USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=8 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 Set 1.1: A 240 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 281 ASN : amide:sc= -0.733 K(o=-0.73,f=0) USER MOD Single : A 245 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 246 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0446) USER MOD Single : A 250 ASN : amide:sc= -2.31 K(o=-2.3,f=-11!) USER MOD Single : A 252 TYR OH : rot 180:sc= 0 USER MOD Single : A 254 LYS NZ :NH3+ -179:sc= 0.482 (180deg=0.446) USER MOD Single : A 255 THR OG1 : rot 7:sc= 0.991 USER MOD Single : A 266 LYS NZ :NH3+ 180:sc= 0 (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 -38:sc= -18.2! USER MOD Single : A 283 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 286 HIS : no HD1:sc= -0.514 K(o=-0.51,f=-2!) USER MOD Single : A 290 THR OG1 : rot 180:sc= -1.52! USER MOD Single : A 291 HIS : no HD1:sc= -2.23 K(o=-2.2,f=-1.5) USER MOD Single : A 297 GLN : amide:sc= 0.899 K(o=0.9,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 262 N PRO A 238 6.201 -2.664 -8.390 1.00 0.40 N ATOM 263 CA PRO A 238 5.453 -2.692 -7.143 1.00 0.28 C ATOM 264 C PRO A 238 5.090 -4.046 -6.718 1.00 0.28 C ATOM 265 O PRO A 238 4.701 -4.919 -7.492 1.00 0.41 O ATOM 266 CB PRO A 238 4.225 -1.835 -7.406 1.00 0.25 C ATOM 267 CG PRO A 238 4.011 -1.956 -8.864 1.00 0.59 C ATOM 268 CD PRO A 238 5.389 -2.086 -9.477 1.00 0.43 C ATOM 0 HA PRO A 238 6.056 -2.312 -6.318 1.00 0.28 H new ATOM 0 HB2 PRO A 238 3.361 -2.192 -6.845 1.00 0.25 H new ATOM 0 HB3 PRO A 238 4.391 -0.799 -7.111 1.00 0.25 H new ATOM 0 HG2 PRO A 238 3.396 -2.825 -9.098 1.00 0.59 H new ATOM 0 HG3 PRO A 238 3.490 -1.082 -9.256 1.00 0.59 H new ATOM 0 HD2 PRO A 238 5.378 -2.732 -10.355 1.00 0.43 H new ATOM 0 HD3 PRO A 238 5.778 -1.119 -9.797 1.00 0.43 H new ATOM 276 N PHE A 239 5.254 -4.186 -5.451 1.00 0.24 N ATOM 277 CA PHE A 239 5.063 -5.430 -4.824 1.00 0.26 C ATOM 278 C PHE A 239 3.588 -5.582 -4.572 1.00 0.22 C ATOM 279 O PHE A 239 2.888 -4.585 -4.382 1.00 0.26 O ATOM 280 CB PHE A 239 5.833 -5.508 -3.510 1.00 0.38 C ATOM 281 CG PHE A 239 7.325 -5.714 -3.617 1.00 0.48 C ATOM 282 CD1 PHE A 239 7.873 -6.502 -4.608 1.00 0.56 C ATOM 283 CD2 PHE A 239 8.169 -5.158 -2.674 1.00 0.66 C ATOM 284 CE1 PHE A 239 9.238 -6.727 -4.657 1.00 0.71 C ATOM 285 CE2 PHE A 239 9.532 -5.370 -2.722 1.00 0.79 C ATOM 286 CZ PHE A 239 10.068 -6.158 -3.717 1.00 0.78 C ATOM 0 H PHE A 239 5.527 -3.431 -4.822 1.00 0.24 H new ATOM 0 HA PHE A 239 5.435 -6.232 -5.462 1.00 0.26 H new ATOM 0 HB2 PHE A 239 5.654 -4.588 -2.954 1.00 0.38 H new ATOM 0 HB3 PHE A 239 5.417 -6.323 -2.918 1.00 0.38 H new ATOM 0 HD1 PHE A 239 7.231 -6.948 -5.353 1.00 0.56 H new ATOM 0 HD2 PHE A 239 7.755 -4.547 -1.886 1.00 0.66 H new ATOM 0 HE1 PHE A 239 9.653 -7.351 -5.435 1.00 0.71 H new ATOM 0 HE2 PHE A 239 10.177 -4.919 -1.982 1.00 0.79 H new ATOM 0 HZ PHE A 239 11.134 -6.329 -3.760 1.00 0.78 H new ATOM 296 N TYR A 240 3.113 -6.800 -4.538 1.00 0.22 N ATOM 297 CA TYR A 240 1.767 -7.023 -4.151 1.00 0.21 C ATOM 298 C TYR A 240 1.864 -7.053 -2.667 1.00 0.19 C ATOM 299 O TYR A 240 2.957 -7.229 -2.156 1.00 0.23 O ATOM 300 CB TYR A 240 1.242 -8.360 -4.692 1.00 0.24 C ATOM 301 CG TYR A 240 0.368 -8.284 -5.933 1.00 0.36 C ATOM 302 CD1 TYR A 240 -0.269 -7.109 -6.314 1.00 0.43 C ATOM 303 CD2 TYR A 240 0.151 -9.418 -6.708 1.00 0.64 C ATOM 304 CE1 TYR A 240 -1.097 -7.069 -7.422 1.00 0.57 C ATOM 305 CE2 TYR A 240 -0.669 -9.383 -7.820 1.00 0.79 C ATOM 306 CZ TYR A 240 -1.290 -8.207 -8.172 1.00 0.69 C ATOM 307 OH TYR A 240 -2.112 -8.171 -9.277 1.00 0.88 O ATOM 0 H TYR A 240 3.643 -7.639 -4.774 1.00 0.22 H new ATOM 0 HA TYR A 240 1.077 -6.270 -4.533 1.00 0.21 H new ATOM 0 HB2 TYR A 240 2.097 -9.000 -4.913 1.00 0.24 H new ATOM 0 HB3 TYR A 240 0.673 -8.850 -3.902 1.00 0.24 H new ATOM 0 HD1 TYR A 240 -0.115 -6.211 -5.735 1.00 0.43 H new ATOM 0 HD2 TYR A 240 0.633 -10.345 -6.435 1.00 0.64 H new ATOM 0 HE1 TYR A 240 -1.590 -6.148 -7.697 1.00 0.57 H new ATOM 0 HE2 TYR A 240 -0.822 -10.275 -8.410 1.00 0.79 H new ATOM 0 HH TYR A 240 -2.138 -9.057 -9.694 1.00 0.88 H new ATOM 317 N ALA A 241 0.822 -6.794 -1.962 1.00 0.14 N ATOM 318 CA ALA A 241 0.910 -6.938 -0.550 1.00 0.15 C ATOM 319 C ALA A 241 -0.392 -7.385 0.042 1.00 0.11 C ATOM 320 O ALA A 241 -1.428 -6.809 -0.210 1.00 0.12 O ATOM 321 CB ALA A 241 1.410 -5.651 0.082 1.00 0.24 C ATOM 0 H ALA A 241 -0.081 -6.489 -2.325 1.00 0.14 H new ATOM 0 HA ALA A 241 1.635 -7.722 -0.331 1.00 0.15 H new ATOM 0 HB1 ALA A 241 1.472 -5.777 1.163 1.00 0.24 H new ATOM 0 HB2 ALA A 241 2.397 -5.411 -0.313 1.00 0.24 H new ATOM 0 HB3 ALA A 241 0.720 -4.840 -0.150 1.00 0.24 H new ATOM 327 N ARG A 242 -0.334 -8.399 0.855 1.00 0.10 N ATOM 328 CA ARG A 242 -1.530 -8.930 1.437 1.00 0.08 C ATOM 329 C ARG A 242 -1.969 -8.025 2.575 1.00 0.08 C ATOM 330 O ARG A 242 -1.349 -8.010 3.634 1.00 0.11 O ATOM 331 CB ARG A 242 -1.288 -10.323 1.981 1.00 0.10 C ATOM 332 CG ARG A 242 -2.509 -10.975 2.635 1.00 0.10 C ATOM 333 CD ARG A 242 -3.438 -11.612 1.619 1.00 0.11 C ATOM 334 NE ARG A 242 -2.719 -12.381 0.602 1.00 0.18 N ATOM 335 CZ ARG A 242 -3.214 -12.665 -0.603 1.00 0.35 C ATOM 336 NH1 ARG A 242 -4.445 -12.285 -0.922 1.00 0.51 N ATOM 337 NH2 ARG A 242 -2.485 -13.350 -1.478 1.00 0.43 N ATOM 0 H ARG A 242 0.526 -8.873 1.129 1.00 0.10 H new ATOM 0 HA ARG A 242 -2.302 -8.982 0.669 1.00 0.08 H new ATOM 0 HB2 ARG A 242 -0.944 -10.962 1.167 1.00 0.10 H new ATOM 0 HB3 ARG A 242 -0.482 -10.278 2.713 1.00 0.10 H new ATOM 0 