594 2.253 1.00 0.00 H new ATOM 974 N LEU A 308 -7.742 -3.843 -0.106 1.00 0.00 N ATOM 975 CA LEU A 308 -7.737 -4.049 -1.550 1.00 0.00 C ATOM 976 C LEU A 308 -8.534 -2.958 -2.258 1.00 0.00 C ATOM 977 O LEU A 308 -9.614 -2.572 -1.808 1.00 0.00 O ATOM 978 CB LEU A 308 -8.317 -5.422 -1.891 1.00 0.00 C ATOM 979 CG LEU A 308 -7.318 -6.579 -1.941 1.00 0.00 C ATOM 980 CD1 LEU A 308 -8.048 -7.912 -2.007 1.00 0.00 C ATOM 981 CD2 LEU A 308 -6.381 -6.423 -3.129 1.00 0.00 C ATOM 0 H LEU A 308 -8.503 -4.313 0.384 1.00 0.00 H new ATOM 0 HA LEU A 308 -6.704 -4.002 -1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 308 -9.085 -5.663 -1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 308 -8.813 -5.354 -2.859 1.00 0.00 H new ATOM 0 HG LEU A 308 -6.722 -6.559 -1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 308 -7.321 -8.724 -2.042 1.00 0.00 H new ATOM 0 HD12 LEU A 308 -8.677 -8.026 -1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 308 -8.669 -7.943 -2.902 1.00 0.00 H new ATOM 0 HD21 LEU A 308 -5.677 -7.255 -3.149 1.00 0.00 H new ATOM 0 HD22 LEU A 308 -6.961 -6.417 -4.052 1.00 0.00 H new ATOM 0 HD23 LEU A 308 -5.832 -5.486 -3.039 1.00 0.00 H new ATOM 993 N LEU A 309 -7.996 -2.465 -3.368 1.00 0.00 N ATOM 994 CA LEU A 309 -8.658 -1.420 -4.141 1.00 0.00 C ATOM 995 C LEU A 309 -8.475 -1.650 -5.637 1.00 0.00 C ATOM 996 O LEU A 309 -7.529 -2.302 -6.079 1.00 0.00 O ATOM 997 CB LEU A 309 -8.108 -0.046 -3.753 1.00 0.00 C ATOM 998 CG LEU A 309 -6.601 0.028 -3.507 1.00 0.00 C ATOM 999 CD1 LEU A 309 -6.108 1.461 -3.638 1.00 0.00 C ATOM 1000 CD2 LEU A 309 -6.255 -0.533 -2.136 1.00 0.00 C ATOM 0 H LEU A 309 -7.103 -2.772 -3.753 1.00 0.00 H new ATOM 0 HA LEU A 309 -9.724 -1.455 -3.915 1.00 0.00 H new ATOM 0 HB2 LEU A 309 -8.362 0.661 -4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 309 -8.620 0.287 -2.850 1.00 0.00 H new ATOM 0 HG LEU A 309 -6.100 -0.578 -4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 309 -5.033 1.494 -3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 309 -6.321 1.829 -4.642 1.00 0.00 H new ATOM 0 HD13 LEU A 309 -6.617 2.089 -2.907 1.00 0.00 H new ATOM 0 HD21 LEU A 309 -5.178 -0.472 -1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 309 -6.767 0.045 -1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 309 -6.571 -1.574 -2.079 1.00 0.00 H new ATOM 1012 N PRO A 310 -9.399 -1.099 -6.439 1.00 0.00 N ATOM 1013 CA PRO A 310 -9.360 -1.228 -7.898 