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= 0.475 USER MOD Set 1.2: A 287 GLN : amide:sc= 0.975 K(o=1.4,f=0.94) USER MOD Set 2.1: A 259 CYS SG : rot -176:sc= 1.15 USER MOD Set 2.2: A 264 CYS SG : rot 149:sc= 2.22 USER MOD Set 2.3: A 266 LYS NZ :NH3+ 135:sc= 1.38 (180deg=-0.204) USER MOD Set 2.4: A 285 CYS SG : rot 61:sc= 2.94 USER MOD Set 2.5: A 296 CYS SG : rot -9:sc= 1.27 USER MOD Single : A 258 GLN : amide:sc= 0.557 K(o=0.56,f=-1) USER MOD Single : A 260 SER OG : rot 180:sc= 0 USER MOD Single : A 263 ASN : amide:sc= -0.0936 K(o=-0.094,f=-0.83) USER MOD Single : A 277 SER OG : rot -26:sc= 0.00543 USER MOD Single : A 282 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 288 ASN : amide:sc= -0.237 X(o=-0.24,f=-0.34) USER MOD Single : A 289 THR OG1 : rot 180:sc= 0.00566 USER MOD Single : A 292 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 293 TYR OH : rot 180:sc= 0 USER MOD Single : A 294 ASN : amide:sc= -0.258 K(o=-0.26,f=-1.1) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 194 N VAL A 255 1.147 0.353 -5.080 1.00 0.00 N ATOM 195 CA VAL A 255 -0.162 0.875 -4.650 1.00 0.00 C ATOM 196 C VAL A 255 -0.306 0.687 -3.142 1.00 0.00 C ATOM 197 O VAL A 255 0.025 -0.370 -2.603 1.00 0.00 O ATOM 198 CB VAL A 255 -1.325 0.181 -5.403 1.00 0.00 C ATOM 199 CG1 VAL A 255 -2.707 0.692 -4.952 1.00 0.00 C ATOM 200 CG2 VAL A 255 -1.207 0.385 -6.923 1.00 0.00 C ATOM 0 HA VAL A 255 -0.212 1.937 -4.891 1.00 0.00 H new ATOM 0 HB VAL A 255 -1.244 -0.878 -5.160 1.00 0.00 H new ATOM 0 HG11 VAL A 255 -3.487 0.174 -5.510 1.00 0.00 H new ATOM 0 HG12 VAL A 255 -2.836 0.501 -3.887 1.00 0.00 H new ATOM 0 HG13 VAL A 255 -2.778 1.763 -5.140 1.00 0.00 H new ATOM 0 HG21 VAL A 255 -2.037 -0.114 -7.423 1.00 0.00 H new ATOM 0 HG22 VAL A 255 -1.234 1.451 -7.150 1.00 0.00 H new ATOM 0 HG23 VAL A 255 -0.266 -0.037 -7.275 1.00 0.00 H new ATOM 210 N TRP A 256 -0.816 1.725 -2.479 1.00 0.00 N ATOM 211 CA TRP A 256 -1.071 1.769 -1.042 1.00 0.00 C ATOM 212 C TRP A 256 -2.541 2.132 -0.772 1.00 0.00 C ATOM 213 O TRP A 256 -3.112 2.991 -1.449 1.00 0.00 O ATOM 214 CB TRP A 256 -0.139 2.800 -0.395 1.00 0.00 C ATOM 215 CG TRP A 256 1.334 2.544 -0.462 1.00 0.00 C ATOM 216 CD1 TRP A 256 2.147 2.847 -1.500 1.00 0.00 C ATOM 217 CD2 TRP A 256 2.199 1.968 0.565 1.00 0.00 C ATOM 218 NE1 TRP A 256 3.450 2.540 -1.170 1.00 0.00 N ATOM 219 CE2 TRP A 256 3.541 1.963 0.077 1.00 0.00 C ATOM 220 CE3 TRP A 256 1.986 1.452 1.862 1.00 0.00 C ATOM 221 CZ2 TRP A 256 4.612 1.447 0.823 1.00 0.00 C ATOM 222 CZ3 TRP A 256 3.049 0.906 2.606 1.00 0.00 C ATOM 223 CH2 TRP A 256 4.358 0.898 2.091 1.00 0.00 C ATOM 0 H TRP A 256 -1.073 2.593 -2.949 1.00 0.00 H new ATOM 0 HA TRP A 256 -0.877 0.787 -0.610 1.00 0.00 H new ATOM 0 HB2 TRP A 256 -0.333 3.766 -0.860 1.00 0.00 H new ATOM 0 HB3 TRP A 256 -0.416 2.891 0.655 1.00 0.00 H new ATOM 0 HD1 TRP A 256 1.825 3.265 -2.442 1.00 0.00 H new ATOM 0 HE1 TRP A 256 4.250 2.719 -1.777 1.00 0.00 H new ATOM 0 HE3 TRP A 256 0.994 1.477 2.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 256 5.617 1.472 0.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 256 2.857 0.488 3.583 1.00 0.00 H new ATOM 0 HH2 TRP A 256 5.165 0.471 2.668 1.00 0.00 H new ATOM 234 N VAL A 257 -3.136 1.493 0.237 1.00 0.00 N ATOM 235 CA VAL A 257 -4.576 1.574 0.563 1.00 0.00 C ATOM 236 C VAL A 257 -4.784 1.901 2.037 1.00 0.00 C ATOM 237 O VAL A 257 -4.240 1.212 2.898 1.00 0.00 O ATOM 238 CB VAL A 257 -5.318 0.252 0.246 1.00 0.00 C ATOM 239 CG1 VAL A 257 -5.781 0.219 -1.209 1.00 0.00 C ATOM 240 CG2 VAL A 257 -4.493 -1.012 0.542 1.00 0.00 C ATOM 0 H VAL A 257 -2.621 0.885 0.874 1.00 0.00 H new ATOM 0 HA VAL A 257 -4.987 2.370 -0.059 1.00 0.00 H new ATOM 0 HB VAL A 257 -6.177 0.240 0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 257 -6.299 -0.720 -1.405 1.00 0.00 H new ATOM 0 HG12 VAL A 257 -6.458 1.053 -1.394 1.00 0.00 H new ATOM 0 HG13 VAL A 257 -4.917 0.301 -1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 257 -5.080 -1.896 0.294 1.00 0.00 H new ATOM 0 HG22 VAL A 257 -3.583 -1.001 -0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 257 -4.230 -1.036 1.600 1.00 0.00 H new ATOM 250 N GLN A 258 -5.570 2.945 2.324 1.00 0.00 N ATOM 251 CA GLN A 258 -5.879 3.350 3.693 1.00 0.00 C ATOM 252 C GLN A 258 -7.131 2.638 4.223 1.00 0.00 C ATOM 253 O GLN A 258 -8.184 2.647 3.578 1.00 0.00 O ATOM 254 CB GLN A 258 -6.027 4.875 3.806 1.00 0.00 C ATOM 255 CG GLN A 258 -6.031 5.301 5.286 1.00 0.00 C ATOM 256 CD GLN A 258 -6.005 6.814 5.499 1.00 0.00 C ATOM 257 OE1 GLN A 258 -6.718 7.576 4.860 1.00 0.00 O ATOM 258 NE2 GLN A 258 -5.204 7.308 6.419 1.00 0.00 N ATOM 0 H GLN A 258 -6.008 3.530 1.612 1.00 0.00 H new ATOM 0 HA GLN A 258 -5.037 3.048 4.316 1.00 0.00 H new ATOM 0 HB2 GLN A 258 -5.208 5.367 3.281 1.00 0.00 H new ATOM 0 HB3 GLN A 258 -6.952 5.194 3.326 1.00 0.00 H new ATOM 0 HG2 GLN A 258 -6.919 4.892 5.768 1.00 0.00 H new ATOM 0 HG3 GLN A 258 -5.167 4.860 5.782 1.00 0.00 H new ATOM 