USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 458 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 Single : A 240 TYR OH : rot 180:sc= 0 USER MOD Single : A 245 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 246 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 250 ASN :FLIP amide:sc= -4.4! C(o=-6.7!,f=-4.4!) USER MOD Single : A 252 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 255 THR OG1 : rot 20:sc= 1.13 USER MOD Single : A 266 LYS NZ :NH3+ -148:sc= 0.0344 (180deg=0) USER MOD Single : A 268 THR OG1 : rot 180:sc= 0 USER MOD Single : A 269 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 280 CYS SG : rot 112:sc= -3.28! USER MOD Single : A 281 ASN : amide:sc= -0.0483 X(o=-0.048,f=0) USER MOD Single : A 283 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 286 HIS : +bothHN:sc= -0.758 K(o=-0.76,f=-2.8!) USER MOD Single : A 290 THR OG1 : rot -150:sc= -1.15 USER MOD Single : A 291 HIS :FLIP no HE2:sc= -2.64 F(o=-3.2!,f=-2.6) USER MOD Single : A 297 GLN :FLIP amide:sc= -0.239 F(o=-2!,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 262 N PRO A 238 6.291 -1.736 -8.361 1.00 0.40 N ATOM 263 CA PRO A 238 5.335 -2.012 -7.273 1.00 0.28 C ATOM 264 C PRO A 238 5.247 -3.429 -6.900 1.00 0.28 C ATOM 265 O PRO A 238 5.220 -4.334 -7.727 1.00 0.41 O ATOM 266 CB PRO A 238 4.001 -1.526 -7.816 1.00 0.25 C ATOM 267 CG PRO A 238 4.381 -0.500 -8.802 1.00 0.59 C ATOM 268 CD PRO A 238 5.618 -1.040 -9.462 1.00 0.43 C ATOM 0 HA PRO A 238 5.650 -1.513 -6.357 1.00 0.28 H new ATOM 0 HB2 PRO A 238 3.437 -2.336 -8.278 1.00 0.25 H new ATOM 0 HB3 PRO A 238 3.374 -1.111 -7.027 1.00 0.25 H new ATOM 0 HG2 PRO A 238 3.585 -0.336 -9.528 1.00 0.59 H new ATOM 0 HG3 PRO A 238 4.576 0.458 -8.320 1.00 0.59 H new ATOM 0 HD2 PRO A 238 5.377 -1.716 -10.282 1.00 0.43 H new ATOM 0 HD3 PRO A 238 6.237 -0.244 -9.877 1.00 0.43 H new ATOM 276 N PHE A 239 5.212 -3.570 -5.619 1.00 0.24 N ATOM 277 CA PHE A 239 5.164 -4.842 -5.004 1.00 0.26 C ATOM 278 C PHE A 239 3.735 -5.116 -4.597 1.00 0.22 C ATOM 279 O PHE A 239 2.937 -4.182 -4.503 1.00 0.26 O ATOM 280 CB PHE A 239 6.102 -4.884 -3.796 1.00 0.38 C ATOM 281 CG PHE A 239 7.564 -5.058 -4.128 1.00 0.48 C ATOM 282 CD1 PHE A 239 7.963 -5.496 -5.377 1.00 0.56 C ATOM 283 CD2 PHE A 239 8.537 -4.814 -3.172 1.00 0.66 C ATOM 284 CE1 PHE A 239 9.292 -5.690 -5.672 1.00 0.71 C ATOM 285 CE2 PHE A 239 9.876 -4.998 -3.462 1.00 0.79 C ATOM 286 CZ PHE A 239 10.255 -5.440 -4.715 1.00 0.78 C ATOM 0 H PHE A 239 5.216 -2.789 -4.963 1.00 0.24 H new ATOM 0 HA PHE A 239 5.497 -5.612 -5.700 1.00 0.26 H new ATOM 0 HB2 PHE A 239 5.981 -3.961 -3.229 1.00 0.38 H new ATOM 0 HB3 PHE A 239 5.793 -5.701 -3.144 1.00 0.38 H new ATOM 0 HD1 PHE A 239 7.218 -5.689 -6.134 1.00 0.56 H new ATOM 0 HD2 PHE A 239 8.246 -4.476 -2.188 1.00 0.66 H new ATOM 0 HE1 PHE A 239 9.582 -6.038 -6.652 1.00 0.71 H new ATOM 0 HE2 PHE A 239 10.625 -4.797 -2.710 1.00 0.79 H new ATOM 0 HZ PHE A 239 11.300 -5.589 -4.945 1.00 0.78 H new ATOM 296 N TYR A 240 3.388 -6.363 -4.341 1.00 0.22 N ATOM 297 CA TYR A 240 2.064 -6.657 -3.934 1.00 0.21 C ATOM 298 C TYR A 240 2.108 -6.739 -2.444 1.00 0.19 C ATOM 299 O TYR A 240 3.192 -6.821 -1.869 1.00 0.23 O ATOM 300 CB TYR A 240 1.587 -7.972 -4.542 1.00 0.24 C ATOM 301 CG TYR A 240 0.851 -7.836 -5.849 1.00 0.36 C ATOM 302 CD1 TYR A 240 -0.123 -6.867 -6.013 1.00 0.43 C ATOM 303 CD2 TYR A 240 1.103 -8.700 -6.906 1.00 0.64 C ATOM 304 CE1 TYR A 240 -0.827 -6.755 -7.187 1.00 0.57 C ATOM 305 CE2 TYR A 240 0.406 -8.594 -8.094 1.00 0.79 C ATOM 306 CZ TYR A 240 -0.560 -7.618 -8.228 1.00 0.69 C ATOM 307 OH TYR A 240 -1.264 -7.504 -9.405 1.00 0.88 O ATOM 0 H TYR A 240 4.011 -7.168 -4.412 1.00 0.22 H new ATOM 0 HA TYR A 240 1.362 -5.893 -4.270 1.00 0.21 H new ATOM 0 HB2 TYR A 240 2.450 -8.620 -4.694 1.00 0.24 H new ATOM 0 HB3 TYR A 240 0.936 -8.472 -3.825 1.00 0.24 H new ATOM 0 HD1 TYR A 240 -0.334 -6.185 -5.202 1.00 0.43 H new ATOM 0 HD2 TYR A 240 1.856 -9.467 -6.798 1.00 0.64 H new ATOM 0 HE1 TYR A 240 -1.586 -5.994 -7.294 1.00 0.57 H new ATOM 0 HE2 TYR A 240 0.615 -9.269 -8.911 1.00 0.79 H new ATOM 0 HH TYR A 240 -0.955 -8.185 -10.038 1.00 0.88 H new ATOM 317 N ALA A 241 0.983 -6.676 -1.806 1.00 0.14 N ATOM 318 CA ALA A 241 0.964 -6.846 -0.400 1.00 0.15 C ATOM 319 C ALA A 241 -0.364 -7.344 0.084 1.00 0.11 C ATOM 320 O ALA A 241 -1.397 -6.755 -0.191 1.00 0.12 O ATOM 321 CB ALA A 241 1.358 -5.560 0.299 1.00 0.24 C ATOM 0 H ALA A 241 0.074 -6.509 -2.238 1.00 0.14 H new ATOM 0 HA ALA A 241 1.700 -7.610 -0.150 1.00 0.15 H new ATOM 0 HB1 ALA A 241 1.337 -5.711 1.378 1.00 0.24 H new ATOM 0 HB2 ALA A 241 2.364 -5.272 -0.008 1.00 0.24 H new ATOM 0 HB3 ALA A 241 0.657 -4.770 0.030 1.00 0.24 H new ATOM 327 N ARG A 242 -0.324 -8.422 0.829 1.00 0.10 N ATOM 328 CA ARG A 242 -1.523 -9.005 1.349 1.00 0.08 C ATOM 329 C ARG A 242 -1.989 -8.166 2.514 1.00 0.08 C ATOM 330 O ARG A 242 -1.454 -8.255 3.617 1.00 0.11 O ATOM 331 CB ARG A 242 -1.248 -10.431 1.803 1.00 0.10 C ATOM 332 CG ARG A 242 -2.395 -11.099 2.576 1.00 0.10 C ATOM 333 CD ARG A 242 -3.506 -11.613 1.680 1.00 0.11 C ATOM 334 NE ARG A 242 -3.044 -12.507 0.620 1.00 0.18 N ATOM 335 CZ ARG A 242 -3.848 -13.001 -0.322 1.00 0.35 C ATOM 336 NH1 ARG A 242 -5.145 -12.721 -0.296 1.00 0.51 N ATOM 337 NH2 ARG A 242 -3.364 -13.792 -1.271 1.00 0.43 N ATOM 0 H ARG A 242 0.534 -8.911 1.086 1.00 0.10 H new ATOM 0 HA ARG A 242 -2.295 -9.033 0.580 1.00 0.08 H new ATOM 0 HB2 ARG A 242 -1.019 -11.037 0.927 1.00 0.10 H new ATOM 0 HB3 ARG A 242 -0.358 -10.431 2.432 1.00 0.10 H new ATOM 0 HG2 ARG A 242 -1.995 -11.929 3.159 1.00 0.10 H new ATOM 0 HG3 ARG A 242 -2.811 -10.383 3.284 1.00 0.10 H new ATOM 0 HD2 ARG A 242 -4.239 -12.139 2.292 1.00 0.11 H new ATOM 0 HD3 ARG A 242 -4.018 -10.763 1.228 1.00 0.11 H new ATOM 0 HE ARG A 242 -2.058 -12.766 0.600 1.00 0.18 H new ATOM 0 HH11 ARG A 242 -5.524 -12.129 0.443 1.00 0.51 H new ATOM 0 HH12 ARG A 242 -5.763 -13.097 -1.015 1.00 0.51 H new ATOM 0 HH21 ARG A 242 -2.371 -14.026 -1.283 1.00 0.43 H new ATOM 0 HH22 ARG A 242 -3.985 -14.166 -1.989 1.00 0.43 H new ATOM 351 N VAL A 243 -2.971 -7.341 2.257 1.00 0.07 N ATOM 352 CA VAL A 243 -3.514 -6.484 3.258 1.00 0.08 C ATOM 353 C VAL A 243 -4.125 -7.336 4.340 1.00 0.11 C ATOM 354 O VAL A 243 -4.741 -8.345 4.044 1.00 0.14 O ATOM 355 CB VAL A 243 -4.588 -5.559 2.659 1.00 0.10 C ATOM 356 CG1 VAL A 243 -5.699 -6.352 2.007 1.00 0.14 C ATOM 357 CG2 VAL A 243 -5.161 -4.695 3.742 1.00 0.18 C ATOM 0 H VAL A 243 -3.412 -7.251 1.342 1.00 0.07 H new ATOM 0 HA VAL A 243 -2.719 -5.862 3.669 1.00 0.08 H new ATOM 0 HB VAL A 243 -4.117 -4.942 1.894 1.00 0.10 H new ATOM 0 HG11 VAL A 243 -6.440 -5.668 1.594 1.00 0.14 H new ATOM 0 HG12 VAL A 243 -5.286 -6.966 1.206 1.00 0.14 H new ATOM 0 HG13 VAL A 243 -6.172 -6.994 2.750 1.00 0.14 H new ATOM 0 HG21 VAL A 243 -5.922 -4.039 3.320 1.00 0.18 H new ATOM 0 HG22 VAL A 243 -5.610 -5.324 4.510 1.00 0.18 H new ATOM 0 HG23 VAL A 243 -4.368 -4.093 4.185 1.00 0.18 H new ATOM 367 N ILE A 244 -3.936 -6.968 5.589 1.00 0.12 N ATOM 368 CA ILE A 244 -4.574 -7.730 6.657 1.00 0.16 C ATOM 369 C ILE A 244 -5.155 -6.825 7.711 1.00 0.13 C ATOM 370 O ILE A 244 -5.431 -7.263 8.817 1.00 0.17 O ATOM 371 CB ILE A 244 -3.701 -8.834 7.329 1.00 0.30 C ATOM 372 CG1 ILE A 244 -2.520 -8.299 8.165 1.00 0.43 C ATOM 373 CG2 ILE A 244 -3.232 -9.829 6.302 1.00 0.37 C ATOM 374 CD1 ILE A 244 -1.719 -7.204 7.525 1.00 0.61 C ATOM 0 H ILE A 244 -3.368 -6.176 5.890 1.00 0.12 H new ATOM 0 HA ILE A 244 -5.367 -8.269 6.139 1.00 0.16 H new ATOM 0 HB ILE A 244 -4.353 -9.330 8.049 1.00 0.30 H new ATOM 0 HG12 ILE A 244 -2.907 -7.934 9.116 1.00 0.43 H new ATOM 0 HG13 ILE A 244 -1.852 -9.130 8.391 1.00 0.43 H new ATOM 0 HG21 ILE A 244 -2.624 -10.593 6.787 1.00 0.37 H new ATOM 0 HG22 ILE A 244 -4.095 -10.298 5.829 1.00 0.37 H new ATOM 0 HG23 ILE A 244 -2.637 -9.318 5.545 1.00 0.37 H new ATOM 0 HD11 ILE A 244 -0.915 -6.902 8.196 1.00 0.61 H new ATOM 0 HD12 ILE A 244 -1.294 -7.564 6.588 1.00 0.61 H new ATOM 0 HD13 ILE A 244 -2.365 -6.349 7.325 1.00 0.61 H new ATOM 386 N GLN A 245 -5.336 -5.567 7.334 1.00 0.11 N ATOM 387 CA GLN A 245 -6.143 -4.609 8.095 1.00 0.12 C ATOM 388 C GLN A 245 -6.318 -3.351 7.272 1.00 0.11 C ATOM 389 O GLN A 245 -5.438 -2.505 7.196 1.00 0.12 O ATOM 390 CB GLN A 245 -5.539 -4.257 9.469 1.00 0.15 C ATOM 391 CG GLN A 245 -5.880 -5.236 10.577 1.00 0.21 C ATOM 392 CD GLN A 245 -5.589 -4.688 11.959 1.00 0.33 C ATOM 393 OE1 GLN A 245 -4.675 -3.881 12.142 1.00 1.05 O ATOM 394 NE2 GLN A 245 -6.363 -5.125 12.939 1.00 1.20 N ATOM 0 H GLN A 245 -4.926 -5.175 6.486 1.00 0.11 H new ATOM 0 HA GLN A 245 -7.105 -5.081 8.295 1.00 0.12 H new ATOM 0 HB2 GLN A 245 -4.455 -4.202 9.371 1.00 0.15 H new ATOM 0 HB3 GLN A 245 -5.884 -3.265 9.760 1.00 0.15 H new ATOM 0 HG2 GLN A 245 -6.936 -5.498 10.511 1.00 0.21 H new ATOM 0 HG3 GLN A 245 -5.313 -6.155 10.430 1.00 0.21 H new ATOM 0 HE21 GLN A 245 -7.108 -5.793 12.741 1.00 1.20 H new ATOM 0 HE22 GLN A 245 -6.215 -4.794 13.892 1.00 1.20 H new ATOM 403 N LYS A 246 -7.434 -3.266 6.603 1.00 0.12 N ATOM 404 CA LYS A 246 -7.760 -2.095 5.829 1.00 0.12 C ATOM 405 C LYS A 246 -9.217 -1.762 6.077 1.00 0.15 C ATOM 406 O LYS A 246 -9.963 -2.594 6.597 1.00 0.19 O ATOM 407 CB LYS A 246 -7.448 -2.391 4.370 1.00 0.12 C ATOM 408 CG LYS A 246 -7.123 -1.200 3.444 1.00 0.13 C ATOM 409 CD LYS A 246 -5.788 -1.412 2.750 1.00 0.14 C ATOM 410 CE LYS A 246 -4.672 -0.839 3.551 1.00 0.16 C ATOM 411 NZ LYS A 246 -3.358 -0.972 2.862 1.00 0.21 N ATOM 0 H LYS A 246 -8.141 -4.000 6.577 1.00 0.12 H new ATOM 0 HA LYS A 246 -7.172 -1.223 6.115 1.00 0.12 H new ATOM 0 HB2 LYS A 246 -6.601 -3.077 4.342 1.00 0.12 H new ATOM 0 HB3 LYS A 246 -8.301 -2.920 3.946 1.00 0.12 H new ATOM 0 HG2 LYS A 246 -7.911 -1.085 2.700 1.00 0.13 H new ATOM 0 HG3 LYS A 246 -7.095 -0.278 4.025 1.00 0.13 H new ATOM 0 HD2 LYS A 246 -5.620 -2.478 2.596 1.00 0.14 H new ATOM 0 HD3 LYS A 246 -5.809 -0.947 1.764 1.00 0.14 H new ATOM 0 HE2 LYS A 246 -4.872 0.214 3.748 1.00 0.16 H new ATOM 0 HE3 LYS A 246 -4.626 -1.341 4.518 1.00 0.16 H new ATOM 0 HZ1 LYS A 246 -2.611 -0.560 3.457 1.00 0.21 H new ATOM 0 HZ2 LYS A 246 -3.153 -1.978 2.697 1.00 0.21 H new ATOM 0 HZ3 LYS A 246 -3.391 -0.471 1.951 1.00 0.21 H new ATOM 425 N ARG A 247 -9.614 -0.569 5.732 1.00 0.16 N ATOM 426 CA ARG A 247 -10.978 -0.153 5.904 1.00 0.16 C ATOM 427 C ARG A 247 -11.666 -0.377 4.581 1.00 0.14 C ATOM 428 O ARG A 247 -10.991 -0.696 3.603 1.00 0.14 O ATOM 429 CB ARG A 247 -11.036 1.322 6.320 1.00 0.17 C ATOM 430 CG ARG A 247 -10.840 2.302 5.172 1.00 0.18 C ATOM 431 CD ARG A 247 -10.682 3.741 5.650 1.00 0.23 C ATOM 432 NE ARG A 247 -11.749 4.619 5.149 1.00 0.49 N ATOM 433 CZ ARG A 247 -12.731 5.137 5.886 1.00 0.63 C ATOM 434 NH1 ARG A 247 -12.856 4.825 7.168 1.00 1.63 N ATOM 435 NH2 ARG A 247 -13.600 5.970 5.329 1.00 0.63 N ATOM 0 H ARG A 247 -9.004 0.140 5.325 1.00 0.16 H new ATOM 0 HA ARG A 247 -11.472 -0.721 6.692 1.00 0.16 H new ATOM 0 HB2 ARG A 247 -12.000 1.518 6.790 1.00 0.17 H new ATOM 0 HB3 ARG A 247 -10.271 1.506 7.074 1.00 0.17 H new ATOM 0 HG2 ARG A 247 -9.958 2.014 4.600 1.00 0.18 H new ATOM 0 HG3 ARG A 247 -11.693 2.239 4.496 1.00 0.18 H new ATOM 0 HD2 ARG A 247 -10.681 3.761 6.740 1.00 0.23 H new ATOM 0 HD3 ARG A 247 -9.716 4.125 5.323 1.00 0.23 H new ATOM 0 HE ARG A 247 -11.737 4.851 4.156 1.00 0.49 H new ATOM 0 HH11 ARG A 247 -12.196 4.181 7.603 1.00 1.63 H new ATOM 0 HH12 ARG A 247 -13.613 5.229 7.720 1.00 1.63 H new ATOM 0 HH21 ARG A 247 -13.515 6.211 4.342 1.00 0.63 H new ATOM 0 HH22 ARG A 247 -14.354 6.370 5.888 1.00 0.63 H new ATOM 449 N VAL A 248 -12.981 -0.302 4.528 1.00 0.15 N ATOM 450 CA VAL A 248 -13.630 -0.229 3.249 1.00 0.15 C ATOM 451 C VAL A 248 -13.970 1.220 2.935 1.00 0.14 C ATOM 452 O VAL A 248 -15.000 1.754 3.351 1.00 0.16 O ATOM 453 CB VAL A 248 -14.870 -1.140 3.148 1.00 0.19 C ATOM 454 CG1 VAL A 248 -15.782 -0.689 2.022 1.00 0.21 C ATOM 455 CG2 VAL A 248 -14.428 -2.570 2.907 1.00 0.21 C ATOM 0 H VAL A 248 -13.602 -0.291 5.337 1.00 0.15 H new ATOM 0 HA VAL A 248 -12.933 -0.605 2.500 1.00 0.15 H new ATOM 0 HB VAL A 248 -15.425 -1.078 4.084 1.00 0.19 H new ATOM 0 HG11 VAL A 248 -16.649 -1.347 1.971 1.00 0.21 H new ATOM 0 HG12 VAL A 248 -16.112 0.333 2.208 1.00 0.21 H new ATOM 0 HG13 VAL A 248 -15.240 -0.729 1.077 1.00 0.21 H new ATOM 0 HG21 VAL A 248 -15.304 -3.214 2.836 1.00 0.21 H new ATOM 0 HG22 VAL A 248 -13.861 -2.624 1.978 1.00 0.21 H new ATOM 0 HG23 VAL A 248 -13.800 -2.901 3.734 1.00 0.21 H new ATOM 465 N PRO A 249 -13.038 1.895 2.262 1.00 0.13 N ATOM 466 CA PRO A 249 -13.228 3.196 1.727 1.00 0.15 C ATOM 467 C PRO A 249 -13.601 3.102 0.264 1.00 0.16 C ATOM 468 O PRO A 249 -14.302 2.186 -0.165 1.00 0.17 O ATOM 469 CB PRO A 249 -11.836 3.825 1.867 1.00 0.16 C ATOM 470 CG PRO A 249 -10.876 2.682 1.991 1.00 0.14 C ATOM 471 CD PRO A 249 -11.697 1.440 1.971 1.00 0.13 C ATOM 0 HA PRO A 249 -14.018 3.761 2.223 1.00 0.15 H new ATOM 0 HB2 PRO A 249 -11.598 