USER MOD reduce.3.24.130724 H: found=0, std=0, add=330, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 328 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 284 SER OG : rot 180:sc= 0.459 USER MOD Set 1.2: A 287 GLN : amide:sc= 0.961 K(o=1.4,f=0.91) USER MOD Set 2.1: A 259 CYS SG : rot -174:sc= 1.14 USER MOD Set 2.2: A 264 CYS SG : rot 149:sc= 2.26 USER MOD Set 2.3: A 266 LYS NZ :NH3+ -101:sc= 1.34 (180deg=-0.123) USER MOD Set 2.4: A 285 CYS SG : rot 61:sc= 2.85 USER MOD Set 2.5: A 296 CYS SG : rot -11:sc= 1.27 USER MOD Single : A 258 GLN : amide:sc= 1.34 K(o=1.3,f=-4.8!) USER MOD Single : A 260 SER OG : rot 180:sc= 0 USER MOD Single : A 263 ASN : amide:sc= 0.0831 K(o=0.083,f=-1.2) USER MOD Single : A 277 SER OG : rot 180:sc= 0 USER MOD Single : A 282 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 288 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.5) USER MOD Single : A 289 THR OG1 : rot 170:sc= 0.0128 USER MOD Single : A 292 GLN : amide:sc= 1.02 K(o=1,f=-4.8!) USER MOD Single : A 293 TYR OH : rot 180:sc= 0 USER MOD Single : A 294 ASN : amide:sc= -0.198 K(o=-0.2,f=-1) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 194 N VAL A 255 1.475 0.543 -5.125 1.00 0.00 N ATOM 195 CA VAL A 255 0.131 1.019 -4.735 1.00 0.00 C ATOM 196 C VAL A 255 -0.053 0.818 -3.229 1.00 0.00 C ATOM 197 O VAL A 255 0.293 -0.239 -2.700 1.00 0.00 O ATOM 198 CB VAL A 255 -0.991 0.282 -5.512 1.00 0.00 C ATOM 199 CG1 VAL A 255 -2.400 0.756 -5.104 1.00 0.00 C ATOM 200 CG2 VAL A 255 -0.848 0.476 -7.031 1.00 0.00 C ATOM 0 HA VAL A 255 0.056 2.077 -4.985 1.00 0.00 H new ATOM 0 HB VAL A 255 -0.878 -0.771 -5.255 1.00 0.00 H new ATOM 0 HG11 VAL A 255 -3.148 0.209 -5.677 1.00 0.00 H new ATOM 0 HG12 VAL A 255 -2.552 0.572 -4.040 1.00 0.00 H new ATOM 0 HG13 VAL A 255 -2.497 1.823 -5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 255 -1.651 -0.054 -7.543 1.00 0.00 H new ATOM 0 HG22 VAL A 255 -0.905 1.538 -7.269 1.00 0.00 H new ATOM 0 HG23 VAL A 255 0.114 0.082 -7.359 1.00 0.00 H new ATOM 210 N TRP A 256 -0.634 1.816 -2.557 1.00 0.00 N ATOM 211 CA TRP A 256 -1.009 1.757 -1.141 1.00 0.00 C ATOM 212 C TRP A 256 -2.485 2.144 -0.939 1.00 0.00 C ATOM 213 O TRP A 256 -3.028 2.989 -1.657 1.00 0.00 O ATOM 214 CB TRP A 256 -0.114 2.685 -0.308 1.00 0.00 C ATOM 215 CG TRP A 256 1.355 2.407 -0.245 1.00 0.00 C ATOM 216 CD1 TRP A 256 2.249 2.693 -1.219 1.00 0.00 C ATOM 217 CD2 TRP A 256 2.133 1.810 0.845 1.00 0.00 C ATOM 218 NE1 TRP A 256 3.518 2.395 -0.782 1.00 0.00 N ATOM 219 CE2 TRP A 256 3.503 1.770 0.442 1.00 0.00 C ATOM 220 CE3 TRP A 256 1.827 1.276 2.120 1.00 0.00 C ATOM 221 CZ2 TRP A 256 4.506 1.183 1.226 1.00 0.00 C ATOM 222 CZ3 TRP A 256 2.821 0.650 2.901 1.00 0.00 C ATOM 223 CH2 TRP A 256 4.152 0.596 2.450 1.00 0.00 C ATOM 0 H TRP A 256 -0.862 2.709 -2.993 1.00 0.00 H new ATOM 0 HA TRP A 256 -0.871 0.729 -0.806 1.00 0.00 H new ATOM 0 HB2 TRP A 256 -0.242 3.697 -0.691 1.00 0.00 H new ATOM 0 HB3 TRP A 256 -0.494 2.680 0.713 1.00 0.00 H new ATOM 0 HD1 TRP A 256 2.003 3.094 -2.191 1.00 0.00 H new ATOM 0 HE1 TRP A 256 4.368 2.612 -1.303 1.00 0.00 H new ATOM 0 HE3 TRP A 256 0.819 1.349 2.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 256 5.534 1.183 0.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 256 2.558 0.209 3.851 1.00 0.00 H new ATOM 0 HH2 TRP A 256 4.904 0.101 3.047 1.00 0.00 H new ATOM 234 N VAL A 257 -3.108 1.550 0.080 1.00 0.00 N ATOM 235 CA VAL A 257 -4.535 1.697 0.428 1.00 0.00 C ATOM 236 C VAL A 257 -4.703 2.003 1.914 1.00 0.00 C ATOM 237 O VAL A 257 -4.052 1.372 2.746 1.00 0.00 O ATOM 238 CB VAL A 257 -5.345 0.423 0.090 1.00 0.00 C ATOM 239 CG1 VAL A 257 -5.783 0.433 -1.373 1.00 0.00 C ATOM 240 CG2 VAL A 257 -4.590 -0.883 0.385 1.00 0.00 C ATOM 0 H VAL A 257 -2.616 0.924 0.718 1.00 0.00 H new ATOM 0 HA VAL A 257 -4.917 2.526 -0.168 1.00 0.00 H new ATOM 0 HB VAL A 257 -6.216 0.446 0.745 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -6.351 -0.472 -1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -6.407 1.307 -1.560 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -4.904 0.471 -2.016 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -5.219 -1.734 0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -3.674 -0.915 -0.204 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -4.341 -0.928 1.445 1.00 0.00 H new ATOM 250 N GLN A 258 -5.568 2.968 2.240 1.00 0.00 N ATOM 251 CA GLN A 258 -5.851 3.371 3.618 1.00 0.00 C ATOM 252 C GLN A 258 -7.096 2.663 4.168 1.00 0.00 C ATOM 253 O GLN A 258 -8.148 2.647 3.522 1.00 0.00 O ATOM 254 CB GLN A 258 -6.004 4.896 3.711 1.00 0.00 C ATOM 255 CG GLN A 258 -6.068 5.370 5.176 1.00 0.00 C ATOM 256 CD GLN A 258 -6.066 6.891 5.320 1.00 0.00 C ATOM 257 OE1 GLN A 258 -6.829 7.607 4.686 1.00 0.00 O ATOM 258 NE2 GLN A 258 -5.235 7.444 6.177 1.00 0.00 N ATOM 0 H GLN A 258 -6.097 3.496 1.546 1.00 0.00 H new ATOM 0 HA GLN A 258 -5.004 3.069 4.234 1.00 0.00 H new ATOM 0 HB2 GLN A 258 -5.166 5.378 3.208 1.00 0.00 H new ATOM 0 HB3 GLN A 258 -6.909 5.204 3.188 1.00 0.00 