1.00 0.00 C ATOM 1014 C PRO A 310 -8.211 -0.441 -8.519 1.00 0.00 C ATOM 1015 O PRO A 310 -8.089 0.765 -8.308 1.00 0.00 O ATOM 1016 CB PRO A 310 -10.706 -0.650 -8.342 1.00 0.00 C ATOM 1017 CG PRO A 310 -11.093 0.288 -7.252 1.00 0.00 C ATOM 1018 CD PRO A 310 -10.554 -0.308 -5.981 1.00 0.00 C ATOM 0 HA PRO A 310 -9.200 -2.260 -8.212 1.00 0.00 H new ATOM 0 HB2 PRO A 310 -10.619 -0.132 -9.297 1.00 0.00 H new ATOM 0 HB3 PRO A 310 -11.451 -1.435 -8.472 1.00 0.00 H new ATOM 0 HG2 PRO A 310 -10.676 1.280 -7.425 1.00 0.00 H new ATOM 0 HG3 PRO A 310 -12.176 0.401 -7.201 1.00 0.00 H new ATOM 0 HD2 PRO A 310 -10.257 0.463 -5.270 1.00 0.00 H new ATOM 0 HD3 PRO A 310 -11.296 -0.932 -5.483 1.00 0.00 H new ATOM 1026 N GLU A 311 -7.372 -1.131 -9.286 1.00 0.00 N ATOM 1027 CA GLU A 311 -6.233 -0.494 -9.936 1.00 0.00 C ATOM 1028 C GLU A 311 -6.697 0.588 -10.908 1.00 0.00 C ATOM 1029 O GLU A 311 -5.888 1.349 -11.437 1.00 0.00 O ATOM 1030 CB GLU A 311 -5.393 -1.536 -10.678 1.00 0.00 C ATOM 1031 CG GLU A 311 -5.939 -1.892 -12.051 1.00 0.00 C ATOM 1032 CD GLU A 311 -4.965 -2.717 -12.870 1.00 0.00 C ATOM 1033 OE1 GLU A 311 -4.555 -3.796 -12.394 1.00 0.00 O ATOM 1034 OE2 GLU A 311 -4.614 -2.282 -13.987 1.00 0.00 O ATOM 0 H GLU A 311 -7.460 -2.130 -9.472 1.00 0.00 H new ATOM 0 HA GLU A 311 -5.621 -0.027 -9.165 1.00 0.00 H new ATOM 0 HB2 GLU A 311 -4.376 -1.160 -10.787 1.00 0.00 H new ATOM 0 HB3 GLU A 311 -5.335 -2.441 -10.073 1.00 0.00 H new ATOM 0 HG2 GLU A 311 -6.871 -2.446 -11.935 1.00 0.00 H new ATOM 0 HG3 GLU A 311 -6.178 -0.976 -12.592 1.00 0.00 H new ATOM 1041 N ASN A 312 -8.004 0.647 -11.139 1.00 0.00 N ATOM 1042 CA ASN A 312 -8.576 1.634 -12.047 1.00 0.00 C ATOM 1043 C ASN A 312 -9.067 2.858 -11.282 1.00 0.00 C ATOM 1044 O ASN A 312 -9.916 3.607 -11.766 1.00 0.00 O ATOM 1045 CB ASN A 312 -9.731 1.018 -12.841 1.00 0.00 C ATOM 1046 CG ASN A 312 -9.247 0.111 -13.956 1.00 0.00 C ATOM 1047 OD1 ASN A 312 -8.069 0.125 -14.315 1.00 0.00 O ATOM 1048 ND2 ASN A 312 -10.156 -0.683 -14.509 1.00 0.00 N ATOM 0 H ASN A 312 -8.687 0.023 -10.710 1.00 0.00 H new ATOM 0 HA ASN A 312 -7.795 1.950 -12.739 1.00 0.00 H new ATOM 0 HB2 ASN A 312 -10.370 0.449 -12.165 1.00 0.00 H new ATOM 0 HB3 ASN A 312 -10.343 1.815 -13.264 1.00 0.00 H new ATOM 0 HD21 ASN A 312 -9.889 -1.315 -15.264 1.00 0.00 H new ATOM 0 HD22 ASN A 312 -11.121 -0.661 -14.179 1.00 0.00 H new ATOM 1055 N TYR A 313 -8.527 3.056 -10.084 1.00 0.00 