0 HE21 GLN A 258 -4.604 6.686 6.960 1.00 0.00 H new ATOM 0 HE22 GLN A 258 -5.184 8.313 6.591 1.00 0.00 H new ATOM 267 N CYS A 259 -7.010 2.071 5.426 1.00 0.00 N ATOM 268 CA CYS A 259 -8.087 1.440 6.184 1.00 0.00 C ATOM 269 C CYS A 259 -9.306 2.373 6.379 1.00 0.00 C ATOM 270 O CYS A 259 -9.162 3.560 6.693 1.00 0.00 O ATOM 271 CB CYS A 259 -7.484 1.004 7.524 1.00 0.00 C ATOM 272 SG CYS A 259 -8.596 -0.161 8.354 1.00 0.00 S ATOM 0 H CYS A 259 -6.117 2.039 5.918 1.00 0.00 H new ATOM 0 HA CYS A 259 -8.479 0.584 5.635 1.00 0.00 H new ATOM 0 HB2 CYS A 259 -6.512 0.538 7.360 1.00 0.00 H new ATOM 0 HB3 CYS A 259 -7.317 1.875 8.158 1.00 0.00 H new ATOM 0 HG CYS A 259 -8.116 -0.461 9.524 1.00 0.00 H new ATOM 277 N SER A 260 -10.515 1.840 6.206 1.00 0.00 N ATOM 278 CA SER A 260 -11.782 2.575 6.346 1.00 0.00 C ATOM 279 C SER A 260 -12.077 3.041 7.783 1.00 0.00 C ATOM 280 O SER A 260 -12.814 4.016 7.967 1.00 0.00 O ATOM 281 CB SER A 260 -12.959 1.731 5.830 1.00 0.00 C ATOM 282 OG SER A 260 -13.047 0.479 6.497 1.00 0.00 O ATOM 0 H SER A 260 -10.649 0.860 5.958 1.00 0.00 H new ATOM 0 HA SER A 260 -11.666 3.474 5.740 1.00 0.00 H new ATOM 0 HB2 SER A 260 -13.889 2.282 5.969 1.00 0.00 H new ATOM 0 HB3 SER A 260 -12.844 1.564 4.759 1.00 0.00 H new ATOM 0 HG SER A 260 -13.807 -0.028 6.143 1.00 0.00 H new ATOM 288 N PHE A 261 -11.498 2.393 8.804 1.00 0.00 N ATOM 289 CA PHE A 261 -11.681 2.779 10.199 1.00 0.00 C ATOM 290 C PHE A 261 -10.811 3.990 10.584 1.00 0.00 C ATOM 291 O PHE A 261 -9.610 4.003 10.294 1.00 0.00 O ATOM 292 CB PHE A 261 -11.396 1.593 11.124 1.00 0.00 C ATOM 293 CG PHE A 261 -12.377 0.448 10.999 1.00 0.00 C ATOM 294 CD1 PHE A 261 -13.675 0.574 11.530 1.00 0.00 C ATOM 295 CD2 PHE A 261 -11.990 -0.750 10.368 1.00 0.00 C ATOM 296 CE1 PHE A 261 -14.582 -0.498 11.431 1.00 0.00 C ATOM 297 CE2 PHE A 261 -12.892 -1.823 10.280 1.00 0.00 C ATOM 298 CZ PHE A 261 -14.189 -1.697 10.808 1.00 0.00 C ATOM 0 H PHE A 261 -10.889 1.585 8.679 1.00 0.00 H new ATOM 0 HA PHE A 261 -12.722 3.079 10.320 1.00 0.00 H new ATOM 0 HB2 PHE A 261 -10.393 1.220 10.916 1.00 0.00 H new ATOM 0 HB3 PHE A 261 -11.398 1.945 12.156 1.00 0.00 H new ATOM 0 HD1 PHE A 261 -13.975 1.492 12.013 1.00 0.00 H new ATOM 0 HD2 PHE A 261 -10.998 -0.844 9.951 1.00 0.00 H new ATOM 0 HE1 PHE A 261 -15.580 -0.400 11.833 1.00 0.00 H new ATOM 0 HE2 PHE A 261 -12.589 -2.745 9.807 1.00 0.00 H new ATOM 0 HZ PHE A 261 -14.884 -2.521 10.735 1.00 0.00 H new ATOM 308 N PRO A 262 -11.390 4.979 11.295 1.00 0.00 N ATOM 309 CA PRO A 262 -10.694 6.185 11.736 1.00 0.00 C ATOM 310 C PRO A 262 -9.693 5.900 12.865 1.00 0.00 C ATOM 311 O PRO A 262 -8.655 6.552 12.948 1.00 0.00 O ATOM 312 CB PRO A 262 -11.813 7.113 12.207 1.00 0.00 C ATOM 313 CG PRO A 262 -12.906 6.170 12.706 1.00 0.00 C ATOM 314 CD PRO A 262 -12.770 4.983 11.762 1.00 0.00 C ATOM 0 HA PRO A 262 -10.094 6.620 10.937 1.00 0.00 H new ATOM 0 HB2 PRO A 262 -11.470 7.778 13.000 1.00 0.00 H new ATOM 0 HB3 PRO A 262 -12.174 7.744 11.395 1.00 0.00 H new ATOM 0 HG2 PRO A 262 -12.751 5.882 13.746 1.00 0.00 H new ATOM 0 HG3 PRO A 262 -13.894 6.626 12.646 1.00 0.00 H new ATOM 0 HD2 PRO A 262 -13.008 4.051 12.275 1.00 0.00 H new ATOM 0 HD3 PRO A 262 -13.462 5.072 10.925 1.00 0.00 H new ATOM 322 N ASN A 263 -9.976 4.889 13.694 1.00 0.00 N ATOM 323 CA ASN A 263 -9.073 4.380 14.734 1.00 0.00 C ATOM 324 C ASN A 263 -7.890 3.550 14.180 1.00 0.00 C ATOM 325 O ASN A 263 -6.974 3.203 14.932 1.00 0.00 O ATOM 326 CB ASN A 263 -9.899 3.599 15.771 1.00 0.00 C ATOM 327 CG ASN A 263 -10.622 2.390 15.177 1.00 0.00 C ATOM 328 OD1 ASN A 263 -10.012 1.429 14.728 1.00 0.00 O ATOM 329 ND2 ASN A 263 -11.944 2.410 15.139 1.00 0.00 N ATOM 0 H ASN A 263 -10.864 4.388 13.660 1.00 0.00 H new ATOM 0 HA ASN A 263 -8.598 5.235 15.215 1.00 0.00 H new ATOM 0 HB2 ASN A 263 -9.241 3.263 16.572 1.00 0.00 H new ATOM 0 HB3 ASN A 263 -10.633 4.268 16.221 1.00 0.00 H new ATOM 0 HD21 ASN A 263 -12.455 1.625 14.736 1.00 0.00 H new ATOM 0 HD22 ASN A 263 -12.453 3.211 15.513 1.00 0.00 H new ATOM 336 N CYS A 264 -7.891 3.269 12.869 1.00 0.00 N ATOM 337 CA CYS A 264 -6.812 2.618 12.131 1.00 0.00 C ATOM 338 C CYS A 264 -6.052 3.674 11.315 1.00 0.00 C ATOM 339 O CYS A 264 -4.977 4.124 11.722 1.00 0.00 O ATOM 340 CB CYS A 264 -7.413 1.506 11.254 1.00 0.00 C ATOM 341 SG CYS A 264 -6.405 0.004 11.263 1.00 0.00 S ATOM 0 H CYS A 264 -8.684 3.503 12.271 1.00 0.00 H new ATOM 0 HA CYS A 264 -6.093 2.153 12.806 1.00 0.00 H new ATOM 0 HB2 CYS A 264 -8.416 1.270 11.608 1.00 0.00 H new ATOM 0 HB3 CYS A 264 -7.513 1.868 10.231 1.00 0.00 H new ATOM 0 HG CYS A 264 -7.172 -1.034 11.107 1.00 0.00 H new ATOM 346 N GLY A 265 -6.615 4.061 10.161 1.00 0.00 N ATOM 347 CA GLY A 265 -6.001 4.973 9.202 1.00 0.00 C ATOM 348 C GLY A 265 -4.706 4.430 8.588 1.00 0.00 C ATOM 349 O GLY A 265 -3.932 5.195 8.014 1.00 0.00 O ATOM 0 H GLY A 265 -7.536 3.736 9.867 1.00 0.00 H new ATOM 0 HA2 GLY A 265 -6.713 5.182 8.404 1.00 0.00 H new ATOM 0 HA3 GLY