H new ATOM 0 HG2 GLN A 258 -6.969 4.969 5.641 1.00 0.00 H new ATOM 0 HG3 GLN A 258 -5.218 4.959 5.721 1.00 0.00 H new ATOM 0 HE21 GLN A 258 -4.593 6.861 6.713 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -5.233 8.456 6.305 1.00 0.00 H new ATOM 267 N CYS A 259 -6.972 2.130 5.387 1.00 0.00 N ATOM 268 CA CYS A 259 -8.040 1.491 6.150 1.00 0.00 C ATOM 269 C CYS A 259 -9.275 2.404 6.327 1.00 0.00 C ATOM 270 O CYS A 259 -9.159 3.598 6.627 1.00 0.00 O ATOM 271 CB CYS A 259 -7.444 1.084 7.504 1.00 0.00 C ATOM 272 SG CYS A 259 -8.550 -0.085 8.337 1.00 0.00 S ATOM 0 H CYS A 259 -6.084 2.134 5.888 1.00 0.00 H new ATOM 0 HA CYS A 259 -8.407 0.619 5.608 1.00 0.00 H new ATOM 0 HB2 CYS A 259 -6.464 0.630 7.358 1.00 0.00 H new ATOM 0 HB3 CYS A 259 -7.297 1.966 8.127 1.00 0.00 H new ATOM 0 HG CYS A 259 -8.107 -0.323 9.536 1.00 0.00 H new ATOM 277 N SER A 260 -10.470 1.841 6.151 1.00 0.00 N ATOM 278 CA SER A 260 -11.756 2.548 6.265 1.00 0.00 C ATOM 279 C SER A 260 -12.092 3.012 7.694 1.00 0.00 C ATOM 280 O SER A 260 -12.848 3.976 7.859 1.00 0.00 O ATOM 281 CB SER A 260 -12.903 1.677 5.728 1.00 0.00 C ATOM 282 OG SER A 260 -12.976 0.424 6.397 1.00 0.00 O ATOM 0 H SER A 260 -10.579 0.854 5.919 1.00 0.00 H new ATOM 0 HA SER A 260 -11.646 3.448 5.660 1.00 0.00 H new ATOM 0 HB2 SER A 260 -13.848 2.207 5.847 1.00 0.00 H new ATOM 0 HB3 SER A 260 -12.763 1.511 4.660 1.00 0.00 H new ATOM 0 HG SER A 260 -13.718 -0.100 6.029 1.00 0.00 H new ATOM 288 N PHE A 261 -11.528 2.376 8.730 1.00 0.00 N ATOM 289 CA PHE A 261 -11.748 2.763 10.119 1.00 0.00 C ATOM 290 C PHE A 261 -10.934 4.011 10.508 1.00 0.00 C ATOM 291 O PHE A 261 -9.734 4.075 10.220 1.00 0.00 O ATOM 292 CB PHE A 261 -11.423 1.594 11.051 1.00 0.00 C ATOM 293 CG PHE A 261 -12.359 0.412 10.934 1.00 0.00 C ATOM 294 CD1 PHE A 261 -13.668 0.497 11.445 1.00 0.00 C ATOM 295 CD2 PHE A 261 -11.914 -0.780 10.336 1.00 0.00 C ATOM 296 CE1 PHE A 261 -14.529 -0.613 11.352 1.00 0.00 C ATOM 297 CE2 PHE A 261 -12.769 -1.891 10.256 1.00 0.00 C ATOM 298 CZ PHE A 261 -14.079 -1.808 10.761 1.00 0.00 C ATOM 0 H PHE A 261 -10.905 1.576 8.621 1.00 0.00 H new ATOM 0 HA PHE A 261 -12.801 3.022 10.226 1.00 0.00 H new ATOM 0 HB2 PHE A 261 -10.407 1.257 10.847 1.00 0.00 H new ATOM 0 HB3 PHE A 261 -11.440 1.952 12.080 1.00 0.00 H new ATOM 0 HD1 PHE A 261 -14.011 1.411 11.907 1.00 0.00 H new ATOM 0 HD2 PHE A 261 -10.912 -0.841 9.937 1.00 0.00 H new ATOM 0 HE1 PHE A 261 -15.537 -0.547 11.735 1.00 0.00 H new ATOM 0 HE2 PHE A 261 -12.421 -2.809 9.807 1.00 0.00 H new ATOM 0 HZ PHE A 261 -14.739 -2.661 10.695 1.00 0.00 H new ATOM 308 N PRO A 262 -11.555 4.975 11.213 1.00 0.00 N ATOM 309 CA PRO A 262 -10.921 6.225 11.624 1.00 0.00 C ATOM 310 C PRO A 262 -9.885 6.021 12.737 1.00 0.00 C ATOM 311 O PRO A 262 -8.876 6.722 12.781 1.00 0.00 O ATOM 312 CB PRO A 262 -12.082 7.098 12.101 1.00 0.00 C ATOM 313 CG PRO A 262 -13.117 6.103 12.623 1.00 0.00 C ATOM 314 CD PRO A 262 -12.934 4.922 11.680 1.00 0.00 C ATOM 0 HA PRO A 262 -10.360 6.677 10.806 1.00 0.00 H new ATOM 0 HB2 PRO A 262 -11.765 7.788 12.883 1.00 0.00 H new ATOM 0 HB3 PRO A 262 -12.486 7.701 11.288 1.00 0.00 H new ATOM 0 HG2 PRO A 262 -12.930 5.828 13.661 1.00 0.00 H new ATOM 0 HG3 PRO A 262 -14.128 6.507 12.578 1.00 0.00 H new ATOM 0 HD2 PRO A 262 -13.134 3.981 12.193 1.00 0.00 H new ATOM 0 HD3 PRO A 262 -13.630 4.983 10.843 1.00 0.00 H new ATOM 322 N ASN A 263 -10.105 5.026 13.604 1.00 0.00 N ATOM 323 CA ASN A 263 -9.168 4.598 14.651 1.00 0.00 C ATOM 324 C ASN A 263 -7.989 3.748 14.118 1.00 0.00 C ATOM 325 O ASN A 263 -7.074 3.419 14.878 1.00 0.00 O ATOM 326 CB ASN A 263 -9.952 3.858 15.747 1.00 0.00 C ATOM 327 CG ASN A 263 -10.614 2.582 15.238 1.00 0.00 C ATOM 328 OD1 ASN A 263 -11.658 2.622 14.598 1.00 0.00 O ATOM 329 ND2 ASN A 263 -10.027 1.425 15.486 1.00 0.00 N ATOM 0 H ASN A 263 -10.966 4.479 13.597 1.00 0.00 H new ATOM 0 HA ASN A 263 -8.701 5.491 15.067 1.00 0.00 H new ATOM 0 HB2 ASN A 263 -9.277 3.610 16.566 1.00 0.00 H new ATOM 0 HB3 ASN A 263 -10.716 4.522 16.153 1.00 0.00 H new ATOM 0 HD21 ASN A 263 -10.443 0.559 15.144 1.00 0.00 H new ATOM 0 HD22 ASN A 263 -9.158 1.398 16.019 1.00 0.00 H new ATOM 336 N CYS A 264 -8.005 3.417 12.821 1.00 0.00 N ATOM 337 CA CYS A 264 -6.901 2.804 12.087 1.00 0.00 C ATOM 338 C CYS A 264 -6.195 3.892 11.263 1.00 0.00 C ATOM 339 O CYS A 264 -5.158 4.414 11.679 1.00 0.00 O ATOM 340 CB CYS A 264 -7.451 1.658 11.220 1.00 0.00 C ATOM 341 SG CYS A 264 -6.390 0.192 11.260 1.00 0.00 S ATOM 0 H CYS A 264 -8.823 3.577 12.234 1.00 0.00 H new ATOM 0 HA CYS A 264 -6.162 2.371 12.762 1.00 0.00 H new ATOM 0 HB2 CYS A 264 -8.449 1.390 11.567 1.00 0.00 H new ATOM 0 HB3 CYS A 264 -7.553 2.001 10.191 1.00 0.00 H new ATOM 0 HG CYS A 264 -7.118 -0.875 11.111 1.00 0.00 H new ATOM 346 N GLY A 265 -6.760 4.223 10.092 1.00 0.00 N ATOM 347 CA GLY A 265 -6.176 5.140 9.118 1.00 0.00 C ATOM 348 C GLY A 265 -4.840 4.647 8.556 1.00 0.00 C ATOM 349 O GLY A 265 -4.095 5.432 7.970 1.00 0.00 O ATOM 0 H GLY A 265 -7.660 3.847 9.794 