4.442 1.001 1.00 0.16 H new ATOM 0 HB3 PRO A 249 -11.787 4.472 2.743 1.00 0.16 H new ATOM 0 HG2 PRO A 249 -10.159 2.687 1.170 1.00 0.14 H new ATOM 0 HG3 PRO A 249 -10.303 2.754 2.916 1.00 0.14 H new ATOM 0 HD2 PRO A 249 -11.646 0.945 1.001 1.00 0.13 H new ATOM 0 HD3 PRO A 249 -11.350 0.722 2.714 1.00 0.13 H new ATOM 479 N ASN A 250 -13.115 4.056 -0.484 1.00 0.17 N ATOM 480 CA ASN A 250 -13.147 4.013 -1.926 1.00 0.20 C ATOM 481 C ASN A 250 -12.205 5.067 -2.449 1.00 0.21 C ATOM 482 O ASN A 250 -11.598 5.801 -1.668 1.00 0.19 O ATOM 483 CB ASN A 250 -14.554 4.202 -2.524 1.00 0.24 C ATOM 484 CG ASN A 250 -15.327 5.417 -2.018 1.00 0.69 C ATOM 485 OD1 ASN A 250 -15.178 5.769 -0.752 1.00 1.18 O flip ATOM 486 ND2 ASN A 250 -16.088 6.013 -2.767 1.00 1.28 N flip ATOM 0 H ASN A 250 -12.679 4.897 -0.106 1.00 0.17 H new ATOM 0 HA ASN A 250 -12.835 3.015 -2.235 1.00 0.20 H new ATOM 0 HB2 ASN A 250 -14.462 4.278 -3.607 1.00 0.24 H new ATOM 0 HB3 ASN A 250 -15.141 3.308 -2.316 1.00 0.24 H new ATOM 0 HD21 ASN A 250 -16.182 5.718 -3.739 1.00 1.28 H new ATOM 0 HD22 ASN A 250 -16.629 6.805 -2.420 1.00 1.28 H new ATOM 493 N ALA A 251 -12.076 5.149 -3.751 1.00 0.26 N ATOM 494 CA ALA A 251 -11.155 6.094 -4.344 1.00 0.31 C ATOM 495 C ALA A 251 -11.687 7.516 -4.219 1.00 0.37 C ATOM 496 O ALA A 251 -10.950 8.483 -4.377 1.00 0.42 O ATOM 497 CB ALA A 251 -10.908 5.732 -5.795 1.00 0.39 C ATOM 0 H ALA A 251 -12.593 4.577 -4.419 1.00 0.26 H new ATOM 0 HA ALA A 251 -10.207 6.046 -3.808 1.00 0.31 H new ATOM 0 HB1 ALA A 251 -10.214 6.448 -6.235 1.00 0.39 H new ATOM 0 HB2 ALA A 251 -10.482 4.730 -5.853 1.00 0.39 H new ATOM 0 HB3 ALA A 251 -11.851 5.757 -6.342 1.00 0.39 H new ATOM 503 N TYR A 252 -12.967 7.632 -3.914 1.00 0.39 N ATOM 504 CA TYR A 252 -13.582 8.928 -3.692 1.00 0.47 C ATOM 505 C TYR A 252 -13.161 9.456 -2.339 1.00 0.46 C ATOM 506 O TYR A 252 -13.060 10.661 -2.114 1.00 0.56 O ATOM 507 CB TYR A 252 -15.096 8.802 -3.713 1.00 0.57 C ATOM 508 CG TYR A 252 -15.662 8.217 -4.988 1.00 0.95 C ATOM 509 CD1 TYR A 252 -14.918 8.154 -6.162 1.00 1.30 C ATOM 510 CD2 TYR A 252 -16.952 7.723 -5.003 1.00 1.27 C ATOM 511 CE1 TYR A 252 -15.455 7.610 -7.313 1.00 1.80 C ATOM 512 CE2 TYR A 252 -17.498 7.179 -6.148 1.00 1.76 C ATOM 513 CZ TYR A 252 -16.746 7.126 -7.300 1.00 1.98 C ATOM 514 OH TYR A 252 -17.285 6.579 -8.440 1.00 2.53 O ATOM 0 H TYR A 252 -13.603 6.841 -3.814 1.00 0.39 H new ATOM 0 HA TYR A 252 -13.263 9.608 -4.482 1.00 0.47 H new ATOM 0 HB2 TYR A 252 -15.407 8.180 -2.874 1.00 0.57 H new ATOM 0 HB3 TYR A 252 -15.532 9.789 -3.557 1.00 0.57 H new ATOM 0 HD1 TYR A 252 -13.908 8.535 -6.174 1.00 1.30 H new ATOM 0 HD2 TYR A 252 -17.545 7.763 -4.101 1.00 1.27 H new ATOM 0 HE1 TYR A 252 -14.867 7.564 -8.218 1.00 1.80 H new ATOM 0 HE2 TYR A 252 -18.508 6.797 -6.140 1.00 1.76 H new ATOM 0 HH TYR A 252 -18.202 6.285 -8.260 1.00 2.53 H new ATOM 524 N ASP A 253 -12.903 8.514 -1.454 1.00 0.40 N ATOM 525 CA ASP A 253 -12.550 8.791 -0.094 1.00 0.43 C ATOM 526 C ASP A 253 -11.090 9.062 -0.006 1.00 0.38 C ATOM 527 O ASP A 253 -10.332 8.171 0.391 1.00 0.34 O ATOM 528 CB ASP A 253 -12.769 7.544 0.716 1.00 0.44 C ATOM 529 CG ASP A 253 -13.409 7.776 2.069 1.00 0.56 C ATOM 530 OD1 ASP A 253 -13.604 8.956 2.437 1.00 0.80 O ATOM 531 OD2 ASP A 253 -13.732 6.793 2.762 1.00 0.88 O ATOM 0 H ASP A 253 -12.936 7.518 -1.674 1.00 0.40 H new ATOM 0 HA ASP A 253 -13.142 9.636 0.259 1.00 0.43 H new ATOM 0 HB2 ASP A 253 -13.397 6.860 0.144 1.00 0.44 H new ATOM 0 HB3 ASP A 253 -11.809 7.048 0.863 1.00 0.44 H new ATOM 536 N LYS A 254 -10.679 10.257 -0.370 1.00 0.43 N ATOM 537 CA LYS A 254 -9.302 10.655 -0.174 1.00 0.41 C ATOM 538 C LYS A 254 -8.357 9.746 -0.954 1.00 0.31 C ATOM 539 O LYS A 254 -7.142 9.824 -0.802 1.00 0.28 O ATOM 540 CB LYS A 254 -9.030 10.556 1.318 1.00 0.45 C ATOM 541 CG LYS A 254 -10.067 11.310 2.113 1.00 0.60 C ATOM 542 CD LYS A 254 -10.010 10.997 3.596 1.00 0.74 C ATOM 543 CE LYS A 254 -10.718 9.686 3.905 1.00 0.79 C ATOM 544 NZ LYS A 254 -10.834 9.447 5.366 1.00 1.32 N ATOM 0 H LYS A 254 -11.273 10.966 -0.800 1.00 0.43 H new ATOM 0 HA LYS A 254 -9.136 11.669 -0.537 1.00 0.41 H new ATOM 0 HB2 LYS A 254 -9.026 9.509 1.621 1.00 0.45 H new ATOM 0 HB3 LYS A 254 -8.039 10.955 1.537 1.00 0.45 H new ATOM 0 HG2 LYS A 254 -9.924 12.381 1.966 1.00 0.60 H new ATOM 0 HG3 LYS A 254 -11.059 11.066 1.732 1.00 0.60 H new ATOM 0 HD2 LYS A 254 -8.971 10.938 3.919 1.00 0.74 H new ATOM 0 HD3 LYS A 254 -10.474 11.806 4.160 1.00 0.74 H new ATOM 0 HE2 LYS A 254 -11.713 9.697 3.459 1.00 0.79 H new ATOM 0 HE3 LYS A 254 -10.172 8.862 3.445 1.00 0.79 H new ATOM 0 HZ1 LYS A 254 -11.322 8.544 5.532 1.00 1.32 H new ATOM 0 HZ2 LYS A 254 -9.884 9.410 5.788 1.00 1.32 H new ATOM 0 HZ3 LYS A 254 -11.377 10.219 5.802 1.00 1.32 H new ATOM 558 N THR A 255 -8.964 8.901 -1.783 1.00 0.28 N ATOM 559 CA THR A 255 -8.338 7.760 -2.399 1.00 0.22 C ATOM 560 C THR A 255 -7.820 6.855 -1.313 1.00 0.15 C ATOM 561 O THR A 255 -6.720 7.033 -0.790 1.00 0.14 O ATOM 562 CB THR A 255 -7.242 8.075 -3.458 1.00 0.27 C ATOM 563 OG1 THR A 255 -6.215 8.923 -2.939 1.00 0.41 O ATOM 564 CG2 THR A 255 -7.859 8.721 -4.686 1.00 0.55 C ATOM 0 H THR A 255 -9.944 9.006 -2.047 1.00 0.28 H new ATOM 0 HA THR A 255 -9.110 7.265 -2.988 1.00 0.22 H new ATOM 0 HB THR A 255 -6.785 7.124 -3.732 1.00 0.27 H new ATOM 0 HG1 THR A 255 -6.220 8.882 -1.960 1.00 0.41 H new ATOM 0 HG21 THR A 255 -7.078 8.934 -5.416 1.00 0.55 H new ATOM 0 HG22 THR A 255 -8.591 8.043 -5.125 1.00 0.55 H new ATOM 0 HG23 THR A 255 -8.352 9.650 -4.400 1.00 0.55 H new ATOM 572 N ALA A 256 -8.709 5.993 -0.866 1.00 0.13 N ATOM 573 CA ALA A 256 -8.362 4.951 0.062 1.00 0.11 C ATOM 574 C ALA A 256 -8.725 3.556 -0.497 1.00 0.10 C ATOM 575 O ALA A 256 -9.589 3.435 -1.367 1.00 0.12 O ATOM 576 CB ALA A 256 -9.006 5.232 1.401 1.00 0.13 C ATOM 0 H ALA A 256 -9.692 6.000 -1.139 1.00 0.13 H new ATOM 0 HA ALA A 256 -7.282 4.941 0.207 1.00 0.11 H new ATOM 0 HB1 ALA A 256 -8.743 4.442 2.104 1.00 0.13 H new ATOM 0 HB2 ALA A 256 -8.651 6.190 1.782 1.00 0.13 H new ATOM 0 HB3 ALA A 256 -10.089 5.267 1.284 1.00 0.13 H new ATOM 582 N LEU A 257 -8.084 2.509 0.029 1.00 0.10 N ATOM 583 CA LEU A 257 -8.211 1.133 -0.500 1.00 0.09 C ATOM 584 C LEU A 257 -9.380 0.370 0.045 1.00 0.09 C ATOM 585 O LEU A 257 -9.412 0.050 1.228 1.00 0.11 O ATOM 586 CB LEU A 257 -6.972 0.314 -0.151 1.00 0.11 C ATOM 587 CG LEU A 257 -5.797 0.448 -1.078 1.00 0.19 C ATOM 588 CD1 LEU A 257 -6.223 0.661 -2.509 1.00 0.27 C ATOM 