A 265 -5.790 5.921 9.697 1.00 0.00 H new ATOM 353 N LYS A 266 -4.459 3.124 8.721 1.00 0.00 N ATOM 354 CA LYS A 266 -3.220 2.452 8.322 1.00 0.00 C ATOM 355 C LYS A 266 -3.124 2.275 6.802 1.00 0.00 C ATOM 356 O LYS A 266 -4.138 2.005 6.157 1.00 0.00 O ATOM 357 CB LYS A 266 -3.149 1.090 9.027 1.00 0.00 C ATOM 358 CG LYS A 266 -2.987 1.240 10.538 1.00 0.00 C ATOM 359 CD LYS A 266 -2.770 -0.143 11.154 1.00 0.00 C ATOM 360 CE LYS A 266 -2.643 -0.052 12.666 1.00 0.00 C ATOM 361 NZ LYS A 266 -3.926 0.357 13.299 1.00 0.00 N ATOM 0 H LYS A 266 -5.142 2.482 9.124 1.00 0.00 H new ATOM 0 HA LYS A 266 -2.376 3.075 8.619 1.00 0.00 H new ATOM 0 HB2 LYS A 266 -4.055 0.523 8.813 1.00 0.00 H new ATOM 0 HB3 LYS A 266 -2.312 0.517 8.627 1.00 0.00 H new ATOM 0 HG2 LYS A 266 -2.141 1.890 10.764 1.00 0.00 H new ATOM 0 HG3 LYS A 266 -3.873 1.709 10.967 1.00 0.00 H new ATOM 0 HD2 LYS A 266 -3.603 -0.796 10.894 1.00 0.00 H new ATOM 0 HD3 LYS A 266 -1.870 -0.594 10.736 1.00 0.00 H new ATOM 0 HE2 LYS A 266 -2.331 -1.018 13.064 1.00 0.00 H new ATOM 0 HE3 LYS A 266 -1.864 0.666 12.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 266 -4.112 -0.244 14.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 266 -3.864 1.351 13.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 266 -4.701 0.251 12.613 1.00 0.00 H new ATOM 375 N TRP A 267 -1.918 2.381 6.229 1.00 0.00 N ATOM 376 CA TRP A 267 -1.695 2.252 4.789 1.00 0.00 C ATOM 377 C TRP A 267 -0.996 0.930 4.476 1.00 0.00 C ATOM 378 O TRP A 267 0.223 0.818 4.573 1.00 0.00 O ATOM 379 CB TRP A 267 -0.882 3.440 4.271 1.00 0.00 C ATOM 380 CG TRP A 267 -1.580 4.762 4.289 1.00 0.00 C ATOM 381 CD1 TRP A 267 -1.641 5.608 5.340 1.00 0.00 C ATOM 382 CD2 TRP A 267 -2.306 5.417 3.205 1.00 0.00 C ATOM 383 NE1 TRP A 267 -2.310 6.758 4.969 1.00 0.00 N ATOM 384 CE2 TRP A 267 -2.729 6.704 3.656 1.00 0.00 C ATOM 385 CE3 TRP A 267 -2.644 5.055 1.883 1.00 0.00 C ATOM 386 CZ2 TRP A 267 -3.417 7.601 2.824 1.00 0.00 C ATOM 387 CZ3 TRP A 267 -3.340 5.945 1.044 1.00 0.00 C ATOM 388 CH2 TRP A 267 -3.706 7.222 1.501 1.00 0.00 C ATOM 0 H TRP A 267 -1.065 2.560 6.759 1.00 0.00 H new ATOM 0 HA TRP A 267 -2.659 2.253 4.281 1.00 0.00 H new ATOM 0 HB2 TRP A 267 0.027 3.522 4.867 1.00 0.00 H new ATOM 0 HB3 TRP A 267 -0.574 3.227 3.247 1.00 0.00 H new ATOM 0 HD1 TRP A 267 -1.230 5.415 6.320 1.00 0.00 H new ATOM 0 HE1 TRP A 267 -2.474 7.550 5.590 1.00 0.00 H new ATOM 0 HE3 TRP A 267 -2.364 4.081 1.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 267 -3.720 8.569 3.195 1.00 0.00 H new ATOM 0 HZ3 TRP A 267 -3.595 5.643 0.039 1.00 0.00 H new ATOM 0 HH2 TRP A 267 -4.208 7.911 0.838 1.00 0.00 H new ATOM 399 N ARG A 268 -1.775 -0.070 4.063 1.00 0.00 N ATOM 400 CA ARG A 268 -1.232 -1.369 3.654 1.00 0.00 C ATOM 401 C ARG A 268 -0.785 -1.323 2.189 1.00 0.00 C ATOM 402 O ARG A 268 -1.316 -0.538 1.391 1.00 0.00 O ATOM 403 CB ARG A 268 -2.227 -2.507 3.916 1.00 0.00 C ATOM 404 CG ARG A 268 -2.865 -2.513 5.316 1.00 0.00 C ATOM 405 CD ARG A 268 -1.890 -2.496 6.491 1.00 0.00 C ATOM 406 NE ARG A 268 -2.643 -2.673 7.739 1.00 0.00 N ATOM 407 CZ ARG A 268 -2.145 -2.830 8.952 1.00 0.00 C ATOM 408 NH1 ARG A 268 -0.872 -2.650 9.224 1.00 0.00 N ATOM 409 NH2 ARG A 268 -2.960 -3.161 9.917 1.00 0.00 N ATOM 0 H ARG A 268 -2.791 -0.006 4.002 1.00 0.00 H new ATOM 0 HA ARG A 268 -0.354 -1.579 4.265 1.00 0.00 H new ATOM 0 HB2 ARG A 268 -3.022 -2.451 3.173 1.00 0.00 H new ATOM 0 HB3 ARG A 268 -1.715 -3.457 3.764 1.00 0.00 H new ATOM 0 HG2 ARG A 268 -3.520 -1.646 5.400 1.00 0.00 H new ATOM 0 HG3 ARG A 268 -3.495 -3.398 5.404 1.00 0.00 H new ATOM 0 HD2 ARG A 268 -1.153 -3.291 6.380 1.00 0.00 H new ATOM 0 HD3 ARG A 268 -1.342 -1.554 6.512 1.00 0.00 H new ATOM 0 HE ARG A 268 -3.660 -2.675 7.661 1.00 0.00 H new ATOM 0 HH11 ARG A 268 -0.226 -2.378 8.483 1.00 0.00 H new ATOM 0 HH12 ARG A 268 -0.530 -2.782 10.176 1.00 0.00 H new ATOM 0 HH21 ARG A 268 -3.953 -3.291 9.724 1.00 0.00 H new ATOM 0 HH22 ARG A 268 -2.604 -3.289 10.864 1.00 0.00 H new ATOM 423 N ARG A 269 0.206 -2.155 1.862 1.00 0.00 N ATOM 424 CA ARG A 269 0.901 -2.204 0.571 1.00 0.00 C ATOM 425 C ARG A 269 0.383 -3.378 -0.274 1.00 0.00 C ATOM 426 O ARG A 269 0.272 -4.496 0.234 1.00 0.00 O ATOM 427 CB ARG A 269 2.409 -2.345 0.854 1.00 0.00 C ATOM 428 CG ARG A 269 3.265 -1.809 -0.298 1.00 0.00 C ATOM 429 CD ARG A 269 4.763 -2.074 -0.080 1.00 0.00 C ATOM 430 NE ARG A 269 5.120 -3.461 -0.438 1.00 0.00 N ATOM 431 CZ ARG A 269 5.376 -4.477 0.380 1.00 0.00 C ATOM 432 NH1 ARG A 269 5.371 -4.351 1.691 1.00 0.00 N ATOM 433 NH2 ARG A 269 5.643 -5.660 -0.128 1.00 0.00 N ATOM 0 H ARG A 269 0.564 -2.847 2.521 1.00 0.00 H new ATOM 0 HA ARG A 269 0.715 -1.293 0.002 1.00 0.00 H new ATOM 0 HB2 ARG A 269 2.657 -1.808 1.770 1.00 0.00 H new ATOM 0 HB3 ARG A 269 2.649 -3.394 1.025 1.00 0.00 H new ATOM 0 HG2 ARG A 269 2.948 -2.274 -1.231 1.00 0.00 H new ATOM 0 HG3 ARG A 269 3.099 -0.737 -0.404 1.00 0.00 H new ATOM 0 HD2 ARG A 269 5.349 -1.379 -0.681 1.00 