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -6.878 5.284 8.297 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -6.030 6.113 9.586 1.00 0.00 H new ATOM 353 N LYS A 266 -4.521 3.363 8.747 1.00 0.00 N ATOM 354 CA LYS A 266 -3.242 2.763 8.370 1.00 0.00 C ATOM 355 C LYS A 266 -3.142 2.553 6.856 1.00 0.00 C ATOM 356 O LYS A 266 -4.138 2.222 6.211 1.00 0.00 O ATOM 357 CB LYS A 266 -3.053 1.421 9.090 1.00 0.00 C ATOM 358 CG LYS A 266 -3.016 1.551 10.612 1.00 0.00 C ATOM 359 CD LYS A 266 -2.788 0.154 11.192 1.00 0.00 C ATOM 360 CE LYS A 266 -2.715 0.179 12.711 1.00 0.00 C ATOM 361 NZ LYS A 266 -4.020 0.553 13.321 1.00 0.00 N ATOM 0 H LYS A 266 -5.162 2.698 9.179 1.00 0.00 H new ATOM 0 HA LYS A 266 -2.454 3.453 8.670 1.00 0.00 H new ATOM 0 HB2 LYS A 266 -3.864 0.749 8.809 1.00 0.00 H new ATOM 0 HB3 LYS A 266 -2.125 0.961 8.749 1.00 0.00 H new ATOM 0 HG2 LYS A 266 -2.218 2.227 10.919 1.00 0.00 H new ATOM 0 HG3 LYS A 266 -3.951 1.971 10.983 1.00 0.00 H new ATOM 0 HD2 LYS A 266 -3.596 -0.507 10.878 1.00 0.00 H new ATOM 0 HD3 LYS A 266 -1.863 -0.260 10.790 1.00 0.00 H new ATOM 0 HE2 LYS A 266 -2.411 -0.802 13.076 1.00 0.00 H new ATOM 0 HE3 LYS A 266 -1.950 0.888 13.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 266 -3.996 1.553 13.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 266 -4.781 0.409 12.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 266 -4.196 -0.041 14.156 1.00 0.00 H new ATOM 375 N TRP A 267 -1.938 2.685 6.300 1.00 0.00 N ATOM 376 CA TRP A 267 -1.659 2.396 4.897 1.00 0.00 C ATOM 377 C TRP A 267 -1.022 1.011 4.773 1.00 0.00 C ATOM 378 O TRP A 267 -0.011 0.726 5.415 1.00 0.00 O ATOM 379 CB TRP A 267 -0.763 3.498 4.321 1.00 0.00 C ATOM 380 CG TRP A 267 -1.421 4.839 4.226 1.00 0.00 C ATOM 381 CD1 TRP A 267 -1.438 5.784 5.193 1.00 0.00 C ATOM 382 CD2 TRP A 267 -2.178 5.399 3.111 1.00 0.00 C ATOM 383 NE1 TRP A 267 -2.142 6.888 4.751 1.00 0.00 N ATOM 384 CE2 TRP A 267 -2.618 6.708 3.470 1.00 0.00 C ATOM 385 CE3 TRP A 267 -2.541 4.929 1.831 1.00 0.00 C ATOM 386 CZ2 TRP A 267 -3.367 7.513 2.599 1.00 0.00 C ATOM 387 CZ3 TRP A 267 -3.291 5.727 0.948 1.00 0.00 C ATOM 388 CH2 TRP A 267 -3.689 7.022 1.321 1.00 0.00 C ATOM 0 H TRP A 267 -1.119 3.000 6.820 1.00 0.00 H new ATOM 0 HA TRP A 267 -2.584 2.383 4.321 1.00 0.00 H new ATOM 0 HB2 TRP A 267 0.129 3.587 4.942 1.00 0.00 H new ATOM 0 HB3 TRP A 267 -0.431 3.198 3.327 1.00 0.00 H new ATOM 0 HD1 TRP A 267 -0.972 5.690 6.163 1.00 0.00 H new ATOM 0 HE1 TRP A 267 -2.291 7.732 5.304 1.00 0.00 H new ATOM 0 HE3 TRP A 267 -2.238 3.939 1.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 267 -3.692 8.496 2.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 267 -3.563 5.342 -0.024 1.00 0.00 H new ATOM 0 HH2 TRP A 267 -4.241 7.639 0.628 1.00 0.00 H new ATOM 399 N ARG A 268 -1.613 0.154 3.938 1.00 0.00 N ATOM 400 CA ARG A 268 -1.048 -1.143 3.555 1.00 0.00 C ATOM 401 C ARG A 268 -0.714 -1.124 2.062 1.00 0.00 C ATOM 402 O ARG A 268 -1.420 -0.483 1.272 1.00 0.00 O ATOM 403 CB ARG A 268 -2.013 -2.296 3.882 1.00 0.00 C ATOM 404 CG ARG A 268 -2.671 -2.274 5.272 1.00 0.00 C ATOM 405 CD ARG A 268 -1.718 -2.236 6.465 1.00 0.00 C ATOM 406 NE ARG A 268 -2.487 -2.404 7.705 1.00 0.00 N ATOM 407 CZ ARG A 268 -2.007 -2.496 8.932 1.00 0.00 C ATOM 408 NH1 ARG A 268 -0.753 -2.249 9.231 1.00 0.00 N ATOM 409 NH2 ARG A 268 -2.819 -2.833 9.896 1.00 0.00 N ATOM 0 H ARG A 268 -2.514 0.345 3.501 1.00 0.00 H new ATOM 0 HA ARG A 268 -0.138 -1.313 4.130 1.00 0.00 H new ATOM 0 HB2 ARG A 268 -2.804 -2.301 3.132 1.00 0.00 H new ATOM 0 HB3 ARG A 268 -1.469 -3.235 3.778 1.00 0.00 H new ATOM 0 HG2 ARG A 268 -3.326 -1.405 5.328 1.00 0.00 H new ATOM 0 HG3 ARG A 268 -3.304 -3.156 5.366 1.00 0.00 H new ATOM 0 HD2 ARG A 268 -0.973 -3.027 6.375 1.00 0.00 H new ATOM 0 HD3 ARG A 268 -1.178 -1.289 6.484 1.00 0.00 H new ATOM 0 HE ARG A 268 -3.501 -2.455 7.608 1.00 0.00 H new ATOM 0 HH11 ARG A 268 -0.099 -1.971 8.499 1.00 0.00 H new ATOM 0 HH12 ARG A 268 -0.432 -2.335 10.195 1.00 0.00 H new ATOM 0 HH21 ARG A 268 -3.801 -3.019 9.694 1.00 0.00 H new ATOM 0 HH22 ARG A 268 -2.471 -2.911 10.852 1.00 0.00 H new ATOM 423 N ARG A 269 0.374 -1.798 1.692 1.00 0.00 N ATOM 424 CA ARG A 269 0.852 -1.932 0.311 1.00 0.00 C ATOM 425 C ARG A 269 0.177 -3.103 -0.420 1.00 0.00 C ATOM 426 O ARG A 269 -0.216 -4.085 0.212 1.00 0.00 O ATOM 427 CB ARG A 269 2.381 -2.074 0.302 1.00 0.00 C ATOM 428 CG ARG A 269 2.896 -3.332 1.015 1.00 0.00 C ATOM 429 CD ARG A 269 4.427 -3.358 1.078 1.00 0.00 C ATOM 430 NE ARG A 269 4.927 -4.735 1.229 1.00 0.00 N ATOM 431 CZ ARG A 269 4.909 -5.479 2.328 1.00 0.00 C ATOM 432 NH1 ARG A 269 4.493 -5.047 3.496 1.00 0.00 N ATOM 433 NH2 ARG A 269 5.321 -6.724 2.270 1.00 0.00 N ATOM 0 H ARG A 269 0.968 -2.283 2.365 1.00 0.00 H new ATOM 0 HA ARG A 269 0.579 -1.028 -0.233 1.00 0.00 H new ATOM 0 HB2 ARG A 269 2.728 -2.087 -0.731 1.00 0.00 H new ATOM 0 HB3 ARG A 269 2.820 -1.196 0.775 1.00 0.00 H new ATOM 0 HG2 ARG A 269 2.489 -3.371 2.025 1.00 0.00 H new ATOM 0 HG3 ARG A 269 2.538 -4.219 0.493 1.00 0.00 H new