HG2 ARG A 242 -2.177 -11.733 3.344 1.00 0.10 H new ATOM 0 HG3 ARG A 242 -3.057 -10.224 3.204 1.00 0.10 H new ATOM 0 HD2 ARG A 242 -4.140 -12.267 2.135 1.00 0.11 H new ATOM 0 HD3 ARG A 242 -4.026 -10.834 1.132 1.00 0.11 H new ATOM 0 HE ARG A 242 -1.784 -12.720 0.829 1.00 0.18 H new ATOM 0 HH11 ARG A 242 -5.013 -11.775 -0.245 1.00 0.51 H new ATOM 0 HH12 ARG A 242 -4.823 -12.503 -1.844 1.00 0.51 H new ATOM 0 HH21 ARG A 242 -1.546 -13.659 -1.228 1.00 0.43 H new ATOM 0 HH22 ARG A 242 -2.865 -13.567 -2.400 1.00 0.43 H new ATOM 351 N VAL A 243 -3.014 -7.263 2.359 1.00 0.07 N ATOM 352 CA VAL A 243 -3.532 -6.405 3.386 1.00 0.08 C ATOM 353 C VAL A 243 -4.038 -7.250 4.537 1.00 0.11 C ATOM 354 O VAL A 243 -4.617 -8.307 4.323 1.00 0.14 O ATOM 355 CB VAL A 243 -4.671 -5.502 2.858 1.00 0.10 C ATOM 356 CG1 VAL A 243 -5.654 -6.284 2.006 1.00 0.14 C ATOM 357 CG2 VAL A 243 -5.394 -4.863 4.018 1.00 0.18 C ATOM 0 H VAL A 243 -3.521 -7.223 1.475 1.00 0.07 H new ATOM 0 HA VAL A 243 -2.725 -5.755 3.724 1.00 0.08 H new ATOM 0 HB VAL A 243 -4.225 -4.730 2.231 1.00 0.10 H new ATOM 0 HG11 VAL A 243 -6.440 -5.617 1.653 1.00 0.14 H new ATOM 0 HG12 VAL A 243 -5.132 -6.715 1.151 1.00 0.14 H new ATOM 0 HG13 VAL A 243 -6.096 -7.083 2.601 1.00 0.14 H new ATOM 0 HG21 VAL A 243 -6.196 -4.228 3.642 1.00 0.18 H new ATOM 0 HG22 VAL A 243 -5.816 -5.640 4.656 1.00 0.18 H new ATOM 0 HG23 VAL A 243 -4.694 -4.260 4.595 1.00 0.18 H new ATOM 367 N ILE A 244 -3.798 -6.803 5.754 1.00 0.12 N ATOM 368 CA ILE A 244 -4.286 -7.538 6.910 1.00 0.16 C ATOM 369 C ILE A 244 -5.126 -6.671 7.796 1.00 0.13 C ATOM 370 O ILE A 244 -5.541 -7.110 8.858 1.00 0.17 O ATOM 371 CB ILE A 244 -3.191 -8.116 7.804 1.00 0.30 C ATOM 372 CG1 ILE A 244 -2.125 -7.056 8.051 1.00 0.43 C ATOM 373 CG2 ILE A 244 -2.637 -9.375 7.198 1.00 0.37 C ATOM 374 CD1 ILE A 244 -1.400 -7.187 9.366 1.00 0.61 C ATOM 0 H ILE A 244 -3.279 -5.952 5.969 1.00 0.12 H new ATOM 0 HA ILE A 244 -4.855 -8.355 6.468 1.00 0.16 H new ATOM 0 HB ILE A 244 -3.603 -8.394 8.774 1.00 0.30 H new ATOM 0 HG12 ILE A 244 -1.395 -7.099 7.243 1.00 0.43 H new ATOM 0 HG13 ILE A 244 -2.593 -6.072 8.006 1.00 0.43 H new ATOM 0 HG21 ILE A 244 -1.857 -9.777 7.845 1.00 0.37 H new ATOM 0 HG22 ILE A 244 -3.435 -10.110 7.092 1.00 0.37 H new ATOM 0 HG23 ILE A 244 -2.216 -9.152 6.218 1.00 0.37 H new ATOM 0 HD11 ILE A 244 -0.661 -6.391 9.455 1.00 0.61 H new ATOM 0 HD12 ILE A 244 -2.115 -7.111 10.185 1.00 0.61 H new ATOM 0 HD13 ILE A 244 -0.899 -8.154 9.410 1.00 0.61 H new ATOM 386 N GLN A 245 -5.320 -5.439 7.376 1.00 0.11 N ATOM 387 CA GLN A 245 -6.187 -4.500 8.073 1.00 0.12 C ATOM 388 C GLN A 245 -6.358 -3.267 7.230 1.00 0.11 C ATOM 389 O GLN A 245 -5.495 -2.401 7.163 1.00 0.12 O ATOM 390 CB GLN A 245 -5.661 -4.123 9.464 1.00 0.15 C ATOM 391 CG GLN A 245 -6.144 -5.042 10.566 1.00 0.21 C ATOM 392 CD GLN A 245 -6.047 -4.418 11.943 1.00 0.33 C ATOM 393 OE1 GLN A 245 -5.028 -4.531 12.622 1.00 1.05 O ATOM 394 NE2 GLN A 245 -7.109 -3.754 12.365 1.00 1.20 N ATOM 0 H GLN A 245 -4.881 -5.055 6.539 1.00 0.11 H new ATOM 0 HA GLN A 245 -7.148 -4.990 8.228 1.00 0.12 H new ATOM 0 HB2 GLN A 245 -4.571 -4.133 9.446 1.00 0.15 H new ATOM 0 HB3 GLN A 245 -5.966 -3.102 9.694 1.00 0.15 H new ATOM 0 HG2 GLN A 245 -7.180 -5.320 10.371 1.00 0.21 H new ATOM 0 HG3 GLN A 245 -5.558 -5.961 10.548 1.00 0.21 H new ATOM 0 HE21 GLN A 245 -7.935 -3.683 11.771 1.00 1.20 H new ATOM 0 HE22 GLN A 245 -7.102 -3.312 13.284 1.00 1.20 H new ATOM 403 N LYS A 246 -7.446 -3.246 6.523 1.00 0.12 N ATOM 404 CA LYS A 246 -7.817 -2.111 5.728 1.00 0.12 C ATOM 405 C LYS A 246 -9.300 -1.889 5.931 1.00 0.15 C ATOM 406 O LYS A 246 -9.993 -2.773 6.444 1.00 0.19 O ATOM 407 CB LYS A 246 -7.441 -2.406 4.283 1.00 0.12 C ATOM 408 CG LYS A 246 -7.096 -1.214 3.377 1.00 0.13 C ATOM 409 CD LYS A 246 -5.711 -1.388 2.781 1.00 0.14 C ATOM 410 CE LYS A 246 -4.655 -0.880 3.706 1.00 0.16 C ATOM 411 NZ LYS A 246 -3.303 -0.994 3.095 1.00 0.21 N ATOM 0 H LYS A 246 -8.108 -4.021 6.480 1.00 0.12 H new ATOM 0 HA LYS A 246 -7.299 -1.195 6.013 1.00 0.12 H new ATOM 0 HB2 LYS A 246 -6.585 -3.080 4.290 1.00 0.12 H new ATOM 0 HB3 LYS A 246 -8.269 -2.947 3.825 1.00 0.12 H new ATOM 0 HG2 LYS A 246 -7.834 -1.129 2.580 1.00 0.13 H new ATOM 0 HG3 LYS A 246 -7.139 -0.288 3.951 1.00 0.13 H new ATOM 0 HD2 LYS A 246 -5.534 -2.442 2.568 1.00 0.14 H new ATOM 0 HD3 LYS A 246 -5.652 -0.856 1.831 1.00 0.14 H new ATOM 0 HE2 LYS A 246 -4.857 0.162 3.956 1.00 0.16 H new ATOM 0 HE3 LYS A 246 -4.684 -1.443 4.639 1.00 0.16 H new ATOM 0 HZ1 LYS A 246 -2.582 -0.730 3.796 1.00 0.21 H new ATOM 0 HZ2 LYS A 246 -3.143 -1.974 2.787 1.00 0.21 H new ATOM 0 HZ3 LYS A 246 -3.238 -0.358 2.275 1.00 0.21 H new ATOM 425 N ARG A 247 -9.781 -0.739 5.564 1.00 0.16 N ATOM 426 CA ARG A 247 -11.172 -0.429 5.704 1.00 0.16 C ATOM 427 C ARG A 247 -11.805 -0.627 4.352 1.00 0.14 C ATOM 428 O ARG A 247 -11.084 -0.833 3.380 1.00 0.14 O ATOM 429 CB ARG A 247 -11.335 1.015 6.185 1.00 0.17 C ATOM 430 CG ARG A 247 -10.984 2.056 5.133 1.00 0.18 C ATOM 431 CD ARG A 247 -10.924 3.470 5.700 1.00 0.23 C ATOM 432 NE ARG A 247 -12.189 4.193 5.513 1.00 0.49 N ATOM 433 CZ ARG A 247 -13.221 4.163 6.355 1.00 0.63 C ATOM 434 NH1 ARG A 247 -13.168 3.439 7.466 1.00 1.63 N ATOM 435 NH2 ARG A 247 -14.311 4.863 6.076 1.00 0.63 N ATOM 0 H ARG A 247 -9.220 0.011 5.159 1.00 0.16 H new ATOM 0 HA ARG A 247 -11.653 -1.073 6.441 1.00 0.16 H new ATOM 0 HB2 ARG A 247 -12.366 1.168 6.504 1.00 0.17 H new ATOM 0 HB3 ARG A 247 -10.704 1.170 7.060 1.00 0.17 H new ATOM 0 HG2 ARG A 