0.00 H new ATOM 0 HD3 ARG A 269 5.019 -1.888 0.963 1.00 0.00 H new ATOM 0 HE ARG A 269 5.177 -3.665 -1.436 1.00 0.00 H new ATOM 0 HH11 ARG A 269 5.165 -3.447 2.116 1.00 0.00 H new ATOM 0 HH12 ARG A 269 5.573 -5.158 2.282 1.00 0.00 H new ATOM 0 HH21 ARG A 269 5.652 -5.790 -1.140 1.00 0.00 H new ATOM 0 HH22 ARG A 269 5.841 -6.447 0.490 1.00 0.00 H new ATOM 447 N LEU A 270 0.065 -3.131 -1.548 1.00 0.00 N ATOM 448 CA LEU A 270 -0.529 -4.111 -2.472 1.00 0.00 C ATOM 449 C LEU A 270 0.431 -4.519 -3.599 1.00 0.00 C ATOM 450 O LEU A 270 1.435 -3.852 -3.861 1.00 0.00 O ATOM 451 CB LEU A 270 -1.828 -3.541 -3.073 1.00 0.00 C ATOM 452 CG LEU A 270 -2.915 -3.141 -2.061 1.00 0.00 C ATOM 453 CD1 LEU A 270 -4.142 -2.675 -2.847 1.00 0.00 C ATOM 454 CD2 LEU A 270 -3.333 -4.277 -1.118 1.00 0.00 C ATOM 0 H LEU A 270 0.216 -2.220 -1.980 1.00 0.00 H new ATOM 0 HA LEU A 270 -0.745 -5.009 -1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 270 -1.576 -2.666 -3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 270 -2.247 -4.282 -3.754 1.00 0.00 H new ATOM 0 HG LEU A 270 -2.499 -2.354 -1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 270 -4.930 -2.385 -2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 270 -3.873 -1.821 -3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 270 -4.498 -3.487 -3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 270 -4.102 -3.918 -0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 270 -3.726 -5.109 -1.702 1.00 0.00 H new ATOM 0 HD23 LEU A 270 -2.468 -4.612 -0.546 1.00 0.00 H new ATOM 529 N PRO A 276 -5.838 1.004 -7.966 1.00 0.00 N ATOM 530 CA PRO A 276 -6.803 1.613 -7.055 1.00 0.00 C ATOM 531 C PRO A 276 -8.141 1.990 -7.714 1.00 0.00 C ATOM 532 O PRO A 276 -9.116 2.216 -7.002 1.00 0.00 O ATOM 533 CB PRO A 276 -6.082 2.812 -6.437 1.00 0.00 C ATOM 534 CG PRO A 276 -5.052 3.200 -7.491 1.00 0.00 C ATOM 535 CD PRO A 276 -4.664 1.856 -8.099 1.00 0.00 C ATOM 0 HA PRO A 276 -7.111 0.895 -6.295 1.00 0.00 H new ATOM 0 HB2 PRO A 276 -6.771 3.631 -6.231 1.00 0.00 H new ATOM 0 HB3 PRO A 276 -5.607 2.550 -5.491 1.00 0.00 H new ATOM 0 HG2 PRO A 276 -5.472 3.875 -8.237 1.00 0.00 H new ATOM 0 HG3 PRO A 276 -4.194 3.707 -7.050 1.00 0.00 H new ATOM 0 HD2 PRO A 276 -4.379 1.968 -9.145 1.00 0.00 H new ATOM 0 HD3 PRO A 276 -3.808 1.425 -7.580 1.00 0.00 H new ATOM 543 N SER A 277 -8.240 1.983 -9.048 1.00 0.00 N ATOM 544 CA SER A 277 -9.510 2.154 -9.770 1.00 0.00 C ATOM 545 C SER A 277 -10.422 0.905 -9.696 1.00 0.00 C ATOM 546 O SER A 277 -11.618 1.006 -9.982 1.00 0.00 O ATOM 547 CB SER A 277 -9.210 2.540 -11.231 1.00 0.00 C ATOM 548 OG SER A 277 -10.336 3.087 -11.908 1.00 0.00 O ATOM 0 H SER A 277 -7.436 1.858 -9.663 1.00 0.00 H new ATOM 0 HA SER A 277 -10.068 2.954 -9.283 1.00 0.00 H new ATOM 0 HB2 SER A 277 -8.396 3.265 -11.249 1.00 0.00 H new ATOM 0 HB3 SER A 277 -8.863 1.658 -11.769 1.00 0.00 H new ATOM 0 HG SER A 277 -11.160 2.755 -11.493 1.00 0.00 H new ATOM 554 N VAL A 278 -9.900 -0.257 -9.260 1.00 0.00 N ATOM 555 CA VAL A 278 -10.670 -1.515 -9.086 1.00 0.00 C ATOM 556 C VAL A 278 -10.772 -1.967 -7.615 1.00 0.00 C ATOM 557 O VAL A 278 -10.988 -3.148 -7.340 1.00 0.00 O ATOM 558 CB VAL A 278 -10.189 -2.653 -10.027 1.00 0.00 C ATOM 559 CG1 VAL A 278 -10.303 -2.243 -11.505 1.00 0.00 C ATOM 560 CG2 VAL A 278 -8.760 -3.147 -9.746 1.00 0.00 C ATOM 0 H VAL A 278 -8.915 -0.355 -9.013 1.00 0.00 H new ATOM 0 HA VAL A 278 -11.688 -1.276 -9.394 1.00 0.00 H new ATOM 0 HB VAL A 278 -10.859 -3.486 -9.815 1.00 0.00 H new ATOM 0 HG11 VAL A 278 -9.959 -3.061 -12.137 1.00 0.00 H new ATOM 0 HG12 VAL A 278 -11.343 -2.016 -11.740 1.00 0.00 H new ATOM 0 HG13 VAL A 278 -9.689 -1.361 -11.686 1.00 0.00 H new ATOM 0 HG21 VAL A 278 -8.505 -3.941 -10.448 1.00 0.00 H new ATOM 0 HG22 VAL A 278 -8.060 -2.320 -9.863 1.00 0.00 H new ATOM 0 HG23 VAL A 278 -8.701 -3.531 -8.727 1.00 0.00 H new ATOM 570 N LEU A 279 -10.634 -1.033 -6.659 1.00 0.00 N ATOM 571 CA LEU A 279 -10.727 -1.296 -5.213 1.00 0.00 C ATOM 572 C LEU A 279 -11.940 -0.596 -4.553 1.00 0.00 C ATOM 573 O LEU A 279 -12.397 0.438 -5.056 1.00 0.00 O ATOM 574 CB LEU A 279 -9.395 -0.918 -4.534 1.00 0.00 C ATOM 575 CG LEU A 279 -8.225 -1.848 -4.918 1.00 0.00 C ATOM 576 CD1 LEU A 279 -6.920 -1.307 -4.330 1.00 0.00 C ATOM 577 CD2 LEU A 279 -8.444 -3.274 -4.379 1.00 0.00 C ATOM 0 H LEU A 279 -10.451 -0.053 -6.875 1.00 0.00 H new ATOM 0 HA LEU A 279 -10.902 -2.363 -5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 279 -9.138 0.107 -4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 279 -9.528 -0.941 -3.452 1.00 0.00 H new ATOM 0 HG LEU A 279 -8.172 -1.882 -6.006 1.00 0.00 H new ATOM 0 HD11 LEU A 279 -6.097 -1.967 -4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 279 -6.731 -0.308 -4.723 1.00 0.00 H new ATOM 0 HD13 LEU A 279 -7.002 -1.260 -3.244 1.00 0.00 H new ATOM 0 HD21 LEU A 279 -7.603 -3.905 -4.666 1.00 0.00 H new ATOM 0 HD22 LEU A 279 -8.521 -3.244 -3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 