ATOM 0 HD2 ARG A 269 4.839 -2.915 0.171 1.00 0.00 H new ATOM 0 HD3 ARG A 269 4.770 -2.749 1.914 1.00 0.00 H new ATOM 0 HE ARG A 269 5.332 -5.164 0.397 1.00 0.00 H new ATOM 0 HH11 ARG A 269 4.158 -4.089 3.596 1.00 0.00 H new ATOM 0 HH12 ARG A 269 4.504 -5.670 4.304 1.00 0.00 H new ATOM 0 HH21 ARG A 269 5.651 -7.111 1.386 1.00 0.00 H new ATOM 0 HH22 ARG A 269 5.311 -7.304 3.109 1.00 0.00 H new ATOM 447 N LEU A 270 0.082 -3.008 -1.748 1.00 0.00 N ATOM 448 CA LEU A 270 -0.553 -3.992 -2.637 1.00 0.00 C ATOM 449 C LEU A 270 0.379 -4.420 -3.779 1.00 0.00 C ATOM 450 O LEU A 270 1.389 -3.772 -4.061 1.00 0.00 O ATOM 451 CB LEU A 270 -1.843 -3.394 -3.227 1.00 0.00 C ATOM 452 CG LEU A 270 -2.920 -2.970 -2.217 1.00 0.00 C ATOM 453 CD1 LEU A 270 -4.093 -2.413 -3.024 1.00 0.00 C ATOM 454 CD2 LEU A 270 -3.438 -4.113 -1.333 1.00 0.00 C ATOM 0 H LEU A 270 0.461 -2.210 -2.258 1.00 0.00 H new ATOM 0 HA LEU A 270 -0.782 -4.877 -2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -1.574 -2.524 -3.826 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -2.280 -4.126 -3.906 1.00 0.00 H new ATOM 0 HG LEU A 270 -2.472 -2.242 -1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -4.885 -2.098 -2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -3.757 -1.558 -3.611 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -4.474 -3.185 -3.692 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -4.195 -3.729 -0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -3.876 -4.889 -1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -2.611 -4.534 -0.761 1.00 0.00 H new ATOM 529 N PRO A 276 -5.828 1.006 -8.068 1.00 0.00 N ATOM 530 CA PRO A 276 -6.711 1.640 -7.095 1.00 0.00 C ATOM 531 C PRO A 276 -8.089 2.035 -7.650 1.00 0.00 C ATOM 532 O PRO A 276 -9.013 2.231 -6.864 1.00 0.00 O ATOM 533 CB PRO A 276 -5.926 2.827 -6.530 1.00 0.00 C ATOM 534 CG PRO A 276 -4.907 3.151 -7.617 1.00 0.00 C ATOM 535 CD PRO A 276 -4.619 1.796 -8.251 1.00 0.00 C ATOM 0 HA PRO A 276 -6.974 0.929 -6.311 1.00 0.00 H new ATOM 0 HB2 PRO A 276 -6.578 3.677 -6.329 1.00 0.00 H new ATOM 0 HB3 PRO A 276 -5.438 2.571 -5.590 1.00 0.00 H new ATOM 0 HG2 PRO A 276 -5.307 3.857 -8.344 1.00 0.00 H new ATOM 0 HG3 PRO A 276 -4.005 3.599 -7.201 1.00 0.00 H new ATOM 0 HD2 PRO A 276 -4.378 1.903 -9.309 1.00 0.00 H new ATOM 0 HD3 PRO A 276 -3.763 1.316 -7.776 1.00 0.00 H new ATOM 543 N SER A 277 -8.285 2.074 -8.974 1.00 0.00 N ATOM 544 CA SER A 277 -9.598 2.291 -9.595 1.00 0.00 C ATOM 545 C SER A 277 -10.489 1.030 -9.626 1.00 0.00 C ATOM 546 O SER A 277 -11.656 1.135 -10.011 1.00 0.00 O ATOM 547 CB SER A 277 -9.419 2.856 -11.012 1.00 0.00 C ATOM 548 OG SER A 277 -8.782 4.131 -10.995 1.00 0.00 O ATOM 0 H SER A 277 -7.531 1.955 -9.650 1.00 0.00 H new ATOM 0 HA SER A 277 -10.122 3.012 -8.967 1.00 0.00 H new ATOM 0 HB2 SER A 277 -8.827 2.162 -11.608 1.00 0.00 H new ATOM 0 HB3 SER A 277 -10.392 2.942 -11.495 1.00 0.00 H new ATOM 0 HG SER A 277 -8.683 4.459 -11.913 1.00 0.00 H new ATOM 554 N VAL A 278 -9.989 -0.143 -9.198 1.00 0.00 N ATOM 555 CA VAL A 278 -10.781 -1.394 -9.062 1.00 0.00 C ATOM 556 C VAL A 278 -10.870 -1.899 -7.607 1.00 0.00 C ATOM 557 O VAL A 278 -11.088 -3.088 -7.369 1.00 0.00 O ATOM 558 CB VAL A 278 -10.346 -2.506 -10.055 1.00 0.00 C ATOM 559 CG1 VAL A 278 -10.465 -2.032 -11.514 1.00 0.00 C ATOM 560 CG2 VAL A 278 -8.929 -3.055 -9.817 1.00 0.00 C ATOM 0 H VAL A 278 -9.011 -0.258 -8.932 1.00 0.00 H new ATOM 0 HA VAL A 278 -11.797 -1.122 -9.348 1.00 0.00 H new ATOM 0 HB VAL A 278 -11.039 -3.326 -9.866 1.00 0.00 H new ATOM 0 HG11 VAL A 278 -10.153 -2.834 -12.184 1.00 0.00 H new ATOM 0 HG12 VAL A 278 -11.500 -1.764 -11.726 1.00 0.00 H new ATOM 0 HG13 VAL A 278 -9.826 -1.162 -11.667 1.00 0.00 H new ATOM 0 HG21 VAL A 278 -8.709 -3.826 -10.555 1.00 0.00 H new ATOM 0 HG22 VAL A 278 -8.205 -2.246 -9.911 1.00 0.00 H new ATOM 0 HG23 VAL A 278 -8.868 -3.483 -8.816 1.00 0.00 H new ATOM 570 N LEU A 279 -10.717 -0.999 -6.624 1.00 0.00 N ATOM 571 CA LEU A 279 -10.780 -1.305 -5.184 1.00 0.00 C ATOM 572 C LEU A 279 -11.998 -0.655 -4.488 1.00 0.00 C ATOM 573 O LEU A 279 -12.493 0.377 -4.958 1.00 0.00 O ATOM 574 CB LEU A 279 -9.448 -0.901 -4.519 1.00 0.00 C ATOM 575 CG LEU A 279 -8.258 -1.777 -4.957 1.00 0.00 C ATOM 576 CD1 LEU A 279 -6.961 -1.207 -4.382 1.00 0.00 C ATOM 577 CD2 LEU A 279 -8.415 -3.224 -4.454 1.00 0.00 C ATOM 0 H LEU A 279 -10.541 -0.012 -6.812 1.00 0.00 H new ATOM 0 HA LEU A 279 -10.923 -2.379 -5.068 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -9.231 0.140 -4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -9.557 -0.963 -3.436 1.00 0.00 H new ATOM 0 HG LEU A 279 -8.230 -1.779 -6.047 1.00 0.00 H new ATOM 0 HD11 LEU A 279 -6.121 -1.828 -4.693 1.00 0.00 H new ATOM 0 HD12 LEU A 279 -6.816 -0.191 -4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -7.020 -1.195 -3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -7.560 -3.817 -4.779 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -8.466 -3.227 -3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -9.330 -3.653 -4.861 1.00 0.00 H new ATOM 589 N PRO A 280 -12.496 -1.265 -3.390 1.00 0.00 N ATOM 590 CA PRO A 280 -13.737 -0.881 -2.723 1.00 0.00 C ATOM 591 C PRO A 280 -13.582 0.400 -1.898 1.00 0.00 C ATOM 592 O PRO A 280 -12.526 0.669 -1.331 1.00 0.00 O ATOM 593 CB PRO A 280 -14.109 -2.077 -1.837 1.00 0.00 C ATOM 594 CG PRO A 280 -12.777 -2.757 -1.539 1.00 0.00 C ATOM 595 CD PRO A 280 -11.954 -2.476 -2.784 1.00 0.00 C ATOM 0 HA PRO A 280 -14.517 -0.654 -3.449 1.00 0.00 H new ATOM 0 HB2 PRO A 280 -14.604 -1.754 -0.921 1.00 0.00 H new ATOM 0 HB3 PRO A 280 -14.794 -2.753 -2.349 1.00 0.00 H new ATOM 0 HG2 PRO A 280 -12.307 -2.347 -0.645 1.00 0.00 H new ATOM 0 HG3 PRO A 280 -12.900 -3.827 -1.372 1.00 0.00 H new ATOM 0 HD2 PRO A 280 -10.903 -2.342 -2.529 1.00 0.00 H new ATOM 0 HD3 PRO A 280 -12.009 -3.313 -3.480 1.00 0.00 H new ATOM 603 N ASP A 281 -14.671 1.168 -1.782 1.00 0.00 N ATOM 604 CA ASP A 281 -14.739 2.385 -0.955 1.00 0.00 C ATOM 605 C ASP A 281 -14.707 2.094 0.560 1.00 0.00 C ATOM 606 O ASP A 281 -14.447 2.992 1.360 1.00 0.00 O ATOM 607 CB ASP A 281 -16.007 3.176 -1.312 1.00 0.00 C ATOM 608 CG ASP A 281 -15.977 3.720 -2.749 1.00 0.00 C ATOM 609 OD1 ASP A 281 -15.288 4.742 -2.987 1.00 0.00 O ATOM 610 OD2 ASP A 281 -16.658 3.139 -3.627 1.00 0.00 O ATOM 0 H ASP A 281 -15.545 0.961 -2.266 1.00 0.00 H new ATOM 0 HA ASP A 281 -13.848 2.973 -1.176 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -16.879 2.534 -1.188 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -16.122 4.006 -0.615 1.00 0.00 H new ATOM 615 N ASN A 282 -14.919 0.833 0.945 1.00 0.00 N ATOM 616 CA ASN A 282 -14.912 0.329 2.324 1.00 0.00 C ATOM 617 C ASN A 282 -13.732 -0.636 2.579 1.00 0.00 C ATOM 618 O ASN A 282 -13.808 -1.504 3.453 1.00 0.00 O ATOM 619 CB ASN A 282 -16.281 -0.311 2.623 1.00 0.00 C ATOM 620 CG ASN A 282 -17.429 0.689 2.521 1.00 0.00 C ATOM 621 OD1 ASN A 282 -17.469 1.697 3.221 1.00 0.00 O ATOM 622 ND2 ASN A 282 -18.401 0.444 1.659 1.00 0.00 N ATOM 0 H ASN A 282 -15.111 0.095 0.268 1.00 0.00 H new ATOM 0 HA ASN A 282 -14.757 1.158 3.015 1.00 0.00 H new ATOM 0 HB2 ASN A 282 -16.455 -1.131 1.926 1.00 0.00 H new ATOM 0 HB3 ASN A 282 -16.266 -0.741 3.624 1.00 0.00 H new ATOM 0 HD21 ASN A 282 -19.184 1.092 1.575 1.00 0.00 H new ATOM 0 HD22 ASN A 282 -18.368 -0.393 1.077 1.00 0.00 H new ATOM 629 N TRP A 283 -12.645 -0.510 1.805 1.00 0.00 N ATOM 630 CA TRP A 283 -11.396 -1.251 2.011 1.00 0.00 C ATOM 631 C TRP A 283 -10.850 -1.073 3.442 1.00 0.00 C ATOM 632 O TRP A 283 -10.823 0.035 3.969 1.00 0.00 O ATOM 633 CB TRP A 283 -10.354 -0.806 0.974 1.00 0.00 C ATOM 634 CG TRP A 283 -9.158 -1.696 0.946 1.00 0.00 C ATOM 635 CD1 TRP A 283 -8.974 -2.743 0.112 1.00 0.00 C ATOM 636 CD2 TRP A 283 -8.024 -1.696 1.862 1.00 0.00 C ATOM 637 NE1 TRP A 283 -7.825 -3.420 0.476 1.00 0.00 N ATOM 638 CE2 TRP A 283 -7.221 -2.836 1.572 1.00 0.00 C ATOM 639 CE3 TRP A 283 -7.625 -0.878 2.944 1.00 0.00 C ATOM 640 CZ2 TRP A 283 -6.094 -3.156 2.336 1.00 0.00 C ATOM 641 CZ3 TRP A 283 -6.504 -1.199 3.725 1.00 0.00 C ATOM 642 CH2 TRP A 283 -5.751 -2.344 3.427 1.00 0.00 C ATOM 0 H TRP A 283 -12.610 0.121 1.005 1.00 0.00 H new ATOM 0 HA TRP A 283 -11.607 -2.312 1.880 1.00 0.00 H new ATOM 0 HB2 TRP A 283 -10.814 -0.790 -0.014 1.00 0.00 H new ATOM 0 HB3 TRP A 283 -10.039 0.214 1.195 1.00 0.00 H new ATOM 0 HD1 TRP A 283 -9.622 -3.009 -0.710 1.00 0.00 H new ATOM 0 HE1 TRP A 283 -7.468 -4.246 -0.004 1.00 0.00 H new ATOM 0 HE3 TRP A 283 -8.194 0.011 3.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 283 -5.494 -4.019 2.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 283 -6.222 -0.566 4.553 1.00 0.00 H new ATOM 0 HH2 TRP A 283 -4.901 -2.602 4.042 1.00 0.00 H new ATOM 653 N SER A 284 -10.373 -2.149 4.057 1.00 0.00 N ATOM 654 CA SER A 284 -9.821 -2.182 5.420 1.00 0.00 C ATOM 655 C SER A 284 -8.633 -3.149 5.496 1.00 0.00 C ATOM 656 O SER A 284 -8.420 -3.931 4.567 1.00 0.00 O ATOM 657 CB SER A 284 -10.910 -2.601 6.421 1.00 0.00 C ATOM 658 OG SER A 284 -11.395 -3.917 6.160 1.00 0.00 O ATOM 0 H SER A 284 -10.356 -3.064 3.607 1.00 0.00 H new ATOM 0 HA SER A 284 -9.470 -1.182 5.677 1.00 0.00 H new ATOM 0 HB2 SER A 284 -10.509 -2.556 7.434 1.00 0.00 H new ATOM 0 HB3 SER A 284 -11.738 -1.893 6.374 1.00 0.00 H new ATOM 0 HG SER A 284 -12.084 -4.148 6.817 1.00 0.00 H new ATOM 664 N CYS A 285 -7.881 -3.141 6.604 1.00 0.00 N ATOM 665 CA CYS A 285 -6.749 -4.058 6.813 1.00 0.00 C ATOM 666 C CYS A 285 -7.119 -5.546 6.559 1.00 0.00 C ATOM 667 O CYS A 285 -6.291 -6.321 6.085 1.00 0.00 O ATOM 668 CB CYS A 285 -6.196 -3.917 8.242 1.00 0.00 C ATOM 669 SG CYS A 285 -5.640 -2.240 8.658 1.00 0.00 S ATOM 0 H CYS A 285 -8.039 -2.500 7.381 1.00 0.00 H new ATOM 0 HA CYS A 285 -5.991 -3.774 6.083 1.00 0.00 H new ATOM 0 HB2 CYS A 285 -6.968 -4.219 8.950 1.00 0.00 H new ATOM 0 HB3 CYS A 285 -5.361 -4.607 8.367 1.00 0.00 H new ATOM 0 HG CYS A 285 -6.640 -1.415 8.560 1.00 0.00 H new ATOM 674 N ASP A 286 -8.370 -5.944 6.825 1.00 0.00 N ATOM 675 CA ASP A 286 -8.905 -7.294 6.579 1.00 0.00 C ATOM 676 