247 -10.021 1.806 4.688 1.00 0.18 H new ATOM 0 HG3 ARG A 247 -11.723 2.021 4.333 1.00 0.18 H new ATOM 0 HD2 ARG A 247 -10.686 3.424 6.763 1.00 0.23 H new ATOM 0 HD3 ARG A 247 -10.117 4.020 5.216 1.00 0.23 H new ATOM 0 HE ARG A 247 -12.285 4.763 4.672 1.00 0.49 H new ATOM 0 HH11 ARG A 247 -12.331 2.898 7.683 1.00 1.63 H new ATOM 0 HH12 ARG A 247 -13.964 3.424 8.103 1.00 1.63 H new ATOM 0 HH21 ARG A 247 -14.355 5.419 5.222 1.00 0.63 H new ATOM 0 HH22 ARG A 247 -15.106 4.846 6.715 1.00 0.63 H new ATOM 449 N VAL A 248 -13.118 -0.647 4.269 1.00 0.15 N ATOM 450 CA VAL A 248 -13.742 -0.500 2.986 1.00 0.15 C ATOM 451 C VAL A 248 -14.128 0.959 2.794 1.00 0.14 C ATOM 452 O VAL A 248 -15.180 1.416 3.243 1.00 0.16 O ATOM 453 CB VAL A 248 -14.949 -1.437 2.790 1.00 0.19 C ATOM 454 CG1 VAL A 248 -15.835 -0.942 1.664 1.00 0.21 C ATOM 455 CG2 VAL A 248 -14.462 -2.841 2.479 1.00 0.21 C ATOM 0 H VAL A 248 -13.755 -0.761 5.057 1.00 0.15 H new ATOM 0 HA VAL A 248 -13.024 -0.796 2.221 1.00 0.15 H new ATOM 0 HB VAL A 248 -15.532 -1.448 3.711 1.00 0.19 H new ATOM 0 HG11 VAL A 248 -16.681 -1.618 1.543 1.00 0.21 H new ATOM 0 HG12 VAL A 248 -16.200 0.057 1.901 1.00 0.21 H new ATOM 0 HG13 VAL A 248 -15.262 -0.909 0.738 1.00 0.21 H new ATOM 0 HG21 VAL A 248 -15.318 -3.501 2.341 1.00 0.21 H new ATOM 0 HG22 VAL A 248 -13.865 -2.825 1.567 1.00 0.21 H new ATOM 0 HG23 VAL A 248 -13.852 -3.206 3.305 1.00 0.21 H new ATOM 465 N PRO A 249 -13.217 1.730 2.200 1.00 0.13 N ATOM 466 CA PRO A 249 -13.441 3.081 1.825 1.00 0.15 C ATOM 467 C PRO A 249 -13.808 3.152 0.357 1.00 0.16 C ATOM 468 O PRO A 249 -14.497 2.280 -0.177 1.00 0.17 O ATOM 469 CB PRO A 249 -12.061 3.724 2.074 1.00 0.16 C ATOM 470 CG PRO A 249 -11.072 2.593 2.058 1.00 0.14 C ATOM 471 CD PRO A 249 -11.863 1.350 1.843 1.00 0.13 C ATOM 0 HA PRO A 249 -14.251 3.569 2.368 1.00 0.15 H new ATOM 0 HB2 PRO A 249 -11.827 4.458 1.303 1.00 0.16 H new ATOM 0 HB3 PRO A 249 -12.041 4.248 3.030 1.00 0.16 H new ATOM 0 HG2 PRO A 249 -10.338 2.729 1.264 1.00 0.14 H new ATOM 0 HG3 PRO A 249 -10.520 2.545 2.997 1.00 0.14 H new ATOM 0 HD2 PRO A 249 -11.803 1.012 0.808 1.00 0.13 H new ATOM 0 HD3 PRO A 249 -11.500 0.533 2.467 1.00 0.13 H new ATOM 479 N ASN A 250 -13.342 4.194 -0.271 1.00 0.17 N ATOM 480 CA ASN A 250 -13.381 4.332 -1.703 1.00 0.20 C ATOM 481 C ASN A 250 -12.443 5.451 -2.079 1.00 0.21 C ATOM 482 O ASN A 250 -11.784 6.032 -1.215 1.00 0.19 O ATOM 483 CB ASN A 250 -14.794 4.618 -2.233 1.00 0.24 C ATOM 484 CG ASN A 250 -15.511 5.706 -1.454 1.00 0.69 C ATOM 485 OD1 ASN A 250 -14.889 6.630 -0.947 1.00 1.18 O ATOM 486 ND2 ASN A 250 -16.826 5.600 -1.350 1.00 1.28 N ATOM 0 H ASN A 250 -12.915 4.988 0.206 1.00 0.17 H new ATOM 0 HA ASN A 250 -13.074 3.389 -2.157 1.00 0.20 H new ATOM 0 HB2 ASN A 250 -14.731 4.911 -3.281 1.00 0.24 H new ATOM 0 HB3 ASN A 250 -15.383 3.702 -2.193 1.00 0.24 H new ATOM 0 HD21 ASN A 250 -17.355 6.303 -0.834 1.00 1.28 H new ATOM 0 HD22 ASN A 250 -17.310 4.816 -1.786 1.00 1.28 H new ATOM 493 N ALA A 251 -12.379 5.764 -3.348 1.00 0.26 N ATOM 494 CA ALA A 251 -11.519 6.830 -3.802 1.00 0.31 C ATOM 495 C ALA A 251 -12.081 8.194 -3.424 1.00 0.37 C ATOM 496 O ALA A 251 -11.416 9.217 -3.561 1.00 0.42 O ATOM 497 CB ALA A 251 -11.305 6.724 -5.298 1.00 0.39 C ATOM 0 H ALA A 251 -12.910 5.298 -4.084 1.00 0.26 H new ATOM 0 HA ALA A 251 -10.554 6.728 -3.305 1.00 0.31 H new ATOM 0 HB1 ALA A 251 -10.655 7.533 -5.631 1.00 0.39 H new ATOM 0 HB2 ALA A 251 -10.841 5.766 -5.532 1.00 0.39 H new ATOM 0 HB3 ALA A 251 -12.265 6.797 -5.809 1.00 0.39 H new ATOM 503 N TYR A 252 -13.312 8.204 -2.958 1.00 0.39 N ATOM 504 CA TYR A 252 -13.942 9.420 -2.486 1.00 0.47 C ATOM 505 C TYR A 252 -13.471 9.714 -1.075 1.00 0.46 C ATOM 506 O TYR A 252 -13.396 10.863 -0.640 1.00 0.56 O ATOM 507 CB TYR A 252 -15.452 9.243 -2.497 1.00 0.57 C ATOM 508 CG TYR A 252 -16.004 8.846 -3.845 1.00 0.95 C ATOM 509 CD1 TYR A 252 -15.319 9.141 -5.020 1.00 1.30 C ATOM 510 CD2 TYR A 252 -17.211 8.180 -3.940 1.00 1.27 C ATOM 511 CE1 TYR A 252 -15.828 8.777 -6.251 1.00 1.80 C ATOM 512 CE2 TYR A 252 -17.728 7.810 -5.166 1.00 1.76 C ATOM 513 CZ TYR A 252 -17.033 8.112 -6.319 1.00 1.98 C ATOM 514 OH TYR A 252 -17.545 7.749 -7.542 1.00 2.53 O ATOM 0 H TYR A 252 -13.902 7.374 -2.896 1.00 0.39 H new ATOM 0 HA TYR A 252 -13.672 10.251 -3.138 1.00 0.47 H new ATOM 0 HB2 TYR A 252 -15.726 8.484 -1.764 1.00 0.57 H new ATOM 0 HB3 TYR A 252 -15.921 10.175 -2.182 1.00 0.57 H new ATOM 0 HD1 TYR A 252 -14.375 9.663 -4.968 1.00 1.30 H new ATOM 0 HD2 TYR A 252 -17.760 7.945 -3.040 1.00 1.27 H new ATOM 0 HE1 TYR A 252 -15.285 9.012 -7.155 1.00 1.80 H new ATOM 0 HE2 TYR A 252 -18.671 7.287 -5.222 1.00 1.76 H new ATOM 0 HH TYR A 252 -18.400 7.288 -7.415 1.00 2.53 H new ATOM 524 N ASP A 253 -13.127 8.642 -0.391 1.00 0.40 N ATOM 525 CA ASP A 253 -12.719 8.668 0.978 1.00 0.43 C ATOM 526 C ASP A 253 -11.249 8.891 1.047 1.00 0.38 C ATOM 527 O ASP A 253 -10.499 7.923 1.183 1.00 0.34 O ATOM 528 CB ASP A 253 -12.954 7.302 1.567 1.00 0.44 C ATOM 529 CG ASP A 253 -13.651 7.314 2.916 1.00 0.56 C ATOM 530 OD1 ASP A 253 -14.576 8.128 3.110 1.00 0.80 O ATOM 531 OD2 ASP A 253 -13.259 6.519 3.804 1.00 0.88 O ATOM 0 H ASP A 253 -13.127 7.705 -0.795 1.00 0.40 H new ATOM 0 HA ASP A 253 -13.269 9.449 1.503 1.00 0.43 H new ATOM 0 HB2 ASP A 253 -13.551 6.716 0.868 1.00 0.44 H new ATOM 0 HB3 ASP A 253 -11.995 6.794 1.671 1.00 0.44 H new ATOM 536 N LYS A 254 -10.822 10.133 0.929 1.00 0.43 N ATOM 537 CA LYS A 254 -9.418 10.464 1.100 1.00 0.41 C ATOM 538 C LYS