589 CD2 LEU A 257 -4.936 1.581 -0.580 1.00 0.21 C ATOM 0 H LEU A 257 -7.461 2.583 0.833 1.00 0.10 H new ATOM 0 HA LEU A 257 -8.344 1.264 -1.574 1.00 0.09 H new ATOM 0 HB2 LEU A 257 -6.649 0.594 0.852 1.00 0.11 H new ATOM 0 HB3 LEU A 257 -7.258 -0.737 -0.112 1.00 0.11 H new ATOM 0 HG LEU A 257 -5.227 -0.481 -1.076 1.00 0.19 H new ATOM 0 HD11 LEU A 257 -5.340 0.752 -3.142 1.00 0.27 H new ATOM 0 HD12 LEU A 257 -6.821 -0.188 -2.841 1.00 0.27 H new ATOM 0 HD13 LEU A 257 -6.816 1.573 -2.580 1.00 0.27 H new ATOM 0 HD21 LEU A 257 -4.074 1.699 -1.237 1.00 0.21 H new ATOM 0 HD22 LEU A 257 -5.517 2.503 -0.573 1.00 0.21 H new ATOM 0 HD23 LEU A 257 -4.594 1.361 0.431 1.00 0.21 H new ATOM 601 N ALA A 258 -10.284 -0.018 -0.840 1.00 0.10 N ATOM 602 CA ALA A 258 -11.409 -0.820 -0.429 1.00 0.11 C ATOM 603 C ALA A 258 -11.075 -2.281 -0.503 1.00 0.11 C ATOM 604 O ALA A 258 -11.202 -2.925 -1.545 1.00 0.14 O ATOM 605 CB ALA A 258 -12.594 -0.527 -1.291 1.00 0.14 C ATOM 0 H ALA A 258 -10.256 0.209 -1.834 1.00 0.10 H new ATOM 0 HA ALA A 258 -11.647 -0.569 0.605 1.00 0.11 H new ATOM 0 HB1 ALA A 258 -13.437 -1.139 -0.971 1.00 0.14 H new ATOM 0 HB2 ALA A 258 -12.856 0.527 -1.203 1.00 0.14 H new ATOM 0 HB3 ALA A 258 -12.354 -0.755 -2.329 1.00 0.14 H new ATOM 611 N LEU A 259 -10.656 -2.799 0.617 1.00 0.10 N ATOM 612 CA LEU A 259 -10.295 -4.187 0.717 1.00 0.12 C ATOM 613 C LEU A 259 -10.400 -4.646 2.159 1.00 0.12 C ATOM 614 O LEU A 259 -10.519 -3.824 3.068 1.00 0.12 O ATOM 615 CB LEU A 259 -8.881 -4.410 0.176 1.00 0.14 C ATOM 616 CG LEU A 259 -8.021 -3.149 0.092 1.00 0.11 C ATOM 617 CD1 LEU A 259 -6.657 -3.420 0.648 1.00 0.49 C ATOM 618 CD2 LEU A 259 -7.902 -2.666 -1.333 1.00 0.55 C ATOM 0 H LEU A 259 -10.555 -2.273 1.485 1.00 0.10 H new ATOM 0 HA LEU A 259 -10.985 -4.778 0.114 1.00 0.12 H new ATOM 0 HB2 LEU A 259 -8.374 -5.137 0.811 1.00 0.14 H new ATOM 0 HB3 LEU A 259 -8.953 -4.851 -0.818 1.00 0.14 H new ATOM 0 HG LEU A 259 -8.506 -2.370 0.680 1.00 0.11 H new ATOM 0 HD11 LEU A 259 -6.052 -2.516 0.584 1.00 0.49 H new ATOM 0 HD12 LEU A 259 -6.743 -3.726 1.691 1.00 0.49 H new ATOM 0 HD13 LEU A 259 -6.182 -4.216 0.075 1.00 0.49 H new ATOM 0 HD21 LEU A 259 -7.285 -1.768 -1.362 1.00 0.55 H new ATOM 0 HD22 LEU A 259 -7.441 -3.443 -1.943 1.00 0.55 H new ATOM 0 HD23 LEU A 259 -8.894 -2.438 -1.724 1.00 0.55 H new ATOM 630 N GLU A 260 -10.354 -5.946 2.373 1.00 0.15 N ATOM 631 CA GLU A 260 -10.508 -6.489 3.715 1.00 0.16 C ATOM 632 C GLU A 260 -9.179 -7.026 4.219 1.00 0.15 C ATOM 633 O GLU A 260 -8.212 -7.138 3.477 1.00 0.16 O ATOM 634 CB GLU A 260 -11.587 -7.596 3.729 1.00 0.21 C ATOM 635 CG GLU A 260 -11.493 -8.585 4.891 1.00 0.23 C ATOM 636 CD GLU A 260 -12.808 -8.820 5.602 1.00 0.47 C ATOM 637 OE1 GLU A 260 -13.126 -8.054 6.534 1.00 0.75 O ATOM 638 OE2 GLU A 260 -13.514 -9.792 5.264 1.00 0.92 O ATOM 0 H GLU A 260 -10.212 -6.644 1.643 1.00 0.15 H new ATOM 0 HA GLU A 260 -10.832 -5.690 4.382 1.00 0.16 H new ATOM 0 HB2 GLU A 260 -12.569 -7.123 3.754 1.00 0.21 H new ATOM 0 HB3 GLU A 260 -11.525 -8.153 2.794 1.00 0.21 H new ATOM 0 HG2 GLU A 260 -11.119 -9.537 4.516 1.00 0.23 H new ATOM 0 HG3 GLU A 260 -10.762 -8.217 5.611 1.00 0.23 H new ATOM 645 N VAL A 261 -9.120 -7.278 5.495 1.00 0.16 N ATOM 646 CA VAL A 261 -8.085 -8.094 6.064 1.00 0.16 C ATOM 647 C VAL A 261 -7.936 -9.422 5.320 1.00 0.17 C ATOM 648 O VAL A 261 -8.894 -10.184 5.188 1.00 0.21 O ATOM 649 CB VAL A 261 -8.423 -8.401 7.512 1.00 0.19 C ATOM 650 CG1 VAL A 261 -7.417 -9.383 8.085 1.00 0.21 C ATOM 651 CG2 VAL A 261 -8.491 -7.111 8.282 1.00 0.18 C ATOM 0 H VAL A 261 -9.792 -6.921 6.174 1.00 0.16 H new ATOM 0 HA VAL A 261 -7.150 -7.539 5.986 1.00 0.16 H new ATOM 0 HB VAL A 261 -9.399 -8.881 7.587 1.00 0.19 H new ATOM 0 HG11 VAL A 261 -7.668 -9.597 9.124 1.00 0.21 H new ATOM 0 HG12 VAL A 261 -7.442 -10.308 7.508 1.00 0.21 H new ATOM 0 HG13 VAL A 261 -6.418 -8.951 8.035 1.00 0.21 H new ATOM 0 HG21 VAL A 261 -8.733 -7.321 9.324 1.00 0.18 H new ATOM 0 HG22 VAL A 261 -7.527 -6.604 8.229 1.00 0.18 H new ATOM 0 HG23 VAL A 261 -9.262 -6.471 7.852 1.00 0.18 H new ATOM 661 N GLY A 262 -6.740 -9.694 4.833 1.00 0.17 N ATOM 662 CA GLY A 262 -6.472 -10.956 4.194 1.00 0.18 C ATOM 663 C GLY A 262 -6.623 -10.858 2.710 1.00 0.17 C ATOM 664 O GLY A 262 -6.479 -11.838 1.979 1.00 0.19 O ATOM 0 H GLY A 262 -5.945 -9.056 4.870 1.00 0.17 H new ATOM 0 HA2 GLY A 262 -5.461 -11.282 4.438 1.00 0.18 H new ATOM 0 HA3 GLY A 262 -7.153 -11.714 4.581 1.00 0.18 H new ATOM 668 N GLU A 263 -6.950 -9.672 2.276 1.00 0.16 N ATOM 669 CA GLU A 263 -7.048 -9.365 0.885 1.00 0.17 C ATOM 670 C GLU A 263 -5.686 -8.932 0.386 1.00 0.13 C ATOM 671 O GLU A 263 -4.684 -9.217 1.014 1.00 0.11 O ATOM 672 CB GLU A 263 -8.104 -8.292 0.770 1.00 0.18 C ATOM 673 CG GLU A 263 -9.400 -8.774 1.378 1.00 0.21 C ATOM 674 CD GLU A 263 -10.415 -9.188 0.338 1.00 0.51 C ATOM 675 OE1 GLU A 263 -11.017 -8.302 -0.303 1.00 0.84 O ATOM 676 OE2 GLU A 263 -10.629 -10.408 0.171 1.00 0.75 O ATOM 0 H GLU A 263 -7.158 -8.885 2.890 1.00 0.16 H new ATOM 0 HA GLU A 263 -7.340 -10.214 0.267 1.00 0.17 H new ATOM 0 HB2 GLU A 263 -7.770 -7.386 1.276 1.00 0.18 H new ATOM 0 HB3 GLU A 263 -8.258 -8.033 -0.278 1.00 0.18 H new ATOM 0 HG2 GLU A 263 -9.196 -9.618 2.036 1.00 0.21 H new ATOM 0 HG3 GLU A 263 -9.823 -7.982 1.997 1.00 0.21 H new ATOM 683 N LEU A 264 -5.636 -8.236 -0.703 1.00 0.17 N ATOM 684 CA LEU A 264 -4.362 -7.880 -1.299 1.00 0.18 C ATOM 685 C LEU A 264 -4.425 -6.447 -1.761 1.00 0.17 C ATOM 686 O LEU A 264 -5.496 -5.893 -1.968 1.00 0.31 O ATOM 687 CB LEU A 264 -4.127 -8.849 -2.452 1.00 0.48 C ATOM 688 CG LEU A 264 -2.734 -8.994 -3.103 1.00 0.31 C ATOM 689 CD1 LEU A 264 -2.366 -7.802 -3.938 1.00 0.36 C ATOM 690 CD2 LEU A 264 -1.649 -9.249 -2.090 1.00 0.83 C ATOM 0 H LEU A 264 -6.455 -7.896 -1.208 1.00 0.17 H new ATOM 0 HA LEU A 264 -3.534 -7.956 -0.594 1.00 0.18 H new ATOM 0 HB2 LEU A 264 -4.419 -9.839 -2.101 1.00 0.48 H new ATOM 0 HB3 LEU A 264 -4.822 -8.575 -3.245 1.00 0.48 H new ATOM 0 HG LEU A 264 -2.811 -9.864 -3.755 1.00 0.31 H new ATOM 0 HD11 LEU A 264 -1.378 -7.954 -4.373 1.00 0.36 H new ATOM 0 HD12 LEU A 264 -3.098 -7.676 -4.735 1.00 0.36 H new ATOM 0 HD13 LEU A 264 -2.354 -6.909 -3.312 1.00 0.36 H new ATOM 0 HD21 LEU A 264 -0.690 -9.343 -2.600 1.00 0.83 H new ATOM 0 HD22 LEU A 264 -1.606 -8.418 -1.386 1.00 0.83 H new ATOM 0 HD23 LEU A 264 -1.865 -10.171 -1.550 1.00 0.83 H new ATOM 702 N VAL A 265 -3.275 -5.860 -1.874 1.00 0.19 N ATOM 703 CA VAL A 265 -3.132 -4.496 -2.286 1.00 0.19 C ATOM 704 C VAL A 265 -1.794 -4.355 -2.991 1.00 0.24 C ATOM 705 O VAL A 265 -0.953 -5.224 -2.878 1.00 0.47 O ATOM 706 CB VAL A 265 -3.213 -3.559 -1.057 1.00 0.16 C ATOM 707 CG1 VAL A 265 -1.886 -3.398 -0.343 1.00 0.25 C ATOM 708 CG2 VAL A 265 -3.710 -2.200 -1.405 1.00 0.27 C ATOM 0 H VAL A 265 -2.389 -6.325 -1.678 1.00 0.19 H new ATOM 0 HA VAL A 265 -3.935 -4.216 -2.967 1.00 0.19 H new ATOM 0 HB VAL A 265 -3.922 -4.053 -0.392 1.00 0.16 H new ATOM 0 HG11 VAL A 265 -2.010 -2.729 0.509 1.00 0.25 H new ATOM 0 HG12 VAL A 265 -1.540 -4.371 0.006 1.00 0.25 H new ATOM 0 HG13 VAL A 265 -1.152 -2.978 -1.030 1.00 0.25 H new ATOM 0 HG21 VAL A 265 -3.747 -1.585 -0.506 1.00 0.27 H new ATOM 0 HG22 VAL A 265 -3.038 -1.742 -2.131 1.00 0.27 H new ATOM 0 HG23 VAL A 265 -4.709 -2.277 -1.833 1.00 0.27 H new ATOM 718 N LYS A 266 -1.611 -3.309 -3.750 1.00 0.14 N ATOM 719 CA LYS A 266 -0.318 -3.033 -4.327 1.00 0.15 C ATOM 720 C LYS A 266 0.088 -1.650 -3.959 1.00 0.32 C ATOM 721 O LYS A 266 -0.759 -0.805 -3.736 1.00 0.74 O ATOM 722 CB LYS A 266 -0.350 -3.183 -5.846 1.00 0.26 C ATOM 723 CG LYS A 266 0.970 -2.807 -6.497 1.00 0.42 C ATOM 724 CD LYS A 266 0.798 -1.998 -7.773 1.00 0.57 C ATOM 725 CE LYS A 266 -0.199 -2.633 -8.737 1.00 0.96 C ATOM 726 NZ LYS A 266 0.300 -3.928 -9.276 1.00 1.84 N ATOM 0 H LYS A 266 -2.338 -2.633 -3.985 1.00 0.14 H new ATOM 0 HA LYS A 266 0.404 -3.750 -3.937 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -0.596 -4.214 -6.101 1.00 0.26 H new ATOM 0 HB3 LYS A 266 -1.143 -2.556 -6.253 1.00 0.26 H new ATOM 0 HG2 LYS A 266 1.567 -2.233 -5.788 1.00 0.42 H new ATOM 0 HG3 LYS A 266 1.529 -3.715 -6.723 1.00 0.42 H new ATOM 0 HD2 LYS A 266 0.463 -0.992 -7.519 1.00 0.57 H new ATOM 0 HD3 LYS A 266 1.764 -1.897 -8.268 1.00 0.57 H new ATOM 0 HE2 LYS A 266 -1.148 -2.794 -8.225 1.00 0.96 H new ATOM 0 HE3 LYS A 266 -0.394 -1.947 -9.562 1.00 0.96 H new ATOM 0 HZ1 LYS A 266 -0.057 -4.062 -10.243 1.00 1.84 H new ATOM 0 HZ2 LYS A 266 1.340 -3.921 -9.289 1.00 1.84 H new ATOM 0 HZ3 LYS A 266 -0.034 -4.707 -8.673 1.00 1.84 H new ATOM 740 N VAL A 267 1.365 -1.416 -3.824 1.00 0.14 N ATOM 741 CA VAL A 267 1.794 -0.069 -3.708 1.00 0.16 C ATOM 742 C VAL A 267 2.530 0.343 -4.975 1.00 0.20 C ATOM 743 O VAL A 267 3.638 -0.095 -5.278 1.00 0.23 O ATOM 744 CB VAL A 267 2.622 0.171 -2.439 1.00 0.20 C ATOM 745 CG1 VAL A 267 3.961 -0.548 -2.482 1.00 0.31 C ATOM 746 CG2 VAL A 267 2.763 1.659 -2.221 1.00 0.22 C ATOM 0 H VAL A 267 2.099 -2.123 -3.793 1.00 0.14 H new ATOM 0 HA VAL A 267 0.916 0.568 -3.602 1.00 0.16 H new ATOM 0 HB VAL A 267 2.100 -0.257 -1.583 1.00 0.20 H new ATOM 0 HG11 VAL A 267 4.511 -0.348 -1.562 1.00 0.31 H new ATOM 0 HG12 VAL A 267 3.795 -1.621 -2.580 1.00 0.31 H new ATOM 0 HG13 VAL A 267 4.538 -0.191 -3.335 1.00 0.31 H new ATOM 0 HG21 VAL A 267 3.350 1.841 -1.321 1.00 0.22 H new ATOM 0 HG22 VAL A 267 3.265 2.106 -3.079 1.00 0.22 H new ATOM 0 HG23 VAL A 267 1.775 2.105 -2.106 1.00 0.22 H new ATOM 756 N THR A 268 1.847 1.174 -5.722 1.00 0.21 N ATOM 757 CA THR A 268 2.324 1.693 -6.977 1.00 0.24 C ATOM 758 C THR A 268 2.782 3.147 -6.862 1.00 0.24 C ATOM 759 O THR A 268 3.590 3.614 -7.656 1.00 0.35 O ATOM 760 CB THR A 268 1.193 1.648 -8.014 1.00 0.26 C ATOM 761 OG1 THR A 268 1.550 2.423 -9.166 1.00 0.31 O ATOM 762 CG2 THR A 268 -0.106 2.169 -7.398 1.00 0.24 C ATOM 0 H THR A 268 0.921 1.516 -5.467 1.00 0.21 H new ATOM 0 HA THR A 268 3.170 1.075 -7.276 1.00 0.24 H new ATOM 0 HB THR A 268 1.038 0.615 -8.326 1.00 0.26 H new ATOM 0 HG1 THR A 268 0.823 2.387 -9.822 1.00 0.31 H new ATOM 0 HG21 THR A 268 -0.902 2.133 -8.142 1.00 0.24 H new ATOM 0 HG22 THR A 268 -0.379 1.548 -6.545 1.00 0.24 H new ATOM 0 HG23 THR A 268 0.035 3.198 -7.068 1.00 0.24 H new ATOM 770 N LYS A 269 2.257 3.857 -5.876 1.00 0.20 N ATOM 771 CA LYS A 269 2.337 5.302 -5.837 1.00 0.23 C ATOM 772 C LYS A 269 3.312 5.728 -4.768 1.00 0.28 C ATOM 773 O LYS A 269 3.141 5.386 -3.618 1.00 0.45 O ATOM 774 CB LYS A 269 0.956 5.868 -5.501 1.00 0.25 C ATOM 775 CG LYS A 269 0.844 7.382 -5.618 1.00 0.49 C ATOM 776 CD LYS A 269 1.134 7.859 -7.024 1.00 0.59 C ATOM 777 CE LYS A 269 2.391 8.705 -7.062 1.00 0.49 C ATOM 778 NZ LYS A 269 2.788 9.040 -8.457 1.00 1.40 N ATOM 0 H LYS A 269 1.765 3.445 -5.083 1.00 0.20 H new ATOM 0 HA LYS A 269 2.672 5.673 -6.806 1.00 0.23 H new ATOM 0 HB2 LYS A 269 0.220 5.411 -6.162 1.00 0.25 H new ATOM 0 HB3 LYS A 269 0.696 5.575 -4.484 1.00 0.25 H new ATOM 0 HG2 LYS A 269 -0.158 7.696 -5.327 1.00 0.49 H new ATOM 0 HG3 LYS A 269 1.540 7.853 -4.923 1.00 0.49 H new ATOM 0 HD2 LYS A 269 1.249 7.001 -7.687 1.00 0.59 H new ATOM 0 HD3 LYS A 269 0.290 8.439 -7.397 1.00 0.59 H new ATOM 0 HE2 LYS A 269 2.228 9.624 -6.499 1.00 0.49 H new ATOM 0 HE3 LYS A 269 3.204 8.171 -6.571 1.00 0.49 H new ATOM 0 HZ1 LYS A 269 3.652 9.619 -8.443 1.00 1.40 H new ATOM 0 HZ2 LYS A 269 2.968 8.163 -8.987 1.00 1.40 H new ATOM 0 HZ3 LYS A 269 2.022 9.572 -8.918 1.00 1.40 H new ATOM 792 N ILE A 270 4.351 6.438 -5.136 1.00 0.31 N ATOM 793 CA ILE A 270 5.280 6.954 -4.143 1.00 0.34 C ATOM 794 C ILE A 270 5.131 8.458 -4.030 1.00 0.38 C ATOM 795 O ILE A 270 5.558 9.211 -4.904 1.00 0.42 O ATOM 796 CB ILE A 270 6.738 6.600 -4.482 1.00 0.39 C ATOM 797 CG1 ILE A 270 6.822 5.154 -4.956 1.00 0.57 C ATOM 798 CG2 ILE A 270 7.654 6.828 -3.291 1.00 0.61 C ATOM 799 CD1 ILE A 270 6.082 4.174 -4.069 1.00 1.44 C ATOM 0 H ILE A 270 4.579 6.673 -6.102 1.00 0.31 H new ATOM 0 HA ILE A 270 5.037 6.485 -3.189 1.00 0.34 H new ATOM 0 HB ILE A 270 7.073 7.258 -5.284 1.00 0.39 H new ATOM 0 HG12 ILE A 270 6.420 5.089 -5.967 1.00 0.57 H new ATOM 0 HG13 ILE A 270 7.870 4.860 -5.010 1.00 0.57 H new ATOM 0 HG21 ILE A 270 8.677 6.568 -3.564 1.00 0.61 H new ATOM 0 HG22 ILE A 270 7.612 7.876 -2.995 1.00 0.61 H new ATOM 0 HG23 ILE A 270 7.331 6.203 -2.459 1.00 0.61 H new ATOM 0 HD11 ILE A 270 6.188 3.167 -4.472 1.00 1.44 H new ATOM 0 HD12 ILE A 270 6.499 4.208 -3.062 1.00 1.44 H new ATOM 0 HD13 ILE A 270 5.026 4.441 -4.034 1.00 1.44 H new ATOM 877 N TRP A 276 2.463 5.882 1.373 1.00 0.41 N ATOM 878 CA TRP A 276 2.255 5.977 -0.053 1.00 0.33 C ATOM 879 C TRP A 276 0.860 5.535 -0.427 1.00 0.23 C ATOM 880 O TRP A 276 0.053 5.184 0.435 1.00 0.22 O ATOM 881 CB TRP A 276 3.252 5.134 -0.839 1.00 0.41 C ATOM 882 CG TRP A 276 4.573 4.905 -0.171 1.00 0.62 C ATOM 883 CD1 TRP A 276 4.996 3.756 0.423 1.00 0.98 C ATOM 884 CD2 TRP A 276 5.641 5.838 -0.039 1.00 0.58 C ATOM 885 NE1 TRP A 276 6.264 3.926 0.922 1.00 1.10 