C ASP A 286 -8.984 -7.672 5.080 1.00 0.00 C ATOM 677 O ASP A 286 -9.115 -8.848 4.737 1.00 0.00 O ATOM 678 CB ASP A 286 -10.287 -7.384 7.248 1.00 0.00 C ATOM 679 CG ASP A 286 -10.883 -8.802 7.217 1.00 0.00 C ATOM 680 OD1 ASP A 286 -10.345 -9.696 7.912 1.00 0.00 O ATOM 681 OD2 ASP A 286 -11.914 -9.007 6.532 1.00 0.00 O ATOM 0 H ASP A 286 -9.063 -5.315 7.231 1.00 0.00 H new ATOM 0 HA ASP A 286 -8.214 -8.018 7.011 1.00 0.00 H new ATOM 0 HB2 ASP A 286 -10.205 -7.054 8.284 1.00 0.00 H new ATOM 0 HB3 ASP A 286 -10.971 -6.698 6.748 1.00 0.00 H new ATOM 686 N GLN A 287 -8.867 -6.687 4.186 1.00 0.00 N ATOM 687 CA GLN A 287 -8.925 -6.817 2.727 1.00 0.00 C ATOM 688 C GLN A 287 -7.523 -6.713 2.081 1.00 0.00 C ATOM 689 O GLN A 287 -7.402 -6.545 0.865 1.00 0.00 O ATOM 690 CB GLN A 287 -9.921 -5.763 2.197 1.00 0.00 C ATOM 691 CG GLN A 287 -11.367 -6.091 2.612 1.00 0.00 C ATOM 692 CD GLN A 287 -12.318 -4.910 2.433 1.00 0.00 C ATOM 693 OE1 GLN A 287 -12.800 -4.619 1.345 1.00 0.00 O ATOM 694 NE2 GLN A 287 -12.619 -4.175 3.483 1.00 0.00 N ATOM 0 H GLN A 287 -8.721 -5.721 4.478 1.00 0.00 H new ATOM 0 HA GLN A 287 -9.281 -7.809 2.450 1.00 0.00 H new ATOM 0 HB2 GLN A 287 -9.647 -4.779 2.577 1.00 0.00 H new ATOM 0 HB3 GLN A 287 -9.856 -5.714 1.110 1.00 0.00 H new ATOM 0 HG2 GLN A 287 -11.727 -6.934 2.022 1.00 0.00 H new ATOM 0 HG3 GLN A 287 -11.378 -6.405 3.656 1.00 0.00 H new ATOM 0 HE21 GLN A 287 -12.226 -4.404 4.396 1.00 0.00 H new ATOM 0 HE22 GLN A 287 -13.245 -3.376 3.384 1.00 0.00 H new ATOM 703 N ASN A 288 -6.452 -6.825 2.878 1.00 0.00 N ATOM 704 CA ASN A 288 -5.060 -6.774 2.417 1.00 0.00 C ATOM 705 C ASN A 288 -4.594 -8.048 1.685 1.00 0.00 C ATOM 706 O ASN A 288 -5.107 -9.148 1.920 1.00 0.00 O ATOM 707 CB ASN A 288 -4.140 -6.462 3.611 1.00 0.00 C ATOM 708 CG ASN A 288 -2.783 -5.935 3.161 1.00 0.00 C ATOM 709 OD1 ASN A 288 -2.692 -5.099 2.275 1.00 0.00 O ATOM 710 ND2 ASN A 288 -1.690 -6.436 3.705 1.00 0.00 N ATOM 0 H ASN A 288 -6.533 -6.957 3.886 1.00 0.00 H new ATOM 0 HA ASN A 288 -5.001 -5.979 1.674 1.00 0.00 H new ATOM 0 HB2 ASN A 288 -4.620 -5.726 4.256 1.00 0.00 H new ATOM 0 HB3 ASN A 288 -4.000 -7.364 4.206 1.00 0.00 H new ATOM 0 HD21 ASN A 288 -0.773 -6.125 3.385 1.00 0.00 H new ATOM 0 HD22 ASN A 288 -1.763 -7.134 4.445 1.00 0.00 H new ATOM 717 N THR A 289 -3.573 -7.895 0.830 1.00 0.00 N ATOM 718 CA THR A 289 -2.942 -8.973 0.045 1.00 0.00 C ATOM 719 C THR A 289 -1.809 -9.681 0.780 1.00 0.00 C ATOM 720 O THR A 289 -1.370 -10.742 0.341 1.00 0.00 O ATOM 721 CB THR A 289 -2.431 -8.419 -1.291 1.00 0.00 C ATOM 722 OG1 THR A 289 -1.638 -7.272 -1.073 1.00 0.00 O ATOM 723 CG2 THR A 289 -3.601 -8.015 -2.183 1.00 0.00 C ATOM 0 H THR A 289 -3.146 -6.985 0.658 1.00 0.00 H new ATOM 0 HA THR A 289 -3.716 -9.722 -0.126 1.00 0.00 H new ATOM 0 HB THR A 289 -1.844 -9.201 -1.772 1.00 0.00 H new ATOM 0 HG1 THR A 289 -1.188 -7.022 -1.907 1.00 0.00 H new ATOM 0 HG21 THR A 289 -3.221 -7.624 -3.127 1.00 0.00 H new ATOM 0 HG22 THR A 289 -4.228 -8.885 -2.377 1.00 0.00 H new ATOM 0 HG23 THR A 289 -4.191 -7.247 -1.683 1.00 0.00 H new ATOM 731 N ASP A 290 -1.350 -9.121 1.901 1.00 0.00 N ATOM 732 CA ASP A 290 -0.207 -9.604 2.678 1.00 0.00 C ATOM 733 C ASP A 290 -0.603 -9.941 4.125 1.00 0.00 C ATOM 734 O ASP A 290 -1.037 -9.072 4.884 1.00 0.00 O ATOM 735 CB ASP A 290 0.924 -8.555 2.633 1.00 0.00 C ATOM 736 CG ASP A 290 2.248 -9.173 2.156 1.00 0.00 C ATOM 737 OD1 ASP A 290 2.644 -10.225 2.709 1.00 0.00 O ATOM 738 OD2 ASP A 290 2.876 -8.615 1.226 1.00 0.00 O ATOM 0 H ASP A 290 -1.779 -8.289 2.307 1.00 0.00 H new ATOM 0 HA ASP A 290 0.151 -10.531 2.231 1.00 0.00 H new ATOM 0 HB2 ASP A 290 0.640 -7.741 1.966 1.00 0.00 H new ATOM 0 HB3 ASP A 290 1.060 -8.122 3.624 1.00 0.00 H new ATOM 743 N VAL A 291 -0.427 -11.209 4.513 1.00 0.00 N ATOM 744 CA VAL A 291 -0.870 -11.769 5.813 1.00 0.00 C ATOM 745 C VAL A 291 -0.119 -11.196 7.021 1.00 0.00 C ATOM 746 O VAL A 291 -0.585 -11.292 8.154 1.00 0.00 O ATOM 747 CB VAL A 291 -0.771 -13.312 5.855 1.00 0.00 C ATOM 748 CG1 VAL A 291 -1.634 -13.941 4.752 1.00 0.00 C ATOM 749 CG2 VAL A 291 0.681 -13.815 5.733 1.00 0.00 C ATOM 0 H VAL A 291 0.038 -11.899 3.923 1.00 0.00 H new ATOM 0 HA VAL A 291 -1.915 -11.467 5.888 1.00 0.00 H new ATOM 0 HB VAL A 291 -1.145 -13.622 6.831 1.00 0.00 H new ATOM 0 HG11 VAL A 291 -1.550 -15.027 4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -2.675 -13.651 4.895 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -1.290 -13.593 3.778 1.00 0.00 H new ATOM 0 HG21 VAL A 291 0.693 -14.904 5.768 1.00 0.00 H new ATOM 0 HG22 VAL A 291 1.105 -13.478 4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 291 1.274 -13.419 6.558 1.00 0.00 H new ATOM 759 N GLN A 292 1.037 -10.580 6.771 1.00 0.00 N ATOM 760 CA GLN A 292 1.857 -9.898 7.772 1.00 0.00 C ATOM 761 C GLN A 292 1.244 -8.577 8.254 1.00 0.00 C ATOM 762 O GLN A 292 1.637 -8.090 9.310 1.00 0.00 O ATOM 763 CB GLN A 292 3.290 -9.705 7.243 1.00 0.00 C ATOM 764 CG GLN A 292 3.402 -9.430 5.736 1.00 0.00 C ATOM 765 CD GLN A 292 4.769 -8.893 5.319 