A 254 -8.573 9.858 -0.006 1.00 0.31 C ATOM 539 O LYS A 254 -7.374 10.074 -0.059 1.00 0.28 O ATOM 540 CB LYS A 254 -8.961 9.892 2.434 1.00 0.45 C ATOM 541 CG LYS A 254 -9.871 10.273 3.569 1.00 0.60 C ATOM 542 CD LYS A 254 -9.745 9.297 4.725 1.00 0.74 C ATOM 543 CE LYS A 254 -10.727 8.149 4.550 1.00 0.79 C ATOM 544 NZ LYS A 254 -12.029 8.437 5.205 1.00 1.32 N ATOM 0 H LYS A 254 -11.424 10.929 0.716 1.00 0.43 H new ATOM 0 HA LYS A 254 -9.300 11.547 1.067 1.00 0.41 H new ATOM 0 HB2 LYS A 254 -8.912 8.806 2.362 1.00 0.45 H new ATOM 0 HB3 LYS A 254 -7.952 10.243 2.649 1.00 0.45 H new ATOM 0 HG2 LYS A 254 -9.628 11.279 3.911 1.00 0.60 H new ATOM 0 HG3 LYS A 254 -10.903 10.295 3.219 1.00 0.60 H new ATOM 0 HD2 LYS A 254 -8.727 8.910 4.775 1.00 0.74 H new ATOM 0 HD3 LYS A 254 -9.938 9.810 5.667 1.00 0.74 H new ATOM 0 HE2 LYS A 254 -10.887 7.965 3.488 1.00 0.79 H new ATOM 0 HE3 LYS A 254 -10.301 7.238 4.971 1.00 0.79 H new ATOM 0 HZ1 LYS A 254 -12.668 7.626 5.080 1.00 1.32 H new ATOM 0 HZ2 LYS A 254 -11.877 8.605 6.220 1.00 1.32 H new ATOM 0 HZ3 LYS A 254 -12.455 9.282 4.774 1.00 1.32 H new ATOM 558 N THR A 255 -9.249 9.118 -0.871 1.00 0.28 N ATOM 559 CA THR A 255 -8.659 8.145 -1.766 1.00 0.22 C ATOM 560 C THR A 255 -8.040 7.060 -0.920 1.00 0.15 C ATOM 561 O THR A 255 -6.893 7.154 -0.482 1.00 0.14 O ATOM 562 CB THR A 255 -7.656 8.689 -2.834 1.00 0.27 C ATOM 563 OG1 THR A 255 -6.536 9.360 -2.249 1.00 0.41 O ATOM 564 CG2 THR A 255 -8.358 9.628 -3.796 1.00 0.55 C ATOM 0 H THR A 255 -10.262 9.184 -0.970 1.00 0.28 H new ATOM 0 HA THR A 255 -9.469 7.767 -2.389 1.00 0.22 H new ATOM 0 HB THR A 255 -7.278 7.820 -3.372 1.00 0.27 H new ATOM 0 HG1 THR A 255 -6.559 9.247 -1.276 1.00 0.41 H new ATOM 0 HG21 THR A 255 -7.643 9.996 -4.532 1.00 0.55 H new ATOM 0 HG22 THR A 255 -9.160 9.094 -4.305 1.00 0.55 H new ATOM 0 HG23 THR A 255 -8.776 10.470 -3.243 1.00 0.55 H new ATOM 572 N ALA A 256 -8.893 6.124 -0.544 1.00 0.13 N ATOM 573 CA ALA A 256 -8.492 4.978 0.231 1.00 0.11 C ATOM 574 C ALA A 256 -8.852 3.661 -0.436 1.00 0.10 C ATOM 575 O ALA A 256 -9.673 3.594 -1.350 1.00 0.12 O ATOM 576 CB ALA A 256 -9.067 5.085 1.627 1.00 0.13 C ATOM 0 H ALA A 256 -9.887 6.143 -0.772 1.00 0.13 H new ATOM 0 HA ALA A 256 -7.404 4.978 0.297 1.00 0.11 H new ATOM 0 HB1 ALA A 256 -8.763 4.218 2.213 1.00 0.13 H new ATOM 0 HB2 ALA A 256 -8.698 5.993 2.104 1.00 0.13 H new ATOM 0 HB3 ALA A 256 -10.155 5.122 1.571 1.00 0.13 H new ATOM 582 N LEU A 257 -8.239 2.619 0.087 1.00 0.10 N ATOM 583 CA LEU A 257 -8.262 1.288 -0.497 1.00 0.09 C ATOM 584 C LEU A 257 -9.392 0.442 0.021 1.00 0.09 C ATOM 585 O LEU A 257 -9.400 0.086 1.196 1.00 0.11 O ATOM 586 CB LEU A 257 -6.970 0.581 -0.132 1.00 0.11 C ATOM 587 CG LEU A 257 -5.750 0.959 -0.902 1.00 0.19 C ATOM 588 CD1 LEU A 257 -6.116 1.327 -2.307 1.00 0.27 C ATOM 589 CD2 LEU A 257 -5.011 2.085 -0.227 1.00 0.21 C ATOM 0 H LEU A 257 -7.698 2.672 0.950 1.00 0.10 H new ATOM 0 HA LEU A 257 -8.388 1.411 -1.573 1.00 0.09 H new ATOM 0 HB2 LEU A 257 -6.773 0.761 0.925 1.00 0.11 H new ATOM 0 HB3 LEU A 257 -7.126 -0.491 -0.249 1.00 0.11 H new ATOM 0 HG LEU A 257 -5.084 0.097 -0.933 1.00 0.19 H new ATOM 0 HD11 LEU A 257 -5.216 1.601 -2.858 1.00 0.27 H new ATOM 0 HD12 LEU A 257 -6.594 0.477 -2.793 1.00 0.27 H new ATOM 0 HD13 LEU A 257 -6.805 2.172 -2.294 1.00 0.27 H new ATOM 0 HD21 LEU A 257 -4.126 2.340 -0.810 1.00 0.21 H new ATOM 0 HD22 LEU A 257 -5.662 2.956 -0.156 1.00 0.21 H new ATOM 0 HD23 LEU A 257 -4.710 1.774 0.773 1.00 0.21 H new ATOM 601 N ALA A 258 -10.307 0.056 -0.855 1.00 0.10 N ATOM 602 CA ALA A 258 -11.409 -0.782 -0.429 1.00 0.11 C ATOM 603 C ALA A 258 -11.033 -2.222 -0.488 1.00 0.11 C ATOM 604 O ALA A 258 -11.143 -2.880 -1.520 1.00 0.14 O ATOM 605 CB ALA A 258 -12.626 -0.541 -1.266 1.00 0.14 C ATOM 0 H ALA A 258 -10.308 0.305 -1.844 1.00 0.10 H new ATOM 0 HA ALA A 258 -11.640 -0.519 0.603 1.00 0.11 H new ATOM 0 HB1 ALA A 258 -13.437 -1.184 -0.923 1.00 0.14 H new ATOM 0 HB2 ALA A 258 -12.928 0.503 -1.177 1.00 0.14 H new ATOM 0 HB3 ALA A 258 -12.401 -0.766 -2.309 1.00 0.14 H new ATOM 611 N LEU A 259 -10.592 -2.706 0.635 1.00 0.10 N ATOM 612 CA LEU A 259 -10.236 -4.090 0.754 1.00 0.12 C ATOM 613 C LEU A 259 -10.314 -4.545 2.193 1.00 0.12 C ATOM 614 O LEU A 259 -10.443 -3.734 3.108 1.00 0.12 O ATOM 615 CB LEU A 259 -8.844 -4.340 0.195 1.00 0.14 C ATOM 616 CG LEU A 259 -8.001 -3.084 0.034 1.00 0.11 C ATOM 617 CD1 LEU A 259 -6.604 -3.320 0.537 1.00 0.49 C ATOM 618 CD2 LEU A 259 -7.968 -2.653 -1.408 1.00 0.55 C ATOM 0 H LEU A 259 -10.469 -2.159 1.487 1.00 0.10 H new ATOM 0 HA LEU A 259 -10.951 -4.671 0.171 1.00 0.12 H new ATOM 0 HB2 LEU A 259 -8.320 -5.034 0.852 1.00 0.14 H new ATOM 0 HB3 LEU A 259 -8.937 -4.828 -0.775 1.00 0.14 H new ATOM 0 HG LEU A 259 -8.455 -2.288 0.625 1.00 0.11 H new ATOM 0 HD11 LEU A 259 -6.015 -2.411 0.414 1.00 0.49 H new ATOM 0 HD12 LEU A 259 -6.638 -3.591 1.592 1.00 0.49 H new ATOM 0 HD13 LEU A 259 -6.145 -4.130 -0.030 1.00 0.49 H new ATOM 0 HD21 LEU A 259 -7.361 -1.753 -1.505 1.00 0.55 H new ATOM 0 HD22 LEU A 259 -7.537 -3.449 -2.016 1.00 0.55 H new ATOM 0 HD23 LEU A 259 -8.982 -2.445 -1.749 1.00 0.55 H new ATOM 630 N GLU A 260 -10.223 -5.842 2.388 1.00 0.15 N ATOM 631 CA GLU A 260 -10.378 -6.418 3.706 1.00 0.16 C ATOM 632 C GLU A 260 -9.064 -7.015 4.171 1.00 0.15 C ATOM 633 O GLU A 260 -8.116 -7.144 3.409 1.00 0.16 O ATOM 634 CB GLU A 260 -11.492 -7.480 3.678 1.00 0.21 C ATOM 635 CG GLU A 260 -11.465 -8.483 4.823 1.00 0.23 C ATOM 636 CD GLU A 260 -12.833 -8.730 5.412 1.00 