N ATOM 886 CE2 TRP A 276 6.676 5.200 0.658 1.00 0.86 C ATOM 887 CE3 TRP A 276 5.813 7.151 -0.438 1.00 0.52 C ATOM 888 CZ2 TRP A 276 7.873 5.840 0.963 1.00 0.93 C ATOM 889 CZ3 TRP A 276 7.000 7.794 -0.139 1.00 0.69 C ATOM 890 CH2 TRP A 276 8.016 7.138 0.560 1.00 0.82 C ATOM 0 HA TRP A 276 2.399 7.026 -0.311 1.00 0.33 H new ATOM 0 HB2 TRP A 276 2.797 4.165 -1.047 1.00 0.41 H new ATOM 0 HB3 TRP A 276 3.430 5.616 -1.800 1.00 0.41 H new ATOM 0 HD1 TRP A 276 4.420 2.845 0.492 1.00 0.98 H new ATOM 0 HE1 TRP A 276 6.809 3.216 1.410 1.00 1.10 H new ATOM 0 HE3 TRP A 276 5.031 7.667 -0.976 1.00 0.52 H new ATOM 0 HZ2 TRP A 276 8.660 5.330 1.498 1.00 0.93 H new ATOM 0 HZ3 TRP A 276 7.144 8.818 -0.450 1.00 0.69 H new ATOM 0 HH2 TRP A 276 8.931 7.666 0.786 1.00 0.82 H new ATOM 901 N GLU A 277 0.599 5.549 -1.720 1.00 0.19 N ATOM 902 CA GLU A 277 -0.668 5.157 -2.249 1.00 0.16 C ATOM 903 C GLU A 277 -0.536 3.837 -2.931 1.00 0.19 C ATOM 904 O GLU A 277 0.558 3.350 -3.142 1.00 0.48 O ATOM 905 CB GLU A 277 -1.201 6.225 -3.183 1.00 0.15 C ATOM 906 CG GLU A 277 -2.006 7.260 -2.439 1.00 0.23 C ATOM 907 CD GLU A 277 -2.330 8.490 -3.262 1.00 0.27 C ATOM 908 OE1 GLU A 277 -2.475 8.357 -4.492 1.00 1.03 O ATOM 909 OE2 GLU A 277 -2.418 9.595 -2.687 1.00 0.92 O ATOM 0 H GLU A 277 1.274 5.837 -2.428 1.00 0.19 H new ATOM 0 HA GLU A 277 -1.388 5.048 -1.438 1.00 0.16 H new ATOM 0 HB2 GLU A 277 -0.370 6.709 -3.696 1.00 0.15 H new ATOM 0 HB3 GLU A 277 -1.822 5.762 -3.950 1.00 0.15 H new ATOM 0 HG2 GLU A 277 -2.937 6.807 -2.098 1.00 0.23 H new ATOM 0 HG3 GLU A 277 -1.455 7.564 -1.549 1.00 0.23 H new ATOM 916 N GLY A 278 -1.648 3.265 -3.254 1.00 0.39 N ATOM 917 CA GLY A 278 -1.666 1.932 -3.728 1.00 0.34 C ATOM 918 C GLY A 278 -2.763 1.735 -4.723 1.00 0.28 C ATOM 919 O GLY A 278 -3.556 2.639 -4.966 1.00 0.32 O ATOM 0 H GLY A 278 -2.564 3.711 -3.195 1.00 0.39 H new ATOM 0 HA2 GLY A 278 -0.707 1.692 -4.186 1.00 0.34 H new ATOM 0 HA3 GLY A 278 -1.801 1.246 -2.892 1.00 0.34 H new ATOM 923 N GLU A 279 -2.802 0.564 -5.292 1.00 0.22 N ATOM 924 CA GLU A 279 -3.823 0.196 -6.223 1.00 0.18 C ATOM 925 C GLU A 279 -4.101 -1.277 -6.039 1.00 0.13 C ATOM 926 O GLU A 279 -3.251 -2.123 -6.311 1.00 0.14 O ATOM 927 CB GLU A 279 -3.382 0.448 -7.655 1.00 0.25 C ATOM 928 CG GLU A 279 -4.464 1.089 -8.490 1.00 0.27 C ATOM 929 CD GLU A 279 -4.131 1.110 -9.964 1.00 0.66 C ATOM 930 OE1 GLU A 279 -3.125 1.745 -10.344 1.00 1.08 O ATOM 931 OE2 GLU A 279 -4.873 0.484 -10.748 1.00 0.99 O ATOM 0 H GLU A 279 -2.115 -0.170 -5.118 1.00 0.22 H new ATOM 0 HA GLU A 279 -4.714 0.796 -6.039 1.00 0.18 H new ATOM 0 HB2 GLU A 279 -2.501 1.090 -7.653 1.00 0.25 H new ATOM 0 HB3 GLU A 279 -3.087 -0.496 -8.112 1.00 0.25 H new ATOM 0 HG2 GLU A 279 -5.399 0.549 -8.341 1.00 0.27 H new ATOM 0 HG3 GLU A 279 -4.627 2.110 -8.144 1.00 0.27 H new ATOM 938 N CYS A 280 -5.251 -1.576 -5.520 1.00 0.10 N ATOM 939 CA CYS A 280 -5.659 -2.942 -5.366 1.00 0.12 C ATOM 940 C CYS A 280 -6.671 -3.290 -6.421 1.00 0.15 C ATOM 941 O CYS A 280 -7.863 -3.114 -6.201 1.00 0.19 O ATOM 942 CB CYS A 280 -6.283 -3.131 -4.005 1.00 0.17 C ATOM 943 SG CYS A 280 -7.229 -4.649 -3.824 1.00 1.52 S ATOM 0 H CYS A 280 -5.930 -0.889 -5.193 1.00 0.10 H new ATOM 0 HA CYS A 280 -4.788 -3.589 -5.466 1.00 0.12 H new ATOM 0 HB2 CYS A 280 -5.495 -3.117 -3.253 1.00 0.17 H new ATOM 0 HB3 CYS A 280 -6.936 -2.284 -3.798 1.00 0.17 H new ATOM 0 HG CYS A 280 -6.626 -5.439 -2.986 1.00 1.52 H new ATOM 949 N ASN A 281 -6.189 -3.776 -7.560 1.00 0.18 N ATOM 950 CA ASN A 281 -7.055 -4.229 -8.644 1.00 0.25 C ATOM 951 C ASN A 281 -8.284 -3.328 -8.813 1.00 0.23 C ATOM 952 O ASN A 281 -9.396 -3.802 -9.047 1.00 0.32 O ATOM 953 CB ASN A 281 -7.450 -5.684 -8.389 1.00 0.33 C ATOM 954 CG ASN A 281 -6.285 -6.628 -8.628 1.00 0.48 C ATOM 955 OD1 ASN A 281 -6.194 -7.262 -9.678 1.00 1.04 O ATOM 956 ND2 ASN A 281 -5.355 -6.690 -7.677 1.00 0.69 N ATOM 0 H ASN A 281 -5.193 -3.867 -7.758 1.00 0.18 H new ATOM 0 HA ASN A 281 -6.506 -4.166 -9.584 1.00 0.25 H new ATOM 0 HB2 ASN A 281 -7.802 -5.792 -7.363 1.00 0.33 H new ATOM 0 HB3 ASN A 281 -8.280 -5.956 -9.041 1.00 0.33 H new ATOM 0 HD21 ASN A 281 -4.532 -7.278 -7.806 1.00 0.69 H new ATOM 0 HD22 ASN A 281 -5.466 -6.149 -6.819 1.00 0.69 H new ATOM 963 N GLY A 282 -8.060 -2.020 -8.699 1.00 0.17 N ATOM 964 CA GLY A 282 -9.112 -1.055 -8.918 1.00 0.18 C ATOM 965 C GLY A 282 -9.595 -0.377 -7.648 1.00 0.16 C ATOM 966 O GLY A 282 -10.666 0.230 -7.628 1.00 0.28 O ATOM 0 H GLY A 282 -7.156 -1.614 -8.456 1.00 0.17 H new ATOM 0 HA2 GLY A 282 -8.756 -0.294 -9.612 1.00 0.18 H new ATOM 0 HA3 GLY A 282 -9.955 -1.553 -9.396 1.00 0.18 H new ATOM 970 N LYS A 283 -8.807 -0.476 -6.588 1.00 0.10 N ATOM 971 CA LYS A 283 -8.906 0.458 -5.483 1.00 0.10 C ATOM 972 C LYS A 283 -7.594 1.167 -5.417 1.00 0.09 C ATOM 973 O LYS A 283 -6.574 0.600 -5.774 1.00 0.12 O ATOM 974 CB LYS A 283 -9.156 -0.157 -4.100 1.00 0.11 C ATOM 975 CG LYS A 283 -10.398 -1.017 -3.974 1.00 0.15 C ATOM 976 CD LYS A 283 -10.223 -2.379 -4.616 1.00 0.14 C ATOM 977 CE LYS A 283 -11.516 -3.146 -4.619 1.00 0.24 C ATOM 978 NZ LYS A 283 -11.420 -4.412 -5.392 1.00 0.38 N ATOM 0 H LYS A 283 -8.093 -1.195 -6.472 1.00 0.10 H new ATOM 0 HA LYS A 283 -9.772 1.088 -5.686 1.00 0.10 H new ATOM 0 HB2 LYS A 283 -8.290 -0.761 -3.830 1.00 0.11 H new ATOM 0 HB3 LYS A 283 -9.221 0.650 -3.371 1.00 0.11 H new ATOM 0 HG2 LYS A 283 -10.644 -1.144 -2.920 1.00 0.15 H new ATOM 0 HG3 LYS A 283 -11.241 -0.505 -4.438 1.00 0.15 H new ATOM 0 HD2 LYS A 283 -9.865 -2.259 -5.639 1.00 0.14 H new ATOM 0 HD3 LYS A 283 -9.463 -2.944 -4.076 1.00 0.14 H new ATOM 0 HE2 LYS A 283 -11.805 -3.371 -3.592 1.00 0.24 H new ATOM 0 HE3 LYS A 283 -12.304 -2.523 -5.042 1.00 0.24 H new ATOM 0 HZ1 LYS A 283 -12.335 -4.905 -5.365 1.00 0.38 H new ATOM 0 HZ2 LYS A 283 -11.171 -4.198 -6.379 1.00 0.38 H new ATOM 0 HZ3 LYS A 283 -10.687 -5.019 -4.974 1.00 0.38 H new ATOM 992 N ARG A 284 -7.612 2.388 -4.972 1.00 0.07 N ATOM 993 CA ARG A 284 -6.398 3.148 -4.828 1.00 0.09 C ATOM 994 C ARG A 284 -6.468 3.947 -3.561 1.00 0.11 C ATOM 995 O ARG A 284 -7.554 4.333 -3.144 1.00 0.13 O ATOM 996 CB ARG A 284 -6.201 4.065 -6.001 1.00 0.11 C ATOM 997 CG ARG A 284 -6.476 3.366 -7.301 1.00 0.20 C ATOM 998 CD ARG A 284 -5.876 4.131 -8.453 1.00 0.35 C ATOM 999 NE ARG A 284 -6.221 3.575 -9.759 1.00 0.68 N ATOM 1000 CZ ARG A 284 -6.005 4.211 -10.910 1.00 1.10 C ATOM 1001 NH1 ARG A 284 -5.498 5.441 -10.905 1.00 1.42 N ATOM 1002 NH2 ARG A 284 -6.300 3.625 -12.064 1.00 