279 -9.364 -3.684 -4.797 1.00 0.00 H new ATOM 589 N PRO A 280 -12.478 -1.169 -3.455 1.00 0.00 N ATOM 590 CA PRO A 280 -13.736 -0.757 -2.835 1.00 0.00 C ATOM 591 C PRO A 280 -13.595 0.525 -2.008 1.00 0.00 C ATOM 592 O PRO A 280 -12.543 0.802 -1.434 1.00 0.00 O ATOM 593 CB PRO A 280 -14.161 -1.942 -1.957 1.00 0.00 C ATOM 594 CG PRO A 280 -12.848 -2.628 -1.594 1.00 0.00 C ATOM 595 CD PRO A 280 -11.975 -2.376 -2.811 1.00 0.00 C ATOM 0 HA PRO A 280 -14.481 -0.517 -3.593 1.00 0.00 H new ATOM 0 HB2 PRO A 280 -14.695 -1.607 -1.068 1.00 0.00 H new ATOM 0 HB3 PRO A 280 -14.828 -2.617 -2.494 1.00 0.00 H new ATOM 0 HG2 PRO A 280 -12.410 -2.205 -0.690 1.00 0.00 H new ATOM 0 HG3 PRO A 280 -12.987 -3.694 -1.413 1.00 0.00 H new ATOM 0 HD2 PRO A 280 -10.933 -2.251 -2.518 1.00 0.00 H new ATOM 0 HD3 PRO A 280 -12.014 -3.223 -3.496 1.00 0.00 H new ATOM 603 N ASP A 281 -14.691 1.284 -1.899 1.00 0.00 N ATOM 604 CA ASP A 281 -14.779 2.515 -1.097 1.00 0.00 C ATOM 605 C ASP A 281 -14.781 2.262 0.426 1.00 0.00 C ATOM 606 O ASP A 281 -14.601 3.192 1.211 1.00 0.00 O ATOM 607 CB ASP A 281 -16.038 3.299 -1.502 1.00 0.00 C ATOM 608 CG ASP A 281 -15.973 3.811 -2.950 1.00 0.00 C ATOM 609 OD1 ASP A 281 -15.277 4.826 -3.194 1.00 0.00 O ATOM 610 OD2 ASP A 281 -16.634 3.213 -3.832 1.00 0.00 O ATOM 0 H ASP A 281 -15.563 1.056 -2.376 1.00 0.00 H new ATOM 0 HA ASP A 281 -13.880 3.095 -1.308 1.00 0.00 H new ATOM 0 HB2 ASP A 281 -16.913 2.660 -1.385 1.00 0.00 H new ATOM 0 HB3 ASP A 281 -16.168 4.145 -0.827 1.00 0.00 H new ATOM 615 N ASN A 282 -14.932 1.001 0.840 1.00 0.00 N ATOM 616 CA ASN A 282 -14.956 0.538 2.233 1.00 0.00 C ATOM 617 C ASN A 282 -13.822 -0.475 2.512 1.00 0.00 C ATOM 618 O ASN A 282 -13.946 -1.341 3.381 1.00 0.00 O ATOM 619 CB ASN A 282 -16.353 -0.030 2.549 1.00 0.00 C ATOM 620 CG ASN A 282 -17.459 1.009 2.397 1.00 0.00 C ATOM 621 OD1 ASN A 282 -18.106 1.118 1.361 1.00 0.00 O ATOM 622 ND2 ASN A 282 -17.721 1.794 3.427 1.00 0.00 N ATOM 0 H ASN A 282 -15.047 0.233 0.178 1.00 0.00 H new ATOM 0 HA ASN A 282 -14.770 1.379 2.901 1.00 0.00 H new ATOM 0 HB2 ASN A 282 -16.557 -0.871 1.887 1.00 0.00 H new ATOM 0 HB3 ASN A 282 -16.361 -0.417 3.568 1.00 0.00 H new ATOM 0 HD21 ASN A 282 -18.462 2.492 3.361 1.00 0.00 H new ATOM 0 HD22 ASN A 282 -17.182 1.702 4.288 1.00 0.00 H new ATOM 629 N TRP A 283 -12.717 -0.383 1.760 1.00 0.00 N ATOM 630 CA TRP A 283 -11.495 -1.161 1.984 1.00 0.00 C ATOM 631 C TRP A 283 -10.968 -1.011 3.426 1.00 0.00 C ATOM 632 O TRP A 283 -10.939 0.087 3.975 1.00 0.00 O ATOM 633 CB TRP A 283 -10.429 -0.736 0.964 1.00 0.00 C ATOM 634 CG TRP A 283 -9.256 -1.656 0.944 1.00 0.00 C ATOM 635 CD1 TRP A 283 -9.089 -2.707 0.111 1.00 0.00 C ATOM 636 CD2 TRP A 283 -8.133 -1.687 1.873 1.00 0.00 C ATOM 637 NE1 TRP A 283 -7.960 -3.413 0.487 1.00 0.00 N ATOM 638 CE2 TRP A 283 -7.355 -2.846 1.590 1.00 0.00 C ATOM 639 CE3 TRP A 283 -7.730 -0.883 2.964 1.00 0.00 C ATOM 640 CZ2 TRP A 283 -6.253 -3.201 2.375 1.00 0.00 C ATOM 641 CZ3 TRP A 283 -6.630 -1.236 3.760 1.00 0.00 C ATOM 642 CH2 TRP A 283 -5.909 -2.401 3.473 1.00 0.00 C ATOM 0 H TRP A 283 -12.648 0.249 0.962 1.00 0.00 H new ATOM 0 HA TRP A 283 -11.731 -2.216 1.847 1.00 0.00 H new ATOM 0 HB2 TRP A 283 -10.876 -0.701 -0.030 1.00 0.00 H new ATOM 0 HB3 TRP A 283 -10.090 0.274 1.197 1.00 0.00 H new ATOM 0 HD1 TRP A 283 -9.735 -2.957 -0.718 1.00 0.00 H new ATOM 0 HE1 TRP A 283 -7.618 -4.247 0.009 1.00 0.00 H new ATOM 0 HE3 TRP A 283 -8.279 0.019 3.189 1.00 0.00 H new ATOM 0 HZ2 TRP A 283 -5.674 -4.081 2.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 283 -6.340 -0.611 4.592 1.00 0.00 H new ATOM 0 HH2 TRP A 283 -5.080 -2.686 4.104 1.00 0.00 H new ATOM 653 N SER A 284 -10.509 -2.102 4.029 1.00 0.00 N ATOM 654 CA SER A 284 -9.962 -2.167 5.394 1.00 0.00 C ATOM 655 C SER A 284 -8.804 -3.172 5.458 1.00 0.00 C ATOM 656 O SER A 284 -8.616 -3.945 4.518 1.00 0.00 O ATOM 657 CB SER A 284 -11.065 -2.567 6.387 1.00 0.00 C ATOM 658 OG SER A 284 -11.594 -3.861 6.103 1.00 0.00 O ATOM 0 H SER A 284 -10.505 -3.010 3.565 1.00 0.00 H new ATOM 0 HA SER A 284 -9.583 -1.181 5.665 1.00 0.00 H new ATOM 0 HB2 SER A 284 -10.663 -2.554 7.400 1.00 0.00 H new ATOM 0 HB3 SER A 284 -11.868 -1.831 6.353 1.00 0.00 H new ATOM 0 HG SER A 284 -12.291 -4.080 6.756 1.00 0.00 H new ATOM 664 N CYS A 285 -8.050 -3.205 6.566 1.00 0.00 N ATOM 665 CA CYS A 285 -6.945 -4.157 6.753 1.00 0.00 C ATOM 666 C CYS A 285 -7.360 -5.627 6.473 1.00 0.00 C ATOM 667 O CYS A 285 -6.562 -6.415 5.970 1.00 0.00 O ATOM 668 CB CYS A 285 -6.385 -4.063 8.185 1.00 0.00 C ATOM 669 SG CYS A 285 -5.759 -2.420 8.626 1.00 0.00 S ATOM 0 H CYS A 285 -8.188 -2.575 7.356 1.00 0.00 H new ATOM 0 HA CYS A 285 -6.181 -3.879 6.027 1.00 0.00 H new ATOM 0 HB2 CYS A 285 -7.168 -4.343 8.889 1.00 0.00 H new ATOM 0 HB3 CYS A 285 -5.580 -4.789 8.298 1.00 0.00 H new ATOM 0 HG CYS A 285 -6.724 -1.553 8.549 1.00 0.00 H new ATOM 674 N ASP A 286 -8.619 -5.991 6.751 1.00 0.00 N ATOM 675 CA ASP A 286 -9.203 -7.318 6.485 1.00 0.00 C ATOM 676 C ASP A 286 -9.295 -7.670 4.981 1.00 0.00 C ATOM 677 O ASP A 286 -9.471 -8.835 4.619 1.00 0.00 O ATOM 678 CB ASP A 286 -10.587 -7.369 7.153 1.00 0.00 C ATOM 679 CG ASP A 286 -11.231 -8.766 7.103 1.00 0.00 C ATOM 680 OD1 ASP A 286 -10.722 -9.688 7.784 1.00 0.00 O ATOM 681 OD2 ASP A 286 -12.269 -8.925 6.417 1.00 0.00 O ATOM 0 H ASP A 286 -9.284 -5.349 7.182 1.00 0.00 H new ATOM 0 HA ASP A 286 -8.539 -8.072 6.906 1.00 0.00 H new ATOM 0 HB2 ASP A 286 -10.494 -7.056 8.193 1.00 0.00 H new ATOM 0 HB3 ASP A 286 -11.247 -6.654 6.663 1.00 0.00 H new ATOM 686 N GLN A 287 -9.141 -6.676 4.101 1.00 0.00 N ATOM 687 CA GLN A 287 -9.201 -6.780 2.641 1.00 0.00 C ATOM 688 C GLN A 287 -7.796 -6.690 1.996 1.00 0.00 C ATOM 689 O GLN A 287 -7.673 -6.522 0.781 1.00 0.00 O ATOM 690 CB GLN A 287 -10.175 -5.699 2.126 1.00 0.00 C ATOM 691 CG GLN A 287 -11.627 -5.991 2.550 1.00 0.00 C ATOM 692 CD GLN A 287 -12.550 -4.787 2.373 1.00 0.00 C ATOM 693 OE1 GLN A 287 -13.027 -4.484 1.288 1.00 0.00 O ATOM 694 NE2 GLN A 287 -12.830 -4.046 3.426 1.00 0.00 N ATOM 0 H GLN A 287 -8.960 -5.720 4.408 1.00 0.00 H new ATOM 0 HA GLN A 287 -9.576 -7.761 2.349 1.00 0.00 H new ATOM 0 HB2 GLN A 287 -9.873 -4.725 2.510 1.00 0.00 H new ATOM 0 HB3 GLN A 287 -10.117 -5.645 1.039 1.00 0.00 H new ATOM 0 HG2 GLN A 287 -12.011 -6.826 1.964 1.00 0.00 H new ATOM 0 HG3 GLN A 287 -11.640 -6.302 3.595 1.00 0.00 H new ATOM 0 HE21 GLN A 287 -12.440 -4.286 4.337 1.00 0.00 H new ATOM 0 HE22 GLN A 287 -13.437 -3.232 3.330 1.00 0.00 H new ATOM 703 N ASN A 288 -6.727 -6.816 2.793 1.00 0.00 N ATOM 704 CA ASN A 288 -5.337 -6.822 2.323 1.00 0.00 C ATOM 705 C ASN A 288 -4.933 -8.128 1.615 1.00 0.00 C ATOM 706 O ASN A 288 -5.475 -9.203 1.896 1.00 0.00 O ATOM 707 CB ASN A 288 -4.397 -6.536 3.508 1.00 0.00 C ATOM 708 CG ASN A 288 -3.020 -6.073 3.048 1.00 0.00 C ATOM 709 OD1 ASN A 288 -2.895 -5.235 2.168 1.00 0.00 O ATOM 710 ND2 ASN A 288 -1.949 -6.631 3.577 1.00 0.00 N ATOM 0 H ASN A 288 -6.807 -6.919 3.805 1.00 0.00 H new ATOM 0 HA ASN A 288 -5.249 -6.037 1.572 1.00 0.00 H new ATOM 0 HB2 ASN A 288 -4.841 -5.772 4.147 1.00 0.00 H new ATOM 0 HB3 ASN A 288 -4.293 -7.437 4.113 1.00 0.00 H new ATOM 0 HD21 ASN A 288 -1.020 -6.363 3.251 1.00 0.00 H new ATOM 0 HD22 ASN A 288 -2.049 -7.331 4.312 1.00 0.00 H new ATOM 717 N THR A 289 -3.931 -8.035 0.730 1.00 0.00 N ATOM 718 CA THR A 289 -3.375 -9.158 -0.049 1.00 0.00 C ATOM 719 C THR A 289 -2.206 -9.858 0.639 1.00 0.00 C ATOM 720 O THR A 289 -1.800 -10.933 0.202 1.00 0.00 O ATOM 721 CB THR A 289 -2.967 -8.680 -1.445 1.00 0.00 C ATOM 722 OG1 THR A 289 -2.097 -7.571 -1.348 1.00 0.00 O ATOM 723 CG2 THR A 289 -4.200 -8.248 -2.235 1.00 0.00 C ATOM 0 H THR A 289 -3.468 -7.149 0.528 1.00 0.00 H new ATOM 0 HA THR A 289 -4.168 -9.902 -0.130 1.00 0.00 H new ATOM 0 HB THR A 289 -2.466 -9.506 -1.951 1.00 0.00 H new ATOM 0 HG1 THR A 289 -1.842 -7.276 -2.247 1.00 0.00 H new ATOM 0 HG21 THR A 289 -3.897 -7.910 -3.226 1.00 0.00 H new ATOM 0 HG22 THR A 289 -4.884 -9.091 -2.332 1.00 0.00 H new ATOM 0 HG23 THR A 289 -4.701 -7.434 -1.711 1.00 0.00 H new ATOM 731 N ASP A 290 -1.685 -9.275 1.719 1.00 0.00 N ATOM 732 CA ASP A 290 -0.534 -9.771 2.474 1.00 0.00 C ATOM 733 C ASP A 290 -0.932 -10.139 3.914 1.00 0.00 C ATOM 734 O ASP A 290 -1.325 -9.277 4.703 1.00 0.00 O ATOM 735 CB ASP A 290 0.594 -8.718 2.447 1.00 0.00 C ATOM 736 CG ASP A 290 1.923 -9.305 1.937 1.00 0.00 C ATOM 737 OD1 ASP A 290 2.290 -10.419 2.376 1.00 0.00 O ATOM 738 OD2 ASP A 290 2.589 -8.651 1.100 1.00 0.00 O ATOM 0 H ASP A 290 -2.067 -8.412 2.106 1.00 0.00 H new ATOM 0 HA ASP A 290 -0.167 -10.684 2.004 1.00 0.00 H new ATOM 0 HB2 ASP A 290 0.297 -7.886 1.809 1.00 0.00 H new ATOM 0 HB3 ASP A 290 0.737 -8.315 3.450 1.00 0.00 H new ATOM 743 N VAL A 291 -0.810 -11.424 4.260 1.00 0.00 N ATOM 744 CA VAL A 291 -1.259 -12.001 5.551 1.00 0.00 C ATOM 745 C VAL A 291 -0.480 -11.476 6.764 1.00 0.00 C ATOM 746 O VAL A 291 -0.938 -11.581 7.901 1.00 0.00 O ATOM 747 CB VAL A 291 -1.202 -13.547 5.559 1.00 0.00 C ATOM 748 CG1 VAL A 291 -2.100 -14.128 4.456 1.00 0.00 C ATOM 749 CG2 VAL A 291 0.234 -14.084 5.403 1.00 0.00 C ATOM 0 H VAL A 291 -0.387 -12.117 3.642 1.00 0.00 H new ATOM 0 HA VAL A 291 -2.295 -11.673 5.642 1.00 0.00 H new ATOM 0 HB VAL A 291 -1.569 -13.869 6.533 1.00 0.00 H new ATOM 0 HG11 VAL A 291 -2.046 -15.216 4.478 1.00 0.00 H new ATOM 0 HG12 VAL A 291 -3.130 -13.812 4.622 1.00 0.00 H new ATOM 0 HG13 VAL A 291 -1.762 -13.768 3.484 1.00 0.00 H new ATOM 0 HG21 VAL A 291 0.218 -15.174 5.415 1.00 0.00 H new ATOM 0 HG22 VAL A 291 0.651 -13.737 4.458 1.00 0.00 H new ATOM 0 HG23 VAL A 291 0.850 -13.721 6.226 1.00 0.00 H new ATOM 759 N GLN A 292 0.691 -10.889 6.512 1.00 0.00 N ATOM 760 CA GLN A 292 1.542 -10.242 7.508 1.00 0.00 C ATOM 761 C GLN A 292 0.954 -8.928 8.043 1.00 0.00 C ATOM 762 O GLN A 292 1.366 -8.482 9.112 1.00 0.00 O ATOM 763 CB GLN A 292 2.965 -10.057 6.946 1.00 0.00 C ATOM 764 CG GLN