0.47 C ATOM 637 OE1 GLU A 260 -13.314 -7.878 6.185 1.00 0.75 O ATOM 638 OE2 GLU A 260 -13.434 -9.785 5.107 1.00 0.92 O ATOM 0 H GLU A 260 -10.042 -6.520 1.648 1.00 0.15 H new ATOM 0 HA GLU A 260 -10.662 -5.639 4.414 1.00 0.16 H new ATOM 0 HB2 GLU A 260 -12.456 -6.971 3.685 1.00 0.21 H new ATOM 0 HB3 GLU A 260 -11.427 -8.026 2.737 1.00 0.21 H new ATOM 0 HG2 GLU A 260 -11.052 -9.426 4.465 1.00 0.23 H new ATOM 0 HG3 GLU A 260 -10.798 -8.119 5.604 1.00 0.23 H new ATOM 645 N VAL A 261 -8.995 -7.306 5.438 1.00 0.16 N ATOM 646 CA VAL A 261 -7.961 -8.145 5.976 1.00 0.16 C ATOM 647 C VAL A 261 -7.877 -9.468 5.214 1.00 0.17 C ATOM 648 O VAL A 261 -8.871 -10.185 5.099 1.00 0.21 O ATOM 649 CB VAL A 261 -8.290 -8.450 7.431 1.00 0.19 C ATOM 650 CG1 VAL A 261 -7.273 -9.409 8.032 1.00 0.21 C ATOM 651 CG2 VAL A 261 -8.385 -7.152 8.191 1.00 0.18 C ATOM 0 H VAL A 261 -9.659 -6.966 6.133 1.00 0.16 H new ATOM 0 HA VAL A 261 -7.008 -7.624 5.887 1.00 0.16 H new ATOM 0 HB VAL A 261 -9.253 -8.956 7.497 1.00 0.19 H new ATOM 0 HG11 VAL A 261 -7.532 -9.610 9.072 1.00 0.21 H new ATOM 0 HG12 VAL A 261 -7.277 -10.343 7.470 1.00 0.21 H new ATOM 0 HG13 VAL A 261 -6.280 -8.962 7.985 1.00 0.21 H new ATOM 0 HG21 VAL A 261 -8.620 -7.358 9.235 1.00 0.18 H new ATOM 0 HG22 VAL A 261 -7.433 -6.625 8.131 1.00 0.18 H new ATOM 0 HG23 VAL A 261 -9.170 -6.533 7.757 1.00 0.18 H new ATOM 661 N GLY A 262 -6.706 -9.793 4.695 1.00 0.17 N ATOM 662 CA GLY A 262 -6.540 -11.048 4.015 1.00 0.18 C ATOM 663 C GLY A 262 -6.642 -10.898 2.525 1.00 0.17 C ATOM 664 O GLY A 262 -6.472 -11.854 1.766 1.00 0.19 O ATOM 0 H GLY A 262 -5.871 -9.208 4.734 1.00 0.17 H new ATOM 0 HA2 GLY A 262 -5.570 -11.473 4.271 1.00 0.18 H new ATOM 0 HA3 GLY A 262 -7.298 -11.751 4.361 1.00 0.18 H new ATOM 668 N GLU A 263 -6.937 -9.691 2.114 1.00 0.16 N ATOM 669 CA GLU A 263 -7.012 -9.341 0.726 1.00 0.17 C ATOM 670 C GLU A 263 -5.659 -8.850 0.290 1.00 0.13 C ATOM 671 O GLU A 263 -4.680 -9.092 0.981 1.00 0.11 O ATOM 672 CB GLU A 263 -8.083 -8.286 0.648 1.00 0.18 C ATOM 673 CG GLU A 263 -9.322 -8.782 1.362 1.00 0.21 C ATOM 674 CD GLU A 263 -10.218 -9.628 0.490 1.00 0.51 C ATOM 675 OE1 GLU A 263 -10.900 -9.064 -0.387 1.00 0.84 O ATOM 676 OE2 GLU A 263 -10.251 -10.862 0.675 1.00 0.75 O ATOM 0 H GLU A 263 -7.134 -8.915 2.747 1.00 0.16 H new ATOM 0 HA GLU A 263 -7.266 -10.169 0.064 1.00 0.17 H new ATOM 0 HB2 GLU A 263 -7.732 -7.360 1.104 1.00 0.18 H new ATOM 0 HB3 GLU A 263 -8.314 -8.061 -0.393 1.00 0.18 H new ATOM 0 HG2 GLU A 263 -9.022 -9.363 2.234 1.00 0.21 H new ATOM 0 HG3 GLU A 263 -9.888 -7.926 1.729 1.00 0.21 H new ATOM 683 N LEU A 264 -5.562 -8.185 -0.823 1.00 0.17 N ATOM 684 CA LEU A 264 -4.273 -7.662 -1.191 1.00 0.18 C ATOM 685 C LEU A 264 -4.365 -6.306 -1.841 1.00 0.17 C ATOM 686 O LEU A 264 -5.362 -5.931 -2.456 1.00 0.31 O ATOM 687 CB LEU A 264 -3.462 -8.708 -1.964 1.00 0.48 C ATOM 688 CG LEU A 264 -3.003 -8.485 -3.417 1.00 0.31 C ATOM 689 CD1 LEU A 264 -2.123 -7.274 -3.602 1.00 0.36 C ATOM 690 CD2 LEU A 264 -2.176 -9.673 -3.797 1.00 0.83 C ATOM 0 H LEU A 264 -6.325 -7.995 -1.472 1.00 0.17 H new ATOM 0 HA LEU A 264 -3.702 -7.467 -0.283 1.00 0.18 H new ATOM 0 HB2 LEU A 264 -2.563 -8.902 -1.378 1.00 0.48 H new ATOM 0 HB3 LEU A 264 -4.050 -9.626 -1.959 1.00 0.48 H new ATOM 0 HG LEU A 264 -3.898 -8.340 -4.022 1.00 0.31 H new ATOM 0 HD11 LEU A 264 -1.842 -7.185 -4.651 1.00 0.36 H new ATOM 0 HD12 LEU A 264 -2.665 -6.380 -3.295 1.00 0.36 H new ATOM 0 HD13 LEU A 264 -1.225 -7.380 -2.994 1.00 0.36 H new ATOM 0 HD21 LEU A 264 -1.827 -9.560 -4.823 1.00 0.83 H new ATOM 0 HD22 LEU A 264 -1.319 -9.749 -3.128 1.00 0.83 H new ATOM 0 HD23 LEU A 264 -2.780 -10.577 -3.717 1.00 0.83 H new ATOM 702 N VAL A 265 -3.287 -5.597 -1.658 1.00 0.19 N ATOM 703 CA VAL A 265 -3.136 -4.237 -2.036 1.00 0.19 C ATOM 704 C VAL A 265 -1.753 -4.084 -2.683 1.00 0.24 C ATOM 705 O VAL A 265 -0.795 -4.686 -2.225 1.00 0.47 O ATOM 706 CB VAL A 265 -3.251 -3.414 -0.742 1.00 0.16 C ATOM 707 CG1 VAL A 265 -2.021 -3.590 0.085 1.00 0.25 C ATOM 708 CG2 VAL A 265 -3.463 -1.958 -0.938 1.00 0.27 C ATOM 0 H VAL A 265 -2.451 -5.981 -1.217 1.00 0.19 H new ATOM 0 HA VAL A 265 -3.887 -3.900 -2.751 1.00 0.19 H new ATOM 0 HB VAL A 265 -4.142 -3.800 -0.248 1.00 0.16 H new ATOM 0 HG11 VAL A 265 -2.111 -3.004 1.000 1.00 0.25 H new ATOM 0 HG12 VAL A 265 -1.901 -4.643 0.339 1.00 0.25 H new ATOM 0 HG13 VAL A 265 -1.152 -3.252 -0.479 1.00 0.25 H new ATOM 0 HG21 VAL A 265 -3.531 -1.466 0.032 1.00 0.27 H new ATOM 0 HG22 VAL A 265 -2.626 -1.541 -1.498 1.00 0.27 H new ATOM 0 HG23 VAL A 265 -4.388 -1.796 -1.492 1.00 0.27 H new ATOM 718 N LYS A 266 -1.630 -3.327 -3.745 1.00 0.14 N ATOM 719 CA LYS A 266 -0.352 -3.262 -4.443 1.00 0.15 C ATOM 720 C LYS A 266 0.232 -1.880 -4.394 1.00 0.32 C ATOM 721 O LYS A 266 -0.277 -0.971 -5.019 1.00 0.74 O ATOM 722 CB LYS A 266 -0.464 -3.670 -5.906 1.00 0.26 C ATOM 723 CG LYS A 266 0.923 -3.817 -6.523 1.00 0.42 C ATOM 724 CD LYS A 266 1.024 -3.453 -7.999 1.00 0.57 C ATOM 725 CE LYS A 266 -0.160 -3.943 -8.816 1.00 0.96 C ATOM 726 NZ LYS A 266 0.134 -3.928 -10.273 1.00 1.84 N ATOM 0 H LYS A 266 -2.375 -2.756 -4.145 1.00 0.14 H new ATOM 0 HA LYS A 266 0.298 -3.966 -3.923 1.00 0.15 H new ATOM 0 HB2 LYS A 266 -1.007 -4.612 -5.987 1.00 0.26 H new ATOM 0 HB3 LYS A 266 -1.037 -2.923 -6.456 1.00 0.26 H new ATOM 0 HG2 LYS A 266 1.619 -3.192 -5.964 1.00 0.42 H new ATOM 0 HG3 LYS A 266 1.250 -4.849 -6.398 1.00 0.42 H new ATOM 0 HD2 LYS A 266 1.101 -2.370 -8.096 1.00 0.57 H new ATOM 0 HD3 LYS A 266 1.941 -3.876 -8.409 