1.46 N ATOM 0 H ARG A 284 -8.460 2.886 -4.699 1.00 0.07 H new ATOM 0 HA ARG A 284 -5.552 2.462 -4.788 1.00 0.09 H new ATOM 0 HB2 ARG A 284 -6.861 4.927 -5.904 1.00 0.11 H new ATOM 0 HB3 ARG A 284 -5.179 4.444 -6.000 1.00 0.11 H new ATOM 0 HG2 ARG A 284 -6.063 2.358 -7.272 1.00 0.20 H new ATOM 0 HG3 ARG A 284 -7.552 3.265 -7.445 1.00 0.20 H new ATOM 0 HD2 ARG A 284 -6.212 5.167 -8.407 1.00 0.35 H new ATOM 0 HD3 ARG A 284 -4.791 4.143 -8.346 1.00 0.35 H new ATOM 0 HE ARG A 284 -6.650 2.650 -9.792 1.00 0.68 H new ATOM 0 HH11 ARG A 284 -5.275 5.897 -10.020 1.00 1.42 H new ATOM 0 HH12 ARG A 284 -5.333 5.928 -11.786 1.00 1.42 H new ATOM 0 HH21 ARG A 284 -6.694 2.684 -12.072 1.00 1.46 H new ATOM 0 HH22 ARG A 284 -6.133 4.116 -12.942 1.00 1.46 H new ATOM 1016 N GLY A 285 -5.336 4.213 -2.960 1.00 0.13 N ATOM 1017 CA GLY A 285 -5.363 4.927 -1.717 1.00 0.14 C ATOM 1018 C GLY A 285 -4.113 4.800 -0.887 1.00 0.15 C ATOM 1019 O GLY A 285 -3.259 3.980 -1.160 1.00 0.24 O ATOM 0 H GLY A 285 -4.411 3.953 -3.302 1.00 0.13 H new ATOM 0 HA2 GLY A 285 -5.538 5.983 -1.925 1.00 0.14 H new ATOM 0 HA3 GLY A 285 -6.210 4.573 -1.129 1.00 0.14 H new ATOM 1023 N HIS A 286 -4.039 5.585 0.169 1.00 0.11 N ATOM 1024 CA HIS A 286 -2.843 5.670 0.974 1.00 0.12 C ATOM 1025 C HIS A 286 -3.099 5.113 2.338 1.00 0.12 C ATOM 1026 O HIS A 286 -4.137 5.387 2.935 1.00 0.15 O ATOM 1027 CB HIS A 286 -2.372 7.122 1.091 1.00 0.14 C ATOM 1028 CG HIS A 286 -3.485 8.133 1.110 1.00 0.15 C ATOM 1029 ND1 HIS A 286 -4.477 8.159 2.073 1.00 0.21 N ATOM 1030 CD2 HIS A 286 -3.776 9.136 0.251 1.00 0.19 C ATOM 1031 CE1 HIS A 286 -5.327 9.133 1.798 1.00 0.25 C ATOM 1032 NE2 HIS A 286 -4.921 9.739 0.702 1.00 0.23 N ATOM 0 H HIS A 286 -4.804 6.178 0.490 1.00 0.11 H new ATOM 0 HA HIS A 286 -2.062 5.086 0.487 1.00 0.12 H new ATOM 0 HB2 HIS A 286 -1.784 7.229 2.003 1.00 0.14 H new ATOM 0 HB3 HIS A 286 -1.708 7.345 0.256 1.00 0.14 H new ATOM 0 HD1 HIS A 286 -4.542 7.526 2.870 1.00 0.21 H new ATOM 0 HD2 HIS A 286 -3.211 9.411 -0.627 1.00 0.19 H new ATOM 0 HE1 HIS A 286 -6.204 9.388 2.374 1.00 0.25 H new ATOM 0 HE2 HIS A 286 -5.385 10.532 0.259 1.00 0.23 H new ATOM 1041 N PHE A 287 -2.124 4.380 2.842 1.00 0.10 N ATOM 1042 CA PHE A 287 -2.338 3.551 4.021 1.00 0.11 C ATOM 1043 C PHE A 287 -1.021 2.975 4.537 1.00 0.15 C ATOM 1044 O PHE A 287 -0.282 2.348 3.780 1.00 0.23 O ATOM 1045 CB PHE A 287 -3.283 2.389 3.680 1.00 0.12 C ATOM 1046 CG PHE A 287 -4.770 2.651 3.811 1.00 0.10 C ATOM 1047 CD1 PHE A 287 -5.295 3.457 4.814 1.00 0.12 C ATOM 1048 CD2 PHE A 287 -5.646 2.074 2.908 1.00 0.09 C ATOM 1049 CE1 PHE A 287 -6.657 3.676 4.903 1.00 0.13 C ATOM 1050 CE2 PHE A 287 -7.003 2.291 2.992 1.00 0.09 C ATOM 1051 CZ PHE A 287 -7.510 3.093 3.989 1.00 0.12 C ATOM 0 H PHE A 287 -1.180 4.339 2.458 1.00 0.10 H new ATOM 0 HA PHE A 287 -2.778 4.181 4.794 1.00 0.11 H new ATOM 0 HB2 PHE A 287 -3.083 2.079 2.654 1.00 0.12 H new ATOM 0 HB3 PHE A 287 -3.029 1.546 4.323 1.00 0.12 H new ATOM 0 HD1 PHE A 287 -4.632 3.917 5.532 1.00 0.12 H new ATOM 0 HD2 PHE A 287 -5.258 1.442 2.123 1.00 0.09 H new ATOM 0 HE1 PHE A 287 -7.053 4.303 5.688 1.00 0.13 H new ATOM 0 HE2 PHE A 287 -7.669 1.832 2.276 1.00 0.09 H new ATOM 0 HZ PHE A 287 -8.574 3.266 4.056 1.00 0.12 H new ATOM 1061 N PRO A 288 -0.721 3.181 5.832 1.00 0.17 N ATOM 1062 CA PRO A 288 0.484 2.663 6.497 1.00 0.23 C ATOM 1063 C PRO A 288 0.734 1.167 6.306 1.00 0.18 C ATOM 1064 O PRO A 288 -0.164 0.386 5.983 1.00 0.16 O ATOM 1065 CB PRO A 288 0.241 2.973 7.982 1.00 0.35 C ATOM 1066 CG PRO A 288 -1.193 3.360 8.071 1.00 0.33 C ATOM 1067 CD PRO A 288 -1.498 4.001 6.761 1.00 0.23 C ATOM 0 HA PRO A 288 1.374 3.127 6.071 1.00 0.23 H new ATOM 0 HB2 PRO A 288 0.454 2.105 8.605 1.00 0.35 H new ATOM 0 HB3 PRO A 288 0.888 3.779 8.327 1.00 0.35 H new ATOM 0 HG2 PRO A 288 -1.827 2.490 8.243 1.00 0.33 H new ATOM 0 HG3 PRO A 288 -1.366 4.049 8.898 1.00 0.33 H new ATOM 0 HD2 PRO A 288 -2.564 3.977 6.533 1.00 0.23 H new ATOM 0 HD3 PRO A 288 -1.191 5.047 6.737 1.00 0.23 H new ATOM 1075 N PHE A 289 1.988 0.786 6.507 1.00 0.23 N ATOM 1076 CA PHE A 289 2.409 -0.615 6.436 1.00 0.26 C ATOM 1077 C PHE A 289 1.970 -1.381 7.672 1.00 0.23 C ATOM 1078 O PHE A 289 2.024 -2.609 7.704 1.00 0.26 O ATOM 1079 CB PHE A 289 3.923 -0.710 6.262 1.00 0.38 C ATOM 1080 CG PHE A 289 4.492 -2.090 6.448 1.00 0.29 C ATOM 1081 CD1 PHE A 289 4.489 -2.995 5.406 1.00 0.26 C ATOM 1082 CD2 PHE A 289 5.036 -2.476 7.660 1.00 0.32 C ATOM 1083 CE1 PHE A 289 5.017 -4.261 5.564 1.00 0.26 C ATOM 1084 CE2 PHE A 289 5.563 -3.742 7.828 1.00 0.31 C ATOM 1085 CZ PHE A 289 5.556 -4.634 6.777 1.00 0.26 C ATOM 0 H PHE A 289 2.745 1.435 6.724 1.00 0.23 H new ATOM 0 HA PHE A 289 1.928 -1.067 5.569 1.00 0.26 H new ATOM 0 HB2 PHE A 289 4.183 -0.356 5.265 1.00 0.38 H new ATOM 0 HB3 PHE A 289 4.400 -0.036 6.974 1.00 0.38 H new ATOM 0 HD1 PHE A 289 4.068 -2.709 4.454 1.00 0.26 H new ATOM 0 HD2 PHE A 289 5.049 -1.779 8.485 1.00 0.32 H new ATOM 0 HE1 PHE A 289 5.008 -4.958 4.739 1.00 0.26 H new ATOM 0 HE2 PHE A 289 5.980 -4.032 8.781 1.00 0.31 H new ATOM 0 HZ PHE A 289 5.972 -5.623 6.903 1.00 0.26 H new ATOM 1095 N THR A 290 1.489 -0.648 8.663 1.00 0.24 N ATOM 1096 CA THR A 290 1.073 -1.206 9.937 1.00 0.27 C ATOM 1097 C THR A 290 -0.017 -2.268 9.790 1.00 0.23 C ATOM 1098 O THR A 290 -0.506 -2.801 10.787 1.00 0.28 O ATOM 1099 CB THR A 290 0.558 -0.086 10.844 1.00 0.36 C ATOM 1100 OG1 THR A 290 -0.370 0.729 10.117 1.00 0.62 O ATOM 1101 CG2 THR A 290 1.705 0.770 11.358 1.00 0.44 C ATOM 0 H THR A 290 1.376 0.364 8.603 1.00 0.24 H new ATOM 0 HA THR A 290 1.947 -1.689 10.374 1.00 0.27 H new ATOM 0 HB THR A 290 0.059 -0.536 11.702 1.00 0.36 H new ATOM 0 HG1 THR A 290 -0.338 1.646 10.460 1.00 0.62 H new ATOM 0 HG21 THR A 290 1.312 1.558 12.000 1.00 0.44 H new ATOM 0 HG22 THR A 290 2.396 0.149 11.928 1.00 0.44 H new ATOM 0 HG23 THR A 290 2.231 1.218 10.515 1.00 0.44 H new ATOM 1109 N HIS A 291 -0.407 -2.580 8.558 1.00 0.17 N ATOM 1110 CA HIS A 291 -1.497 -3.486 8.343 1.00 0.16 C ATOM 1111 C HIS A 291 -1.423 -4.108 6.969 1.00 0.14 C ATOM 1112 O HIS A 291 -2.455 -4.384 6.349 1.00 0.13 O ATOM 1113 CB HIS A 291 -2.856 -2.813 8.561 1.00 0.20 C ATOM 1114 CG HIS A 291 -2.993 -1.383 8.124 1.00 0.30 C ATOM 1115 ND1 HIS A 291 -3.635 -0.348 8.716 1.00 0.40 N flip ATOM 1116 CD2 HIS A 291 -2.535 -0.904 6.922 1.00 0.94 C flip ATOM 1117 CE1 HIS A 291 -3.573 0.722 7.862 1.00 0.19 C flip ATOM 1118 NE2 HIS A 291 -2.901 0.359 6.792 1.00 0.77 N flip ATOM 0 H HIS A 