A 292 3.044 -9.734 5.445 1.00 0.00 C ATOM 765 CD GLN A 292 4.428 -9.257 4.995 1.00 0.00 C ATOM 766 OE1 GLN A 292 4.613 -8.138 4.530 1.00 0.00 O ATOM 767 NE2 GLN A 292 5.457 -10.075 5.109 1.00 0.00 N ATOM 0 H GLN A 292 1.086 -10.851 5.573 1.00 0.00 H new ATOM 0 HA GLN A 292 1.594 -10.903 8.373 1.00 0.00 H new ATOM 0 HB2 GLN A 292 3.454 -9.255 7.499 1.00 0.00 H new ATOM 0 HB3 GLN A 292 3.533 -10.968 7.135 1.00 0.00 H new ATOM 0 HG2 GLN A 292 2.772 -10.623 4.875 1.00 0.00 H new ATOM 0 HG3 GLN A 292 2.309 -8.965 5.208 1.00 0.00 H new ATOM 0 HE21 GLN A 292 5.325 -11.010 5.493 1.00 0.00 H new ATOM 0 HE22 GLN A 292 6.385 -9.772 4.813 1.00 0.00 H new ATOM 776 N TYR A 293 -0.032 -8.342 7.350 1.00 0.00 N ATOM 777 CA TYR A 293 -0.699 -7.086 7.740 1.00 0.00 C ATOM 778 C TYR A 293 -2.211 -7.079 7.424 1.00 0.00 C ATOM 779 O TYR A 293 -2.814 -6.023 7.229 1.00 0.00 O ATOM 780 CB TYR A 293 0.038 -5.882 7.125 1.00 0.00 C ATOM 781 CG TYR A 293 1.483 -5.715 7.557 1.00 0.00 C ATOM 782 CD1 TYR A 293 2.524 -6.354 6.858 1.00 0.00 C ATOM 783 CD2 TYR A 293 1.784 -4.933 8.687 1.00 0.00 C ATOM 784 CE1 TYR A 293 3.852 -6.247 7.310 1.00 0.00 C ATOM 785 CE2 TYR A 293 3.111 -4.799 9.132 1.00 0.00 C ATOM 786 CZ TYR A 293 4.151 -5.474 8.456 1.00 0.00 C ATOM 787 OH TYR A 293 5.432 -5.397 8.911 1.00 0.00 O ATOM 0 H TYR A 293 -0.398 -8.735 6.483 1.00 0.00 H new ATOM 0 HA TYR A 293 -0.639 -7.004 8.825 1.00 0.00 H new ATOM 0 HB2 TYR A 293 0.009 -5.976 6.039 1.00 0.00 H new ATOM 0 HB3 TYR A 293 -0.508 -4.974 7.381 1.00 0.00 H new ATOM 0 HD1 TYR A 293 2.303 -6.929 5.971 1.00 0.00 H new ATOM 0 HD2 TYR A 293 0.988 -4.431 9.218 1.00 0.00 H new ATOM 0 HE1 TYR A 293 4.644 -6.756 6.781 1.00 0.00 H new ATOM 0 HE2 TYR A 293 3.334 -4.181 9.989 1.00 0.00 H new ATOM 0 HH TYR A 293 5.463 -4.825 9.706 1.00 0.00 H new ATOM 797 N ASN A 294 -2.845 -8.258 7.378 1.00 0.00 N ATOM 798 CA ASN A 294 -4.256 -8.431 6.992 1.00 0.00 C ATOM 799 C ASN A 294 -5.274 -8.237 8.143 1.00 0.00 C ATOM 800 O ASN A 294 -6.405 -8.724 8.067 1.00 0.00 O ATOM 801 CB ASN A 294 -4.445 -9.765 6.251 1.00 0.00 C ATOM 802 CG ASN A 294 -4.451 -10.998 7.158 1.00 0.00 C ATOM 803 OD1 ASN A 294 -4.029 -10.971 8.309 1.00 0.00 O ATOM 804 ND2 ASN A 294 -4.942 -12.121 6.662 1.00 0.00 N ATOM 0 H ASN A 294 -2.384 -9.137 7.612 1.00 0.00 H new ATOM 0 HA ASN A 294 -4.488 -7.615 6.308 1.00 0.00 H new ATOM 0 HB2 ASN A 294 -5.385 -9.730 5.700 1.00 0.00 H new ATOM 0 HB3 ASN A 294 -3.648 -9.874 5.516 1.00 0.00 H new ATOM 0 HD21 ASN A 294 -4.969 -12.963 7.237 1.00 0.00 H new ATOM 0 HD22 ASN A 294 -5.293 -12.145 5.705 1.00 0.00 H new ATOM 811 N ARG A 295 -4.869 -7.556 9.224 1.00 0.00 N ATOM 812 CA ARG A 295 -5.679 -7.295 10.418 1.00 0.00 C ATOM 813 C ARG A 295 -5.424 -5.905 10.991 1.00 0.00 C ATOM 814 O ARG A 295 -4.281 -5.480 11.142 1.00 0.00 O ATOM 815 CB ARG A 295 -5.352 -8.331 11.502 1.00 0.00 C ATOM 816 CG ARG A 295 -6.252 -9.566 11.429 1.00 0.00 C ATOM 817 CD ARG A 295 -5.794 -10.578 12.483 1.00 0.00 C ATOM 818 NE ARG A 295 -6.721 -11.719 12.574 1.00 0.00 N ATOM 819 CZ ARG A 295 -6.609 -12.759 13.395 1.00 0.00 C ATOM 820 NH1 ARG A 295 -5.610 -12.874 14.248 1.00 0.00 N ATOM 821 NH2 ARG A 295 -7.516 -13.711 13.369 1.00 0.00 N ATOM 0 H ARG A 295 -3.932 -7.158 9.291 1.00 0.00 H new ATOM 0 HA ARG A 295 -6.725 -7.361 10.118 1.00 0.00 H new ATOM 0 HB2 ARG A 295 -4.311 -8.639 11.403 1.00 0.00 H new ATOM 0 HB3 ARG A 295 -5.455 -7.869 12.484 1.00 0.00 H new ATOM 0 HG2 ARG A 295 -7.291 -9.286 11.602 1.00 0.00 H new ATOM 0 HG3 ARG A 295 -6.203 -10.010 10.435 1.00 0.00 H new ATOM 0 HD2 ARG A 295 -4.796 -10.938 12.234 1.00 0.00 H new ATOM 0 HD3 ARG A 295 -5.723 -10.087 13.454 1.00 0.00 H new ATOM 0 HE ARG A 295 -7.526 -11.711 11.947 1.00 0.00 H new ATOM 0 HH11 ARG A 295 -4.892 -12.151 14.293 1.00 0.00 H new ATOM 0 HH12 ARG A 295 -5.556 -13.686 14.863 1.00 0.00 H new ATOM 0 HH21 ARG A 295 -8.301 -13.650 12.721 1.00 0.00 H new ATOM 0 HH22 ARG A 295 -7.434 -14.511 13.997 1.00 0.00 H new ATOM 835 N CYS A 296 -6.501 -5.262 11.429 1.00 0.00 N ATOM 836 CA CYS A 296 -6.516 -3.970 12.112 1.00 0.00 C ATOM 837 C CYS A 296 -5.772 -3.929 13.465 1.00 0.00 C ATOM 838 O CYS A 296 -5.445 -2.851 13.966 1.00 0.00 O ATOM 839 CB CYS A 296 -7.992 -3.627 12.309 1.00 0.00 C ATOM 840 SG CYS A 296 -8.640 -2.837 10.815 1.00 0.00 S ATOM 0 H CYS A 296 -7.438 -5.647 11.312 1.00 0.00 H new ATOM 0 HA CYS A 296 -5.976 -3.248 11.499 1.00 0.00 H new ATOM 0 HB2 CYS A 296 -8.559 -4.531 12.529 1.00 0.00 H new ATOM 0 HB3 CYS A 296 -8.110 -2.961 13.164 1.00 0.00 H new ATOM 0 HG CYS A 296 -7.659 -2.570 10.005 1.00 0.00 H new ATOM 845 N ASP A 297 -5.481 -5.095 14.040 1.00 0.00 N ATOM 846 CA ASP A 297 -4.771 -5.250 15.310 1.00 0.00 C ATOM 847 C ASP A 297 -3.254 -5.388 15.087 1.00 0.00 C ATOM 848 O ASP A 297 -2.480 -5.507 16.037 1.00 0.00 O ATOM 849 CB ASP A 297 -5.397 -6.444 16.037 1.00 0.00 C ATOM 850 CG ASP A 297 -4.927 -6.586 17.496 1.00 0.00 C ATOM 851 OD1 ASP A 297 -5.159 -5.649 18.298 1.00 0.00 