1.00 0.57 H new ATOM 0 HE2 LYS A 266 -0.421 -4.955 -8.508 1.00 0.96 H new ATOM 0 HE3 LYS A 266 -1.027 -3.315 -8.613 1.00 0.96 H new ATOM 0 HZ1 LYS A 266 -0.696 -4.269 -10.798 1.00 1.84 H new ATOM 0 HZ2 LYS A 266 0.359 -2.958 -10.572 1.00 1.84 H new ATOM 0 HZ3 LYS A 266 0.946 -4.547 -10.470 1.00 1.84 H new ATOM 740 N VAL A 267 1.346 -1.720 -3.731 1.00 0.14 N ATOM 741 CA VAL A 267 1.822 -0.393 -3.524 1.00 0.16 C ATOM 742 C VAL A 267 2.758 0.001 -4.653 1.00 0.20 C ATOM 743 O VAL A 267 3.850 -0.552 -4.844 1.00 0.23 O ATOM 744 CB VAL A 267 2.419 -0.178 -2.128 1.00 0.20 C ATOM 745 CG1 VAL A 267 3.678 -0.988 -1.913 1.00 0.31 C ATOM 746 CG2 VAL A 267 2.637 1.299 -1.900 1.00 0.22 C ATOM 0 H VAL A 267 1.919 -2.468 -3.340 1.00 0.14 H new ATOM 0 HA VAL A 267 0.968 0.283 -3.552 1.00 0.16 H new ATOM 0 HB VAL A 267 1.711 -0.542 -1.384 1.00 0.20 H new ATOM 0 HG11 VAL A 267 4.063 -0.802 -0.910 1.00 0.31 H new ATOM 0 HG12 VAL A 267 3.452 -2.048 -2.024 1.00 0.31 H new ATOM 0 HG13 VAL A 267 4.427 -0.698 -2.649 1.00 0.31 H new ATOM 0 HG21 VAL A 267 3.061 1.455 -0.908 1.00 0.22 H new ATOM 0 HG22 VAL A 267 3.323 1.686 -2.653 1.00 0.22 H new ATOM 0 HG23 VAL A 267 1.684 1.823 -1.974 1.00 0.22 H new ATOM 756 N THR A 268 2.246 0.954 -5.402 1.00 0.21 N ATOM 757 CA THR A 268 2.739 1.349 -6.690 1.00 0.24 C ATOM 758 C THR A 268 3.077 2.836 -6.718 1.00 0.24 C ATOM 759 O THR A 268 3.748 3.317 -7.626 1.00 0.35 O ATOM 760 CB THR A 268 1.623 1.094 -7.722 1.00 0.26 C ATOM 761 OG1 THR A 268 2.000 1.589 -9.014 1.00 0.31 O ATOM 762 CG2 THR A 268 0.323 1.763 -7.255 1.00 0.24 C ATOM 0 H THR A 268 1.434 1.497 -5.108 1.00 0.21 H new ATOM 0 HA THR A 268 3.641 0.780 -6.914 1.00 0.24 H new ATOM 0 HB THR A 268 1.464 0.019 -7.805 1.00 0.26 H new ATOM 0 HG1 THR A 268 1.278 1.416 -9.654 1.00 0.31 H new ATOM 0 HG21 THR A 268 -0.464 1.580 -7.987 1.00 0.24 H new ATOM 0 HG22 THR A 268 0.026 1.348 -6.292 1.00 0.24 H new ATOM 0 HG23 THR A 268 0.482 2.837 -7.154 1.00 0.24 H new ATOM 770 N LYS A 269 2.592 3.568 -5.732 1.00 0.20 N ATOM 771 CA LYS A 269 2.677 5.007 -5.757 1.00 0.23 C ATOM 772 C LYS A 269 3.609 5.467 -4.664 1.00 0.28 C ATOM 773 O LYS A 269 3.221 5.551 -3.513 1.00 0.45 O ATOM 774 CB LYS A 269 1.293 5.620 -5.521 1.00 0.25 C ATOM 775 CG LYS A 269 1.212 7.120 -5.771 1.00 0.49 C ATOM 776 CD LYS A 269 1.680 7.505 -7.166 1.00 0.59 C ATOM 777 CE LYS A 269 2.989 8.276 -7.112 1.00 0.49 C ATOM 778 NZ LYS A 269 3.436 8.712 -8.462 1.00 1.40 N ATOM 0 H LYS A 269 2.135 3.184 -4.905 1.00 0.20 H new ATOM 0 HA LYS A 269 3.051 5.325 -6.730 1.00 0.23 H new ATOM 0 HB2 LYS A 269 0.573 5.118 -6.167 1.00 0.25 H new ATOM 0 HB3 LYS A 269 0.992 5.420 -4.493 1.00 0.25 H new ATOM 0 HG2 LYS A 269 0.184 7.453 -5.632 1.00 0.49 H new ATOM 0 HG3 LYS A 269 1.819 7.642 -5.031 1.00 0.49 H new ATOM 0 HD2 LYS A 269 1.808 6.607 -7.770 1.00 0.59 H new ATOM 0 HD3 LYS A 269 0.917 8.112 -7.654 1.00 0.59 H new ATOM 0 HE2 LYS A 269 2.869 9.149 -6.471 1.00 0.49 H new ATOM 0 HE3 LYS A 269 3.759 7.651 -6.660 1.00 0.49 H new ATOM 0 HZ1 LYS A 269 4.332 9.234 -8.379 1.00 1.40 H new ATOM 0 HZ2 LYS A 269 3.576 7.878 -9.068 1.00 1.40 H new ATOM 0 HZ3 LYS A 269 2.713 9.329 -8.884 1.00 1.40 H new ATOM 792 N ILE A 270 4.831 5.762 -5.010 1.00 0.31 N ATOM 793 CA ILE A 270 5.751 6.293 -4.032 1.00 0.34 C ATOM 794 C ILE A 270 5.624 7.809 -3.978 1.00 0.38 C ATOM 795 O ILE A 270 6.102 8.518 -4.862 1.00 0.42 O ATOM 796 CB ILE A 270 7.216 5.894 -4.312 1.00 0.39 C ATOM 797 CG1 ILE A 270 7.355 5.057 -5.593 1.00 0.57 C ATOM 798 CG2 ILE A 270 7.787 5.129 -3.132 1.00 0.61 C ATOM 799 CD1 ILE A 270 7.179 5.836 -6.880 1.00 1.44 C ATOM 0 H ILE A 270 5.214 5.647 -5.948 1.00 0.31 H new ATOM 0 HA ILE A 270 5.484 5.860 -3.068 1.00 0.34 H new ATOM 0 HB ILE A 270 7.779 6.816 -4.458 1.00 0.39 H new ATOM 0 HG12 ILE A 270 8.339 4.588 -5.600 1.00 0.57 H new ATOM 0 HG13 ILE A 270 6.619 4.253 -5.567 1.00 0.57 H new ATOM 0 HG21 ILE A 270 8.820 4.854 -3.343 1.00 0.61 H new ATOM 0 HG22 ILE A 270 7.753 5.756 -2.241 1.00 0.61 H new ATOM 0 HG23 ILE A 270 7.198 4.227 -2.964 1.00 0.61 H new ATOM 0 HD11 ILE A 270 7.294 5.164 -7.731 1.00 1.44 H new ATOM 0 HD12 ILE A 270 6.185 6.283 -6.902 1.00 1.44 H new ATOM 0 HD13 ILE A 270 7.931 6.623 -6.935 1.00 1.44 H new ATOM 877 N TRP A 276 2.342 5.918 1.399 1.00 0.41 N ATOM 878 CA TRP A 276 2.168 5.872 -0.035 1.00 0.33 C ATOM 879 C TRP A 276 0.792 5.385 -0.411 1.00 0.23 C ATOM 880 O TRP A 276 -0.045 5.105 0.448 1.00 0.22 O ATOM 881 CB TRP A 276 3.210 4.973 -0.691 1.00 0.41 C ATOM 882 CG TRP A 276 4.402 4.707 0.170 1.00 0.62 C ATOM 883 CD1 TRP A 276 4.540 3.711 1.093 1.00 0.98 C ATOM 884 CD2 TRP A 276 5.619 5.452 0.200 1.00 0.58 C ATOM 885 NE1 TRP A 276 5.762 3.806 1.701 1.00 1.10 N ATOM 886 CE2 TRP A 276 6.444 4.861 1.162 1.00 0.86 C ATOM 887 CE3 TRP A 276 6.093 6.558 -0.498 1.00 0.52 C ATOM 888 CZ2 TRP A 276 7.709 5.340 1.452 1.00 0.93 C ATOM 889 CZ3 TRP A 276 7.355 7.039 -0.212 1.00 0.69 C ATOM 890 CH2 TRP A 276 8.153 6.428 0.755 1.00 0.82 C ATOM 0 HA TRP A 276 2.294 6.892 -0.397 1.00 0.33 H new ATOM 0 HB2 TRP A 276 2.744 4.023 -0.954 1.00 0.41 H new ATOM 0 HB3 TRP A 276 3.541 5.434 -1.622 1.00 0.41 H new ATOM 0 HD1 TRP A 276 3.795 2.960 1.311 1.00 0.98 H new ATOM 0 HE1 TRP A 276 6.108 3.190 2.437 1.00 1.10 H new ATOM 0 HE3 TRP A 276 5.483 7.033 -1.252 1.00 0.52 H new ATOM 0 HZ2 TRP A 276 8.325 4.870 2.204 1.00 0.93 H new ATOM 0 HZ3 TRP A 276 7.730 7.901 -0.745 1.00 0.69 H new ATOM 0 HH2 TRP A 276 9.138 6.822 0.956 1.00 0.82 H new ATOM 901 N GLU A 277 0.585 5.280 -1.708 1.00 