N ATOM 1056 CA TYR A 313 -8.911 4.189 -9.250 1.00 0.00 C ATOM 1057 C TYR A 313 -7.680 4.950 -8.765 1.00 0.00 C ATOM 1058 O TYR A 313 -7.796 5.958 -8.068 1.00 0.00 O ATOM 1059 CB TYR A 313 -9.734 3.712 -8.053 1.00 0.00 C ATOM 1060 CG TYR A 313 -11.171 3.389 -8.396 1.00 0.00 C ATOM 1061 CD1 TYR A 313 -11.479 2.426 -9.349 1.00 0.00 C ATOM 1062 CD2 TYR A 313 -12.221 4.048 -7.769 1.00 0.00 C ATOM 1063 CE1 TYR A 313 -12.790 2.129 -9.667 1.00 0.00 C ATOM 1064 CE2 TYR A 313 -13.535 3.756 -8.079 1.00 0.00 C ATOM 1065 CZ TYR A 313 -13.814 2.796 -9.028 1.00 0.00 C ATOM 1066 OH TYR A 313 -15.122 2.503 -9.341 1.00 0.00 O ATOM 0 H TYR A 313 -7.822 2.447 -9.669 1.00 0.00 H new ATOM 0 HA TYR A 313 -9.518 4.863 -9.854 1.00 0.00 H new ATOM 0 HB2 TYR A 313 -9.263 2.826 -7.629 1.00 0.00 H new ATOM 0 HB3 TYR A 313 -9.718 4.482 -7.282 1.00 0.00 H new ATOM 0 HD1 TYR A 313 -10.679 1.900 -9.850 1.00 0.00 H new ATOM 0 HD2 TYR A 313 -12.006 4.802 -7.026 1.00 0.00 H new ATOM 0 HE1 TYR A 313 -13.012 1.379 -10.412 1.00 0.00 H new ATOM 0 HE2 TYR A 313 -14.339 4.277 -7.581 1.00 0.00 H new ATOM 0 HH TYR A 313 -15.720 3.060 -8.801 1.00 0.00 H new ATOM 1076 N ILE A 314 -6.504 4.459 -9.139 1.00 0.00 N ATOM 1077 CA ILE A 314 -5.252 5.092 -8.744 1.00 0.00 C ATOM 1078 C ILE A 314 -4.322 5.265 -9.940 1.00 0.00 C ATOM 1079 O ILE A 314 -4.680 4.939 -11.072 1.00 0.00 O ATOM 1080 CB ILE A 314 -4.527 4.277 -7.657 1.00 0.00 C ATOM 1081 CG1 ILE A 314 -4.392 2.815 -8.090 1.00 0.00 C ATOM 1082 CG2 ILE A 314 -5.271 4.377 -6.335 1.00 0.00 C ATOM 1083 CD1 ILE A 314 -3.175 2.548 -8.947 1.00 0.00 C ATOM 0 H ILE A 314 -6.392 3.625 -9.715 1.00 0.00 H new ATOM 0 HA ILE A 314 -5.508 6.072 -8.341 1.00 0.00 H new ATOM 0 HB ILE A 314 -3.527 4.690 -7.520 1.00 0.00 H new ATOM 0 HG12 ILE A 314 -4.346 2.184 -7.202 1.00 0.00 H new ATOM 0 HG13 ILE A 314 -5.286 2.524 -8.642 1.00 0.00 H new ATOM 0 HG21 ILE A 314 -4.746 3.796 -5.577 1.00 0.00 H new ATOM 0 HG22 ILE A 314 -5.320 5.420 -6.023 1.00 0.00 H new ATOM 0 HG23 ILE A 314 -6.282 3.987 -6.456 1.00 0.00 H new ATOM 0 HD11 ILE A 314 -3.144 1.492 -9.216 1.00 0.00 H new ATOM 0 HD12 ILE A 314 -3.228 3.152 -9.853 1.00 0.00 H new ATOM 0 HD13 ILE A 314 -2.274 2.807 -8.391 1.00 0.00 H new ATOM 1095 N THR A 315 -3.123 5.778 -9.681 1.00 0.00 N ATOM 1096 CA THR A 315 -2.140 5.993 -10.736 1.00 0.00 C ATOM 1097 C THR A 315 -0.729 6.072 -10.164 1.00 0.00 C ATOM 1098 O THR A 315 -0.544 6.279 -8.964 