O ATOM 852 OD2 ASP A 297 -4.366 -7.651 17.847 1.00 0.00 O ATOM 0 H ASP A 297 -5.741 -5.988 13.621 1.00 0.00 H new ATOM 0 HA ASP A 297 -4.877 -4.363 15.935 1.00 0.00 H new ATOM 0 HB2 ASP A 297 -6.482 -6.342 16.021 1.00 0.00 H new ATOM 0 HB3 ASP A 297 -5.155 -7.358 15.494 1.00 0.00 H new ATOM 857 N ILE A 298 -2.823 -5.341 13.818 1.00 0.00 N ATOM 858 CA ILE A 298 -1.420 -5.370 13.405 1.00 0.00 C ATOM 859 C ILE A 298 -0.952 -3.930 13.148 1.00 0.00 C ATOM 860 O ILE A 298 -1.638 -3.194 12.426 1.00 0.00 O ATOM 861 CB ILE A 298 -1.205 -6.265 12.163 1.00 0.00 C ATOM 862 CG1 ILE A 298 -1.770 -7.672 12.443 1.00 0.00 C ATOM 863 CG2 ILE A 298 0.290 -6.334 11.823 1.00 0.00 C ATOM 864 CD1 ILE A 298 -1.581 -8.682 11.304 1.00 0.00 C ATOM 0 H ILE A 298 -3.466 -5.280 13.028 1.00 0.00 H new ATOM 0 HA ILE A 298 -0.822 -5.809 14.204 1.00 0.00 H new ATOM 0 HB ILE A 298 -1.730 -5.841 11.307 1.00 0.00 H new ATOM 0 HG12 ILE A 298 -1.295 -8.066 13.341 1.00 0.00 H new ATOM 0 HG13 ILE A 298 -2.835 -7.584 12.658 1.00 0.00 H new ATOM 0 HG21 ILE A 298 0.435 -6.966 10.947 1.00 0.00 H new ATOM 0 HG22 ILE A 298 0.662 -5.331 11.613 1.00 0.00 H new ATOM 0 HG23 ILE A 298 0.836 -6.754 12.668 1.00 0.00 H new ATOM 0 HD11 ILE A 298 -2.010 -9.641 11.593 1.00 0.00 H new ATOM 0 HD12 ILE A 298 -2.081 -8.317 10.407 1.00 0.00 H new ATOM 0 HD13 ILE A 298 -0.517 -8.807 11.101 1.00 0.00 H new ATOM 876 N PRO A 299 0.211 -3.532 13.690 1.00 0.00 N ATOM 877 CA PRO A 299 0.777 -2.201 13.517 1.00 0.00 C ATOM 878 C PRO A 299 1.147 -1.917 12.059 1.00 0.00 C ATOM 879 O PRO A 299 1.278 -2.830 11.245 1.00 0.00 O ATOM 880 CB PRO A 299 2.004 -2.173 14.431 1.00 0.00 C ATOM 881 CG PRO A 299 2.433 -3.633 14.543 1.00 0.00 C ATOM 882 CD PRO A 299 1.104 -4.375 14.474 1.00 0.00 C ATOM 0 HA PRO A 299 0.059 -1.423 13.776 1.00 0.00 H new ATOM 0 HB2 PRO A 299 2.799 -1.557 14.009 1.00 0.00 H new ATOM 0 HB3 PRO A 299 1.761 -1.755 15.408 1.00 0.00 H new ATOM 0 HG2 PRO A 299 3.102 -3.923 13.732 1.00 0.00 H new ATOM 0 HG3 PRO A 299 2.960 -3.830 15.477 1.00 0.00 H new ATOM 0 HD2 PRO A 299 1.227 -5.352 14.007 1.00 0.00 H new ATOM 0 HD3 PRO A 299 0.701 -4.547 15.472 1.00 0.00 H new ATOM 890 N GLU A 300 1.307 -0.637 11.718 1.00 0.00 N ATOM 891 CA GLU A 300 1.698 -0.206 10.380 1.00 0.00 C ATOM 892 C GLU A 300 3.172 -0.562 10.065 1.00 0.00 C ATOM 893 O GLU A 300 4.038 -0.566 10.946 1.00 0.00 O ATOM 894 CB GLU A 300 1.393 1.296 10.240 1.00 0.00 C ATOM 895 CG GLU A 300 0.651 1.652 8.956 1.00 0.00 C ATOM 896 CD GLU A 300 1.416 1.291 7.682 1.00 0.00 C ATOM 897 OE1 GLU A 300 1.346 0.103 7.286 1.00 0.00 O ATOM 898 OE2 GLU A 300 2.064 2.189 7.101 1.00 0.00 O ATOM 0 H GLU A 300 1.167 0.134 12.371 1.00 0.00 H new ATOM 0 HA GLU A 300 1.116 -0.746 9.633 1.00 0.00 H new ATOM 0 HB2 GLU A 300 0.798 1.618 11.095 1.00 0.00 H new ATOM 0 HB3 GLU A 300 2.329 1.853 10.275 1.00 0.00 H new ATOM 0 HG2 GLU A 300 -0.311 1.139 8.949 1.00 0.00 H new ATOM 0 HG3 GLU A 300 0.442 2.722 8.953 1.00 0.00 H new ATOM 1027 N ARG B 2 -9.121 5.911 1.140 1.00 0.00 N ATOM 1028 CA ARG B 2 -8.076 6.641 0.399 1.00 0.00 C ATOM 1029 C ARG B 2 -7.077 5.684 -0.252 1.00 0.00 C ATOM 1030 O ARG B 2 -6.798 4.598 0.265 1.00 0.00 O ATOM 1031 CB ARG B 2 -7.325 7.659 1.272 1.00 0.00 C ATOM 1032 CG ARG B 2 -8.212 8.855 1.643 1.00 0.00 C ATOM 1033 CD ARG B 2 -7.430 9.911 2.433 1.00 0.00 C ATOM 1034 NE ARG B 2 -8.317 10.989 2.906 1.00 0.00 N ATOM 1035 CZ ARG B 2 -8.073 11.828 3.908 1.00 0.00 C ATOM 1036 NH1 ARG B 2 -6.951 11.789 4.597 1.00 0.00 N ATOM 1037 NH2 ARG B 2 -8.972 12.732 4.234 1.00 0.00 N ATOM 0 HA ARG B 2 -8.599 7.195 -0.380 1.00 0.00 H new ATOM 0 HB2 ARG B 2 -6.975 7.170 2.181 1.00 0.00 H new ATOM 0 HB3 ARG B 2 -6.442 8.013 0.740 1.00 0.00 H new ATOM 0 HG2 ARG B 2 -8.617 9.304 0.736 1.00 0.00 H new ATOM 0 HG3 ARG B 2 -9.060 8.511 2.235 1.00 0.00 H new ATOM 0 HD2 ARG B 2 -6.938 9.441 3.285 1.00 0.00 H new ATOM 0 HD3 ARG B 2 -6.645 10.332 1.804 1.00 0.00 H new ATOM 0 HE ARG B 2 -9.205 11.102 2.417 1.00 0.00 H new ATOM 0 HH11 ARG B 2 -6.235 11.099 4.368 1.00 0.00 H new ATOM 0 HH12 ARG B 2 -6.798 12.449 5.360 1.00 0.00 H new ATOM 0 HH21 ARG B 2 -9.851 12.786 3.719 1.00 0.00 H new ATOM 0 HH22 ARG B 2 -8.790 13.378 5.002 1.00 0.00 H new ATOM 1051 N THR B 3 -6.519 6.135 -1.375 1.00 0.00 N ATOM 1052 CA THR B 3 -5.548 5.424 -2.214 1.00 0.00 C ATOM 1053 C THR B 3 -4.453 6.376 -2.663 1.00 0.00 C ATOM 1054 O THR B 3 -4.695 7.556 -2.919 1.00 0.00 O ATOM 1055 CB THR B 3 -6.216 4.775 -3.436 1.00 0.00 C ATOM 1056 OG1 THR B 3 -7.125 5.659 -4.061 1.00 0.00 O ATOM 1057 CG2 THR B 3 -6.950 3.490 -3.061 1.00 0.00 C ATOM 0 H THR B 3 -6.743 7.058 -1.747 1.00 0.00 H new ATOM 0 HA THR B 3 -5.113 4.626 -1.613 1.00 0.00 H new ATOM 0 HB THR B 3 -5.413 4.535 -4.133 1.00 0.00 H new ATOM 0 HG1 THR B 3 -7.531 5.217 -4.835 1.00 0.00 H new ATOM 0 HG21 THR B 3 -7.409 3.060 -3.951 1.00 0.00 H new ATOM 0 HG22 THR B 3 -6.242 2.777 -2.638 1.00 0.00 H new ATOM 0 HG23 THR B 3 -7.723 3.714 -2.326 1.00 0.00 H new