1.00 0.00 C ATOM 766 OE1 GLN A 292 4.903 -7.775 4.835 1.00 0.00 O ATOM 767 NE2 GLN A 292 5.838 -9.648 5.478 1.00 0.00 N ATOM 0 H GLN A 292 1.441 -10.541 5.835 1.00 0.00 H new ATOM 0 HA GLN A 292 1.893 -10.540 8.652 1.00 0.00 H new ATOM 0 HB2 GLN A 292 3.750 -8.877 7.782 1.00 0.00 H new ATOM 0 HB3 GLN A 292 3.869 -10.598 7.477 1.00 0.00 H new ATOM 0 HG2 GLN A 292 3.199 -10.351 5.190 1.00 0.00 H new ATOM 0 HG3 GLN A 292 2.634 -8.713 5.447 1.00 0.00 H new ATOM 0 HE21 GLN A 292 5.748 -10.582 5.879 1.00 0.00 H new ATOM 0 HE22 GLN A 292 6.755 -9.299 5.200 1.00 0.00 H new ATOM 776 N TYR A 293 0.261 -8.028 7.526 1.00 0.00 N ATOM 777 CA TYR A 293 -0.435 -6.776 7.870 1.00 0.00 C ATOM 778 C TYR A 293 -1.946 -6.816 7.550 1.00 0.00 C ATOM 779 O TYR A 293 -2.575 -5.783 7.315 1.00 0.00 O ATOM 780 CB TYR A 293 0.277 -5.575 7.222 1.00 0.00 C ATOM 781 CG TYR A 293 1.714 -5.361 7.664 1.00 0.00 C ATOM 782 CD1 TYR A 293 2.777 -6.000 6.998 1.00 0.00 C ATOM 783 CD2 TYR A 293 1.986 -4.527 8.764 1.00 0.00 C ATOM 784 CE1 TYR A 293 4.101 -5.815 7.432 1.00 0.00 C ATOM 785 CE2 TYR A 293 3.309 -4.318 9.192 1.00 0.00 C ATOM 786 CZ TYR A 293 4.376 -4.963 8.526 1.00 0.00 C ATOM 787 OH TYR A 293 5.658 -4.760 8.943 1.00 0.00 O ATOM 0 H TYR A 293 -0.081 -8.450 6.663 1.00 0.00 H new ATOM 0 HA TYR A 293 -0.381 -6.656 8.952 1.00 0.00 H new ATOM 0 HB2 TYR A 293 0.262 -5.704 6.140 1.00 0.00 H new ATOM 0 HB3 TYR A 293 -0.293 -4.672 7.443 1.00 0.00 H new ATOM 0 HD1 TYR A 293 2.574 -6.636 6.149 1.00 0.00 H new ATOM 0 HD2 TYR A 293 1.172 -4.043 9.284 1.00 0.00 H new ATOM 0 HE1 TYR A 293 4.909 -6.325 6.929 1.00 0.00 H new ATOM 0 HE2 TYR A 293 3.510 -3.665 10.029 1.00 0.00 H new ATOM 0 HH TYR A 293 5.660 -4.145 9.706 1.00 0.00 H new ATOM 797 N ASN A 294 -2.547 -8.012 7.548 1.00 0.00 N ATOM 798 CA ASN A 294 -3.956 -8.237 7.184 1.00 0.00 C ATOM 799 C ASN A 294 -4.969 -8.023 8.335 1.00 0.00 C ATOM 800 O ASN A 294 -6.093 -8.530 8.281 1.00 0.00 O ATOM 801 CB ASN A 294 -4.114 -9.608 6.504 1.00 0.00 C ATOM 802 CG ASN A 294 -4.071 -10.801 7.462 1.00 0.00 C ATOM 803 OD1 ASN A 294 -3.661 -10.706 8.614 1.00 0.00 O ATOM 804 ND2 ASN A 294 -4.505 -11.965 7.012 1.00 0.00 N ATOM 0 H ASN A 294 -2.059 -8.870 7.804 1.00 0.00 H new ATOM 0 HA ASN A 294 -4.216 -7.456 6.470 1.00 0.00 H new ATOM 0 HB2 ASN A 294 -5.061 -9.625 5.965 1.00 0.00 H new ATOM 0 HB3 ASN A 294 -3.323 -9.725 5.763 1.00 0.00 H new ATOM 0 HD21 ASN A 294 -4.499 -12.782 7.622 1.00 0.00 H new ATOM 0 HD22 ASN A 294 -4.846 -12.046 6.054 1.00 0.00 H new ATOM 811 N ARG A 295 -4.568 -7.307 9.395 1.00 0.00 N ATOM 812 CA ARG A 295 -5.375 -7.029 10.588 1.00 0.00 C ATOM 813 C ARG A 295 -5.164 -5.610 11.105 1.00 0.00 C ATOM 814 O ARG A 295 -4.035 -5.141 11.231 1.00 0.00 O ATOM 815 CB ARG A 295 -4.999 -8.008 11.709 1.00 0.00 C ATOM 816 CG ARG A 295 -5.853 -9.278 11.696 1.00 0.00 C ATOM 817 CD ARG A 295 -5.325 -10.241 12.762 1.00 0.00 C ATOM 818 NE ARG A 295 -6.178 -11.435 12.881 1.00 0.00 N ATOM 819 CZ ARG A 295 -5.952 -12.489 13.658 1.00 0.00 C ATOM 820 NH1 ARG A 295 -4.895 -12.566 14.441 1.00 0.00 N ATOM 821 NH2 ARG A 295 -6.800 -13.495 13.658 1.00 0.00 N ATOM 0 H ARG A 295 -3.638 -6.891 9.445 1.00 0.00 H new ATOM 0 HA ARG A 295 -6.420 -7.145 10.301 1.00 0.00 H new ATOM 0 HB2 ARG A 295 -3.948 -8.281 11.610 1.00 0.00 H new ATOM 0 HB3 ARG A 295 -5.110 -7.510 12.672 1.00 0.00 H new ATOM 0 HG2 ARG A 295 -6.897 -9.033 11.893 1.00 0.00 H new ATOM 0 HG3 ARG A 295 -5.816 -9.747 10.713 1.00 0.00 H new ATOM 0 HD2 ARG A 295 -4.308 -10.543 12.510 1.00 0.00 H new ATOM 0 HD3 ARG A 295 -5.277 -9.730 13.724 1.00 0.00 H new ATOM 0 HE ARG A 295 -7.024 -11.455 12.312 1.00 0.00 H new ATOM 0 HH11 ARG A 295 -4.220 -11.802 14.463 1.00 0.00 H new ATOM 0 HH12 ARG A 295 -4.752 -13.390 15.025 1.00 0.00 H new ATOM 0 HH21 ARG A 295 -7.628 -13.464 13.063 1.00 0.00 H new ATOM 0 HH22 ARG A 295 -6.630 -14.306 14.253 1.00 0.00 H new ATOM 835 N CYS A 296 -6.259 -4.991 11.531 1.00 0.00 N ATOM 836 CA CYS A 296 -6.315 -3.674 12.159 1.00 0.00 C ATOM 837 C CYS A 296 -5.552 -3.542 13.495 1.00 0.00 C ATOM 838 O CYS A 296 -5.259 -2.431 13.941 1.00 0.00 O ATOM 839 CB CYS A 296 -7.802 -3.385 12.360 1.00 0.00 C ATOM 840 SG CYS A 296 -8.520 -2.732 10.830 1.00 0.00 S ATOM 0 H CYS A 296 -7.182 -5.416 11.443 1.00 0.00 H new ATOM 0 HA CYS A 296 -5.811 -2.957 11.511 1.00 0.00 H new ATOM 0 HB2 CYS A 296 -8.321 -4.297 12.655 1.00 0.00 H new ATOM 0 HB3 CYS A 296 -7.935 -2.667 13.169 1.00 0.00 H new ATOM 0 HG CYS A 296 -7.568 -2.433 9.997 1.00 0.00 H new ATOM 845 N ASP A 297 -5.204 -4.669 14.116 1.00 0.00 N ATOM 846 CA ASP A 297 -4.475 -4.739 15.383 1.00 0.00 C ATOM 847 C ASP A 297 -2.955 -4.845 15.149 1.00 0.00 C ATOM 848 O ASP A 297 -2.169 -4.895 16.095 1.00 0.00 O ATOM 849 CB ASP A 297 -5.058 -5.914 16.176 1.00 0.00 C ATOM 850 CG ASP A 297 -4.566 -5.971 17.634 1.00 0.00 C ATOM 851 OD1 ASP A 297 -4.814 -5.003 18.393 1.00 0.00 O ATOM 852 OD2 ASP A 297 -3.972 -7.003 18.029 1.00 0.00 O ATOM 0 H ASP A 297 -5.429 -5.589 13.738 1.00 0.00 H new ATOM 0 HA ASP A 297 -4.600 -3.825 