1.00 0.00 O ATOM 1099 CB THR A 315 -2.435 7.283 -11.524 1.00 0.00 C ATOM 1100 OG1 THR A 315 -1.666 7.305 -12.732 1.00 0.00 O ATOM 1101 CG2 THR A 315 -2.114 8.513 -10.690 1.00 0.00 C ATOM 0 H THR A 315 -2.809 6.052 -8.750 1.00 0.00 H new ATOM 0 HA THR A 315 -2.209 5.140 -11.411 1.00 0.00 H new ATOM 0 HB THR A 315 -3.497 7.298 -11.769 1.00 0.00 H new ATOM 0 HG1 THR A 315 -1.860 8.127 -13.228 1.00 0.00 H new ATOM 0 HG21 THR A 315 -2.331 9.411 -11.268 1.00 0.00 H new ATOM 0 HG22 THR A 315 -2.722 8.508 -9.786 1.00 0.00 H new ATOM 0 HG23 THR A 315 -1.059 8.503 -10.418 1.00 0.00 H new ATOM 1109 N LYS A 316 0.265 5.908 -11.030 1.00 0.00 N ATOM 1110 CA LYS A 316 1.661 5.963 -10.613 1.00 0.00 C ATOM 1111 C LYS A 316 2.008 7.339 -10.054 1.00 0.00 C ATOM 1112 O LYS A 316 1.520 8.358 -10.542 1.00 0.00 O ATOM 1113 CB LYS A 316 2.581 5.632 -11.790 1.00 0.00 C ATOM 1114 CG LYS A 316 2.896 4.152 -11.919 1.00 0.00 C ATOM 1115 CD LYS A 316 1.747 3.391 -12.559 1.00 0.00 C ATOM 1116 CE LYS A 316 0.774 2.866 -11.514 1.00 0.00 C ATOM 1117 NZ LYS A 316 -0.054 1.746 -12.039 1.00 0.00 N ATOM 0 H LYS A 316 0.129 5.736 -12.026 1.00 0.00 H new ATOM 0 HA LYS A 316 1.808 5.223 -9.826 1.00 0.00 H new ATOM 0 HB2 LYS A 316 2.115 5.977 -12.713 1.00 0.00 H new ATOM 0 HB3 LYS A 316 3.514 6.185 -11.678 1.00 0.00 H new ATOM 0 HG2 LYS A 316 3.798 4.022 -12.517 1.00 0.00 H new ATOM 0 HG3 LYS A 316 3.105 3.736 -10.933 1.00 0.00 H new ATOM 0 HD2 LYS A 316 1.219 4.044 -13.253 1.00 0.00 H new ATOM 0 HD3 LYS A 316 2.141 2.558 -13.142 1.00 0.00 H new ATOM 0 HE2 LYS A 316 1.329 2.528 -10.639 1.00 0.00 H new ATOM 0 HE3 LYS A 316 0.123 3.676 -11.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 316 -0.704 1.417 -11.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 316 -0.603 2.075 -12.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 316 0.565 0.963 -12.329 1.00 0.00 H new ATOM 1131 N ALA A 317 2.855 7.361 -9.030 1.00 0.00 N ATOM 1132 CA ALA A 317 3.270 8.612 -8.408 1.00 0.00 C ATOM 1133 C ALA A 317 3.955 9.527 -9.418 1.00 0.00 C ATOM 1134 O ALA A 317 5.158 9.416 -9.654 1.00 0.00 O ATOM 1135 CB ALA A 317 4.194 8.336 -7.232 1.00 0.00 C ATOM 0 H ALA A 317 3.267 6.526 -8.614 1.00 0.00 H new ATOM 0 HA ALA A 317 2.378 9.121 -8.043 1.00 0.00 H new ATOM 0 HB1 ALA A 317 4.496 9.279 -6.777 1.00 0.00 H new ATOM 0 HB2 ALA A 317 3.671 7.728 -6.494 1.00 0.00 H new ATOM 0 HB3 ALA A 317 5.078 7.802 -7.581 1.00 0.00 H new