0.19 N ATOM 902 CA GLU A 277 -0.687 4.938 -2.266 1.00 0.16 C ATOM 903 C GLU A 277 -0.643 3.594 -2.904 1.00 0.19 C ATOM 904 O GLU A 277 0.203 3.326 -3.717 1.00 0.48 O ATOM 905 CB GLU A 277 -1.097 5.995 -3.270 1.00 0.15 C ATOM 906 CG GLU A 277 -1.875 7.110 -2.625 1.00 0.23 C ATOM 907 CD GLU A 277 -2.156 8.270 -3.556 1.00 0.27 C ATOM 908 OE1 GLU A 277 -2.558 8.034 -4.709 1.00 1.03 O ATOM 909 OE2 GLU A 277 -1.975 9.433 -3.131 1.00 0.92 O ATOM 0 H GLU A 277 1.313 5.434 -2.406 1.00 0.19 H new ATOM 0 HA GLU A 277 -1.426 4.899 -1.466 1.00 0.16 H new ATOM 0 HB2 GLU A 277 -0.208 6.403 -3.751 1.00 0.15 H new ATOM 0 HB3 GLU A 277 -1.701 5.537 -4.053 1.00 0.15 H new ATOM 0 HG2 GLU A 277 -2.821 6.715 -2.255 1.00 0.23 H new ATOM 0 HG3 GLU A 277 -1.321 7.475 -1.760 1.00 0.23 H new ATOM 916 N GLY A 278 -1.556 2.754 -2.518 1.00 0.39 N ATOM 917 CA GLY A 278 -1.647 1.480 -3.108 1.00 0.34 C ATOM 918 C GLY A 278 -2.731 1.449 -4.143 1.00 0.28 C ATOM 919 O GLY A 278 -3.549 2.365 -4.238 1.00 0.32 O ATOM 0 H GLY A 278 -2.246 2.943 -1.791 1.00 0.39 H new ATOM 0 HA2 GLY A 278 -0.693 1.217 -3.566 1.00 0.34 H new ATOM 0 HA3 GLY A 278 -1.849 0.733 -2.341 1.00 0.34 H new ATOM 923 N GLU A 279 -2.743 0.388 -4.890 1.00 0.22 N ATOM 924 CA GLU A 279 -3.671 0.195 -5.953 1.00 0.18 C ATOM 925 C GLU A 279 -3.985 -1.266 -5.981 1.00 0.13 C ATOM 926 O GLU A 279 -3.161 -2.100 -6.351 1.00 0.14 O ATOM 927 CB GLU A 279 -3.086 0.613 -7.287 1.00 0.25 C ATOM 928 CG GLU A 279 -4.132 0.737 -8.368 1.00 0.27 C ATOM 929 CD GLU A 279 -3.536 0.709 -9.759 1.00 0.66 C ATOM 930 OE1 GLU A 279 -2.993 1.744 -10.194 1.00 1.08 O ATOM 931 OE2 GLU A 279 -3.603 -0.341 -10.420 1.00 0.99 O ATOM 0 H GLU A 279 -2.089 -0.386 -4.771 1.00 0.22 H new ATOM 0 HA GLU A 279 -4.560 0.803 -5.789 1.00 0.18 H new ATOM 0 HB2 GLU A 279 -2.574 1.568 -7.171 1.00 0.25 H new ATOM 0 HB3 GLU A 279 -2.336 -0.116 -7.595 1.00 0.25 H new ATOM 0 HG2 GLU A 279 -4.851 -0.076 -8.268 1.00 0.27 H new ATOM 0 HG3 GLU A 279 -4.683 1.668 -8.231 1.00 0.27 H new ATOM 938 N CYS A 280 -5.155 -1.566 -5.539 1.00 0.10 N ATOM 939 CA CYS A 280 -5.540 -2.915 -5.316 1.00 0.12 C ATOM 940 C CYS A 280 -6.625 -3.324 -6.269 1.00 0.15 C ATOM 941 O CYS A 280 -7.806 -3.144 -5.980 1.00 0.19 O ATOM 942 CB CYS A 280 -6.034 -2.977 -3.912 1.00 0.17 C ATOM 943 SG CYS A 280 -5.532 -1.552 -2.959 1.00 1.52 S ATOM 0 H CYS A 280 -5.876 -0.879 -5.321 1.00 0.10 H new ATOM 0 HA CYS A 280 -4.703 -3.594 -5.477 1.00 0.12 H new ATOM 0 HB2 CYS A 280 -7.122 -3.046 -3.914 1.00 0.17 H new ATOM 0 HB3 CYS A 280 -5.658 -3.882 -3.435 1.00 0.17 H new ATOM 0 HG CYS A 280 -4.323 -1.211 -3.293 1.00 1.52 H new ATOM 949 N ASN A 281 -6.212 -3.856 -7.405 1.00 0.18 N ATOM 950 CA ASN A 281 -7.128 -4.358 -8.417 1.00 0.25 C ATOM 951 C ASN A 281 -8.288 -3.387 -8.646 1.00 0.23 C ATOM 952 O ASN A 281 -9.434 -3.799 -8.829 1.00 0.32 O ATOM 953 CB ASN A 281 -7.639 -5.744 -8.010 1.00 0.33 C ATOM 954 CG ASN A 281 -6.504 -6.714 -7.699 1.00 0.48 C ATOM 955 OD1 ASN A 281 -6.656 -7.618 -6.878 1.00 1.04 O ATOM 956 ND2 ASN A 281 -5.353 -6.530 -8.340 1.00 0.69 N ATOM 0 H ASN A 281 -5.228 -3.953 -7.654 1.00 0.18 H new ATOM 0 HA ASN A 281 -6.591 -4.446 -9.361 1.00 0.25 H new ATOM 0 HB2 ASN A 281 -8.282 -5.649 -7.135 1.00 0.33 H new ATOM 0 HB3 ASN A 281 -8.252 -6.152 -8.813 1.00 0.33 H new ATOM 0 HD21 ASN A 281 -4.563 -7.148 -8.157 1.00 0.69 H new ATOM 0 HD22 ASN A 281 -5.261 -5.771 -9.015 1.00 0.69 H new ATOM 963 N GLY A 282 -7.968 -2.093 -8.659 1.00 0.17 N ATOM 964 CA GLY A 282 -8.958 -1.082 -8.942 1.00 0.18 C ATOM 965 C GLY A 282 -9.377 -0.259 -7.732 1.00 0.16 C ATOM 966 O GLY A 282 -10.262 0.587 -7.846 1.00 0.28 O ATOM 0 H GLY A 282 -7.032 -1.732 -8.476 1.00 0.17 H new ATOM 0 HA2 GLY A 282 -8.566 -0.410 -9.706 1.00 0.18 H new ATOM 0 HA3 GLY A 282 -9.841 -1.563 -9.363 1.00 0.18 H new ATOM 970 N LYS A 283 -8.762 -0.486 -6.573 1.00 0.10 N ATOM 971 CA LYS A 283 -8.840 0.502 -5.505 1.00 0.10 C ATOM 972 C LYS A 283 -7.541 1.239 -5.447 1.00 0.09 C ATOM 973 O LYS A 283 -6.481 0.664 -5.675 1.00 0.12 O ATOM 974 CB LYS A 283 -9.108 -0.051 -4.099 1.00 0.11 C ATOM 975 CG LYS A 283 -10.367 -0.891 -3.962 1.00 0.15 C ATOM 976 CD LYS A 283 -10.220 -2.279 -4.557 1.00 0.14 C ATOM 977 CE LYS A 283 -11.511 -3.049 -4.449 1.00 0.24 C ATOM 978 NZ LYS A 283 -11.408 -4.412 -5.023 1.00 0.38 N ATOM 0 H LYS A 283 -8.219 -1.321 -6.355 1.00 0.10 H new ATOM 0 HA LYS A 283 -9.696 1.126 -5.759 1.00 0.10 H new ATOM 0 HB2 LYS A 283 -8.253 -0.655 -3.795 1.00 0.11 H new ATOM 0 HB3 LYS A 283 -9.171 0.786 -3.403 1.00 0.11 H new ATOM 0 HG2 LYS A 283 -10.625 -0.979 -2.907 1.00 0.15 H new ATOM 0 HG3 LYS A 283 -11.195 -0.378 -4.451 1.00 0.15 H new ATOM 0 HD2 LYS A 283 -9.925 -2.201 -5.603 1.00 0.14 H new ATOM 0 HD3 LYS A 283 -9.426 -2.818 -4.041 1.00 0.14 H new ATOM 0 HE2 LYS A 283 -11.801 -3.121 -3.401 1.00 0.24 H new ATOM 0 HE3 LYS A 283 -12.301 -2.501 -4.962 1.00 0.24 H new ATOM 0 HZ1 LYS A 283 -12.321 -4.900 -4.924 1.00 0.38 H new ATOM 0 HZ2 LYS A 283 -11.158 -4.346 -6.030 1.00 0.38 H new ATOM 0 HZ3 LYS A 283 -10.673 -4.947 -4.518 1.00 0.38 H new ATOM 992 N ARG A 284 -7.629 2.495 -5.121 1.00 0.07 N ATOM 993 CA ARG A 284 -6.473 3.322 -4.948 1.00 0.09 C ATOM 994 C ARG A 284 -6.641 4.167 -3.712 1.00 0.11 C ATOM 995 O ARG A 284 -7.760 4.476 -3.308 1.00 0.13 O ATOM 996 CB ARG A 284 -6.260 4.204 -6.139 1.00 0.11 C ATOM 997 CG ARG A 284 -6.107 3.388 -7.382 1.00 0.20 C ATOM 998 CD ARG A 284 -5.117 4.045 -8.311 1.00 0.35 C ATOM 999 NE ARG A 284 -5.107 3.463 -9.651 1.00 0.68 N ATOM 1000 CZ ARG A 284 -5.064 