15.964 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.146 -5.843 16.170 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -4.797 -6.846 15.675 1.00 0.00 H new ATOM 857 N ILE A 298 -2.538 -4.846 13.876 1.00 0.00 N ATOM 858 CA ILE A 298 -1.139 -4.861 13.450 1.00 0.00 C ATOM 859 C ILE A 298 -0.709 -3.425 13.115 1.00 0.00 C ATOM 860 O ILE A 298 -1.423 -2.746 12.365 1.00 0.00 O ATOM 861 CB ILE A 298 -0.919 -5.805 12.247 1.00 0.00 C ATOM 862 CG1 ILE A 298 -1.438 -7.214 12.600 1.00 0.00 C ATOM 863 CG2 ILE A 298 0.568 -5.841 11.872 1.00 0.00 C ATOM 864 CD1 ILE A 298 -1.236 -8.271 11.508 1.00 0.00 C ATOM 0 H ILE A 298 -3.189 -4.836 13.091 1.00 0.00 H new ATOM 0 HA ILE A 298 -0.523 -5.246 14.263 1.00 0.00 H new ATOM 0 HB ILE A 298 -1.474 -5.436 11.384 1.00 0.00 H new ATOM 0 HG12 ILE A 298 -0.939 -7.552 13.508 1.00 0.00 H new ATOM 0 HG13 ILE A 298 -2.502 -7.147 12.827 1.00 0.00 H new ATOM 0 HG21 ILE A 298 0.713 -6.509 11.023 1.00 0.00 H new ATOM 0 HG22 ILE A 298 0.900 -4.838 11.605 1.00 0.00 H new ATOM 0 HG23 ILE A 298 1.149 -6.202 12.721 1.00 0.00 H new ATOM 0 HD11 ILE A 298 -1.633 -9.227 11.849 1.00 0.00 H new ATOM 0 HD12 ILE A 298 -1.759 -7.963 10.603 1.00 0.00 H new ATOM 0 HD13 ILE A 298 -0.172 -8.375 11.294 1.00 0.00 H new ATOM 876 N PRO A 299 0.449 -2.971 13.622 1.00 0.00 N ATOM 877 CA PRO A 299 0.952 -1.618 13.423 1.00 0.00 C ATOM 878 C PRO A 299 1.229 -1.304 11.949 1.00 0.00 C ATOM 879 O PRO A 299 1.447 -2.200 11.137 1.00 0.00 O ATOM 880 CB PRO A 299 2.226 -1.539 14.270 1.00 0.00 C ATOM 881 CG PRO A 299 2.696 -2.984 14.404 1.00 0.00 C ATOM 882 CD PRO A 299 1.385 -3.759 14.413 1.00 0.00 C ATOM 0 HA PRO A 299 0.214 -0.875 13.724 1.00 0.00 H new ATOM 0 HB2 PRO A 299 2.983 -0.920 13.789 1.00 0.00 H new ATOM 0 HB3 PRO A 299 2.025 -1.096 15.246 1.00 0.00 H new ATOM 0 HG2 PRO A 299 3.337 -3.281 13.574 1.00 0.00 H new ATOM 0 HG3 PRO A 299 3.267 -3.142 15.319 1.00 0.00 H new ATOM 0 HD2 PRO A 299 1.516 -4.753 13.986 1.00 0.00 H new ATOM 0 HD3 PRO A 299 1.019 -3.895 15.431 1.00 0.00 H new ATOM 890 N GLU A 300 1.228 -0.013 11.610 1.00 0.00 N ATOM 891 CA GLU A 300 1.639 0.505 10.302 1.00 0.00 C ATOM 892 C GLU A 300 3.134 0.188 10.039 1.00 0.00 C ATOM 893 O GLU A 300 3.936 0.099 10.976 1.00 0.00 O ATOM 894 CB GLU A 300 1.298 2.008 10.273 1.00 0.00 C ATOM 895 CG GLU A 300 0.825 2.531 8.915 1.00 0.00 C ATOM 896 CD GLU A 300 1.979 2.848 7.958 1.00 0.00 C ATOM 897 OE1 GLU A 300 2.491 3.991 7.989 1.00 0.00 O ATOM 898 OE2 GLU A 300 2.346 1.954 7.164 1.00 0.00 O ATOM 0 H GLU A 300 0.934 0.721 12.254 1.00 0.00 H new ATOM 0 HA GLU A 300 1.103 0.021 9.486 1.00 0.00 H new ATOM 0 HB2 GLU A 300 0.522 2.205 11.013 1.00 0.00 H new ATOM 0 HB3 GLU A 300 2.179 2.572 10.577 1.00 0.00 H new ATOM 0 HG2 GLU A 300 0.172 1.790 8.454 1.00 0.00 H new ATOM 0 HG3 GLU A 300 0.229 3.431 9.066 1.00 0.00 H new ATOM 1027 N ARG B 2 -9.043 5.843 1.116 1.00 0.00 N ATOM 1028 CA ARG B 2 -8.038 6.598 0.345 1.00 0.00 C ATOM 1029 C ARG B 2 -7.034 5.668 -0.339 1.00 0.00 C ATOM 1030 O ARG B 2 -6.775 4.550 0.118 1.00 0.00 O ATOM 1031 CB ARG B 2 -7.277 7.637 1.186 1.00 0.00 C ATOM 1032 CG ARG B 2 -8.191 8.769 1.666 1.00 0.00 C ATOM 1033 CD ARG B 2 -7.382 9.890 2.333 1.00 0.00 C ATOM 1034 NE ARG B 2 -8.266 10.894 2.953 1.00 0.00 N ATOM 1035 CZ ARG B 2 -8.800 10.839 4.169 1.00 0.00 C ATOM 1036 NH1 ARG B 2 -8.577 9.837 4.993 1.00 0.00 N ATOM 1037 NH2 ARG B 2 -9.583 11.814 4.578 1.00 0.00 N ATOM 0 HA ARG B 2 -8.608 7.138 -0.411 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -6.826 7.145 2.048 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -6.462 8.055 0.595 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -8.749 9.173 0.821 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -8.922 8.375 2.372 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -6.724 9.465 3.091 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -6.745 10.372 1.591 1.00 0.00 H new ATOM 0 HE ARG B 2 -8.491 11.715 2.391 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -7.975 9.065 4.706 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -9.006 9.833 5.918 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -9.776 12.605 3.963 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -9.997 11.779 5.510 1.00 0.00 H new ATOM 1051 N THR B 3 -6.444 6.188 -1.412 1.00 0.00 N ATOM 1052 CA THR B 3 -5.487 5.525 -2.304 1.00 0.00 C ATOM 1053 C THR B 3 -4.373 6.492 -2.674 1.00 0.00 C ATOM 1054 O THR B 3 -4.592 7.692 -2.846 1.00 0.00 O ATOM 1055 CB THR B 3 -6.182 5.006 -3.573 1.00 0.00 C ATOM 1056 OG1 THR B 3 -7.097 5.966 -4.066 1.00 0.00 O ATOM 1057 CG2 THR B 3 -6.935 3.706 -3.292 1.00 0.00 C ATOM 0 H THR B 3 -6.632 7.147 -1.704 1.00 0.00 H new ATOM 0 HA THR B 3 -5.063 4.669 -1.779 1.00 0.00 H new ATOM 0 HB THR B 3 -5.408 4.820 -4.317 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.529 5.621 -4.875 1.00 0.00 H new ATOM 0 HG21 THR B 3 -7.418 3.360 -4.206 1.00 0.00 H new ATOM 0 HG22 THR B 3 -6.234 2.948 -2.943 1.00 0.00 H new ATOM 0 HG23 THR B 3 -7.691 3.882 -2.527 1.00 0.00 H new