291 0.021 -2.214 7.707 1.00 0.17 H new ATOM 0 HA HIS A 291 -1.404 -4.279 9.085 1.00 0.16 H new ATOM 0 HB2 HIS A 291 -3.611 -3.400 8.038 1.00 0.20 H new ATOM 0 HB3 HIS A 291 -3.092 -2.865 9.624 1.00 0.20 H new ATOM 0 HD1 HIS A 291 -4.084 -0.362 9.632 1.00 0.40 H new ATOM 0 HD2 HIS A 291 -1.966 -1.469 6.198 1.00 0.94 H new ATOM 0 HE1 HIS A 291 -4.003 1.697 8.038 1.00 0.19 H new ATOM 1127 N VAL A 292 -0.210 -4.328 6.475 1.00 0.16 N ATOM 1128 CA VAL A 292 -0.040 -5.169 5.309 1.00 0.15 C ATOM 1129 C VAL A 292 1.041 -6.205 5.506 1.00 0.19 C ATOM 1130 O VAL A 292 2.057 -5.970 6.156 1.00 0.22 O ATOM 1131 CB VAL A 292 0.281 -4.357 4.053 1.00 0.14 C ATOM 1132 CG1 VAL A 292 -0.910 -3.533 3.661 1.00 0.17 C ATOM 1133 CG2 VAL A 292 1.484 -3.474 4.281 1.00 0.31 C ATOM 0 H VAL A 292 0.652 -3.941 6.859 1.00 0.16 H new ATOM 0 HA VAL A 292 -0.997 -5.673 5.173 1.00 0.15 H new ATOM 0 HB VAL A 292 0.517 -5.046 3.242 1.00 0.14 H new ATOM 0 HG11 VAL A 292 -0.675 -2.957 2.766 1.00 0.17 H new ATOM 0 HG12 VAL A 292 -1.756 -4.190 3.458 1.00 0.17 H new ATOM 0 HG13 VAL A 292 -1.165 -2.853 4.474 1.00 0.17 H new ATOM 0 HG21 VAL A 292 1.695 -2.905 3.375 1.00 0.31 H new ATOM 0 HG22 VAL A 292 1.280 -2.787 5.102 1.00 0.31 H new ATOM 0 HG23 VAL A 292 2.347 -4.092 4.531 1.00 0.31 H new ATOM 1143 N ARG A 293 0.769 -7.364 4.959 1.00 0.22 N ATOM 1144 CA ARG A 293 1.777 -8.348 4.692 1.00 0.21 C ATOM 1145 C ARG A 293 2.172 -8.029 3.282 1.00 0.32 C ATOM 1146 O ARG A 293 1.423 -7.334 2.625 1.00 0.70 O ATOM 1147 CB ARG A 293 1.189 -9.757 4.753 1.00 0.19 C ATOM 1148 CG ARG A 293 0.134 -9.942 5.819 1.00 0.17 C ATOM 1149 CD ARG A 293 -0.541 -11.297 5.712 1.00 0.26 C ATOM 1150 NE ARG A 293 0.347 -12.349 5.217 1.00 0.27 N ATOM 1151 CZ ARG A 293 0.127 -13.651 5.395 1.00 0.52 C ATOM 1152 NH1 ARG A 293 -0.884 -14.066 6.150 1.00 1.09 N ATOM 1153 NH2 ARG A 293 0.936 -14.540 4.834 1.00 0.60 N ATOM 0 H ARG A 293 -0.171 -7.650 4.685 1.00 0.22 H new ATOM 0 HA ARG A 293 2.600 -8.325 5.406 1.00 0.21 H new ATOM 0 HB2 ARG A 293 0.756 -10.000 3.783 1.00 0.19 H new ATOM 0 HB3 ARG A 293 1.996 -10.468 4.929 1.00 0.19 H new ATOM 0 HG2 ARG A 293 0.590 -9.839 6.804 1.00 0.17 H new ATOM 0 HG3 ARG A 293 -0.615 -9.155 5.731 1.00 0.17 H new ATOM 0 HD2 ARG A 293 -0.921 -11.584 6.692 1.00 0.26 H new ATOM 0 HD3 ARG A 293 -1.401 -11.215 5.048 1.00 0.26 H new ATOM 0 HE ARG A 293 1.184 -12.069 4.705 1.00 0.27 H new ATOM 0 HH11 ARG A 293 -1.498 -13.386 6.598 1.00 1.09 H new ATOM 0 HH12 ARG A 293 -1.046 -15.064 6.281 1.00 1.09 H new ATOM 0 HH21 ARG A 293 1.724 -14.226 4.268 1.00 0.60 H new ATOM 0 HH22 ARG A 293 0.770 -15.537 4.969 1.00 0.60 H new ATOM 1167 N LEU A 294 3.314 -8.425 2.802 1.00 0.18 N ATOM 1168 CA LEU A 294 3.575 -8.172 1.400 1.00 0.18 C ATOM 1169 C LEU A 294 3.662 -9.436 0.552 1.00 0.21 C ATOM 1170 O LEU A 294 3.608 -10.563 1.052 1.00 0.30 O ATOM 1171 CB LEU A 294 4.824 -7.337 1.171 1.00 0.22 C ATOM 1172 CG LEU A 294 5.097 -6.215 2.176 1.00 0.30 C ATOM 1173 CD1 LEU A 294 6.275 -5.377 1.722 1.00 0.66 C ATOM 1174 CD2 LEU A 294 3.874 -5.339 2.367 1.00 0.58 C ATOM 0 H LEU A 294 4.051 -8.901 3.322 1.00 0.18 H new ATOM 0 HA LEU A 294 2.703 -7.605 1.074 1.00 0.18 H new ATOM 0 HB2 LEU A 294 5.684 -8.006 1.167 1.00 0.22 H new ATOM 0 HB3 LEU A 294 4.760 -6.895 0.177 1.00 0.22 H new ATOM 0 HG LEU A 294 5.337 -6.674 3.135 1.00 0.30 H new ATOM 0 HD11 LEU A 294 6.457 -4.583 2.446 1.00 0.66 H new ATOM 0 HD12 LEU A 294 7.161 -6.007 1.643 1.00 0.66 H new ATOM 0 HD13 LEU A 294 6.055 -4.937 0.749 1.00 0.66 H new ATOM 0 HD21 LEU A 294 4.099 -4.552 3.086 1.00 0.58 H new ATOM 0 HD22 LEU A 294 3.595 -4.891 1.413 1.00 0.58 H new ATOM 0 HD23 LEU A 294 3.047 -5.944 2.739 1.00 0.58 H new ATOM 1186 N LEU A 295 3.783 -9.195 -0.751 1.00 0.20 N ATOM 1187 CA LEU A 295 3.868 -10.205 -1.768 1.00 0.22 C ATOM 1188 C LEU A 295 4.957 -9.825 -2.765 1.00 0.28 C ATOM 1189 O LEU A 295 5.802 -8.977 -2.479 1.00 0.31 O ATOM 1190 CB LEU A 295 2.557 -10.248 -2.513 1.00 0.23 C ATOM 1191 CG LEU A 295 1.905 -11.611 -2.633 1.00 0.25 C ATOM 1192 CD1 LEU A 295 1.271 -11.948 -1.310 1.00 0.29 C ATOM 1193 CD2 LEU A 295 0.874 -11.625 -3.753 1.00 0.28 C ATOM 0 H LEU A 295 3.825 -8.248 -1.128 1.00 0.20 H new ATOM 0 HA LEU A 295 4.091 -11.169 -1.310 1.00 0.22 H new ATOM 0 HB2 LEU A 295 1.858 -9.575 -2.017 1.00 0.23 H new ATOM 0 HB3 LEU A 295 2.719 -9.855 -3.517 1.00 0.23 H new ATOM 0 HG LEU A 295 2.656 -12.360 -2.883 1.00 0.25 H new ATOM 0 HD11 LEU A 295 0.795 -12.926 -1.373 1.00 0.29 H new ATOM 0 HD12 LEU A 295 2.036 -11.966 -0.534 1.00 0.29 H new ATOM 0 HD13 LEU A 295 0.522 -11.195 -1.063 1.00 0.29 H new ATOM 0 HD21 LEU A 295 0.421 -12.614 -3.818 1.00 0.28 H new ATOM 0 HD22 LEU A 295 0.101 -10.885 -3.545 1.00 0.28 H new ATOM 0 HD23 LEU A 295 1.361 -11.386 -4.699 1.00 0.28 H new ATOM 1205 N ASP A 296 4.894 -10.410 -3.958 1.00 0.39 N ATOM 1206 CA ASP A 296 5.865 -10.120 -5.004 1.00 0.50 C ATOM 1207 C ASP A 296 5.650 -8.738 -5.613 1.00 0.73 C ATOM 1208 O ASP A 296 6.075 -7.746 -5.036 1.00 1.81 O ATOM 1209 CB ASP A 296 5.840 -11.187 -6.097 1.00 0.84 C ATOM 1210 CG ASP A 296 6.591 -12.438 -5.697 1.00 1.76 C ATOM 1211 OD1 ASP A 296 7.826 -12.368 -5.527 1.00 2.44 O ATOM 1212 OD2 ASP A 296 5.953 -13.498 -5.557 1.00 2.42 O ATOM 0 H ASP A 296 4.179 -11.088 -4.223 1.00 0.39 H new ATOM 0 HA ASP A 296 6.847 -10.130 -4.531 1.00 0.50 H new ATOM 0 HB2 ASP A 296 4.806 -11.445 -6.326 1.00 0.84 H new ATOM 0 HB3 ASP A 296 6.277 -10.780 -7.009 1.00 0.84 H new ATOM 1217 N GLN A 297 4.977 -8.663 -6.760 1.00 0.53 N ATOM 1218 CA GLN A 297 4.885 -7.415 -7.509 1.00 0.41 C ATOM 1219 C GLN A 297 3.794 -7.482 -8.574 1.00 0.64 C ATOM 1220 O GLN A 297 3.860 -8.368 -9.448 1.00 1.25 O ATOM 1221 CB GLN A 297 6.247 -7.133 -8.137 1.00 0.51 C ATOM 1222 CG GLN A 297 6.797 -8.284 -8.957 1.00 0.88 C ATOM 1223 CD GLN A 297 8.291 -8.181 -9.178 1.00 0.87 C ATOM 1224 OE1 GLN A 297 9.000 -7.650 -8.192 1.00 1.02 O flip ATOM 1225 NE2 GLN A 297 8.809 -8.606 -10.209 1.00 1.02 N flip ATOM 1226 OXT GLN A 297 2.882 -6.633 -8.538 1.00 1.41 O ATOM 0 H GLN A 297 4.490 -9.450 -7.188 1.00 0.53 H new ATOM 0 HA GLN A 297 4.612 -6.604 -6.833 1.00 0.41 H new ATOM 0 HB2 GLN A 297 6.167 -6.252 -8.774 1.00 0.51 H new ATOM 0 HB3 GLN A 297 6.957 -6.891 -7.346 1.00 0.51 H new ATOM 0 HG2 GLN A 297 6.572 -9.224 -8.453 1.00 0.88 H new ATOM 0 HG3 GLN A 297 6.292 -8.311 -9.922 1.00 0.88 H new ATOM 0 HE21 GLN A 297 8.227 -9.007 -10.944 1.00 1.02 H new ATOM 0 HE22 GLN A 297 9.821 -8.557 -10.329 1.00 1.02 H new