4.182 -10.775 1.00 1.10 C ATOM 1001 NH1 ARG A 284 -5.163 5.507 -10.726 1.00 1.42 N ATOM 1002 NH2 ARG A 284 -4.928 3.571 -11.945 1.00 1.46 N ATOM 0 H ARG A 284 -8.514 2.978 -4.966 1.00 0.07 H new ATOM 0 HA ARG A 284 -5.600 2.678 -4.840 1.00 0.09 H new ATOM 0 HB2 ARG A 284 -7.103 4.886 -6.248 1.00 0.11 H new ATOM 0 HB3 ARG A 284 -5.371 4.817 -5.989 1.00 0.11 H new ATOM 0 HG2 ARG A 284 -5.769 2.383 -7.128 1.00 0.20 H new ATOM 0 HG3 ARG A 284 -7.071 3.284 -7.879 1.00 0.20 H new ATOM 0 HD2 ARG A 284 -5.349 5.107 -8.386 1.00 0.35 H new ATOM 0 HD3 ARG A 284 -4.119 3.966 -7.881 1.00 0.35 H new ATOM 0 HE ARG A 284 -5.135 2.447 -9.733 1.00 0.68 H new ATOM 0 HH11 ARG A 284 -5.272 5.977 -9.828 1.00 1.42 H new ATOM 0 HH12 ARG A 284 -5.130 6.053 -11.587 1.00 1.42 H new ATOM 0 HH21 ARG A 284 -4.857 2.554 -11.984 1.00 1.46 H new ATOM 0 HH22 ARG A 284 -4.895 4.118 -12.805 1.00 1.46 H new ATOM 1016 N GLY A 285 -5.541 4.536 -3.126 1.00 0.13 N ATOM 1017 CA GLY A 285 -5.585 5.255 -1.880 1.00 0.14 C ATOM 1018 C GLY A 285 -4.305 5.128 -1.107 1.00 0.15 C ATOM 1019 O GLY A 285 -3.379 4.539 -1.594 1.00 0.24 O ATOM 0 H GLY A 285 -4.604 4.354 -3.486 1.00 0.13 H new ATOM 0 HA2 GLY A 285 -5.786 6.308 -2.077 1.00 0.14 H new ATOM 0 HA3 GLY A 285 -6.411 4.881 -1.275 1.00 0.14 H new ATOM 1023 N HIS A 286 -4.256 5.637 0.111 1.00 0.11 N ATOM 1024 CA HIS A 286 -3.030 5.635 0.880 1.00 0.12 C ATOM 1025 C HIS A 286 -3.265 5.088 2.254 1.00 0.12 C ATOM 1026 O HIS A 286 -4.336 5.277 2.823 1.00 0.15 O ATOM 1027 CB HIS A 286 -2.451 7.041 0.974 1.00 0.14 C ATOM 1028 CG HIS A 286 -3.474 8.132 1.071 1.00 0.15 C ATOM 1029 ND1 HIS A 286 -4.247 8.361 2.192 1.00 0.21 N ATOM 1030 CD2 HIS A 286 -3.849 9.058 0.162 1.00 0.19 C ATOM 1031 CE1 HIS A 286 -5.060 9.376 1.962 1.00 0.25 C ATOM 1032 NE2 HIS A 286 -4.836 9.816 0.741 1.00 0.23 N ATOM 0 H HIS A 286 -5.054 6.057 0.587 1.00 0.11 H new ATOM 0 HA HIS A 286 -2.314 4.994 0.366 1.00 0.12 H new ATOM 0 HB2 HIS A 286 -1.799 7.094 1.846 1.00 0.14 H new ATOM 0 HB3 HIS A 286 -1.828 7.222 0.098 1.00 0.14 H new ATOM 0 HD2 HIS A 286 -3.448 9.179 -0.833 1.00 0.19 H new ATOM 0 HE1 HIS A 286 -5.784 9.776 2.656 1.00 0.25 H new ATOM 0 HE2 HIS A 286 -5.319 10.596 0.296 1.00 0.23 H new ATOM 1041 N PHE A 287 -2.239 4.445 2.792 1.00 0.10 N ATOM 1042 CA PHE A 287 -2.389 3.654 4.008 1.00 0.11 C ATOM 1043 C PHE A 287 -1.027 3.153 4.485 1.00 0.15 C ATOM 1044 O PHE A 287 -0.226 2.671 3.684 1.00 0.23 O ATOM 1045 CB PHE A 287 -3.298 2.433 3.766 1.00 0.12 C ATOM 1046 CG PHE A 287 -4.792 2.638 3.926 1.00 0.10 C ATOM 1047 CD1 PHE A 287 -5.323 3.426 4.941 1.00 0.12 C ATOM 1048 CD2 PHE A 287 -5.667 2.034 3.042 1.00 0.09 C ATOM 1049 CE1 PHE A 287 -6.689 3.600 5.061 1.00 0.13 C ATOM 1050 CE2 PHE A 287 -7.031 2.206 3.155 1.00 0.09 C ATOM 1051 CZ PHE A 287 -7.543 2.991 4.166 1.00 0.12 C ATOM 0 H PHE A 287 -1.294 4.454 2.408 1.00 0.10 H new ATOM 0 HA PHE A 287 -2.840 4.297 4.764 1.00 0.11 H new ATOM 0 HB2 PHE A 287 -3.113 2.070 2.755 1.00 0.12 H new ATOM 0 HB3 PHE A 287 -2.990 1.642 4.450 1.00 0.12 H new ATOM 0 HD1 PHE A 287 -4.660 3.908 5.644 1.00 0.12 H new ATOM 0 HD2 PHE A 287 -5.275 1.416 2.248 1.00 0.09 H new ATOM 0 HE1 PHE A 287 -7.087 4.213 5.856 1.00 0.13 H new ATOM 0 HE2 PHE A 287 -7.697 1.726 2.453 1.00 0.09 H new ATOM 0 HZ PHE A 287 -8.610 3.129 4.257 1.00 0.12 H new ATOM 1061 N PRO A 288 -0.745 3.284 5.790 1.00 0.17 N ATOM 1062 CA PRO A 288 0.462 2.743 6.426 1.00 0.23 C ATOM 1063 C PRO A 288 0.693 1.257 6.162 1.00 0.18 C ATOM 1064 O PRO A 288 -0.231 0.496 5.848 1.00 0.16 O ATOM 1065 CB PRO A 288 0.209 2.978 7.926 1.00 0.35 C ATOM 1066 CG PRO A 288 -1.235 3.315 8.026 1.00 0.33 C ATOM 1067 CD PRO A 288 -1.537 4.037 6.760 1.00 0.23 C ATOM 0 HA PRO A 288 1.356 3.227 6.032 1.00 0.23 H new ATOM 0 HB2 PRO A 288 0.448 2.089 8.510 1.00 0.35 H new ATOM 0 HB3 PRO A 288 0.830 3.788 8.309 1.00 0.35 H new ATOM 0 HG2 PRO A 288 -1.846 2.418 8.127 1.00 0.33 H new ATOM 0 HG3 PRO A 288 -1.438 3.938 8.897 1.00 0.33 H new ATOM 0 HD2 PRO A 288 -2.601 4.018 6.522 1.00 0.23 H new ATOM 0 HD3 PRO A 288 -1.239 5.085 6.806 1.00 0.23 H new ATOM 1075 N PHE A 289 1.947 0.863 6.290 1.00 0.23 N ATOM 1076 CA PHE A 289 2.345 -0.536 6.148 1.00 0.26 C ATOM 1077 C PHE A 289 1.955 -1.344 7.379 1.00 0.23 C ATOM 1078 O PHE A 289 1.944 -2.575 7.343 1.00 0.26 O ATOM 1079 CB PHE A 289 3.849 -0.647 5.892 1.00 0.38 C ATOM 1080 CG PHE A 289 4.418 -2.019 6.135 1.00 0.29 C ATOM 1081 CD1 PHE A 289 4.366 -2.982 5.150 1.00 0.26 C ATOM 1082 CD2 PHE A 289 4.997 -2.344 7.349 1.00 0.32 C ATOM 1083 CE1 PHE A 289 4.884 -4.245 5.362 1.00 0.26 C ATOM 1084 CE2 PHE A 289 5.514 -3.603 7.569 1.00 0.31 C ATOM 1085 CZ PHE A 289 5.457 -4.555 6.574 1.00 0.26 C ATOM 0 H PHE A 289 2.720 1.497 6.495 1.00 0.23 H new ATOM 0 HA PHE A 289 1.816 -0.948 5.289 1.00 0.26 H new ATOM 0 HB2 PHE A 289 4.053 -0.359 4.861 1.00 0.38 H new ATOM 0 HB3 PHE A 289 4.368 0.068 6.531 1.00 0.38 H new ATOM 0 HD1 PHE A 289 3.914 -2.746 4.198 1.00 0.26 H new ATOM 0 HD2 PHE A 289 5.044 -1.603 8.133 1.00 0.32 H new ATOM 0 HE1 PHE A 289 4.839 -4.987 4.579 1.00 0.26 H new ATOM 0 HE2 PHE A 289 5.964 -3.843 8.521 1.00 0.31 H new ATOM 0 HZ PHE A 289 5.861 -5.542 6.745 1.00 0.26 H new ATOM 1095 N THR A 290 1.597 -0.637 8.444 1.00 0.24 N ATOM 1096 CA THR A 290 1.288 -1.226 9.740 1.00 0.27 C ATOM 1097 C THR A 290 0.187 -2.292 9.683 1.00 0.23 C ATOM 1098 O THR A 290 -0.211 -2.834 10.714 1.00 0.28 O ATOM 1099 CB THR A 290 0.873 -0.120 10.720 1.00 0.36 C ATOM 1100 OG1 THR A 290 -0.085 0.742 10.094 1.00 0.62 O ATOM 1101 CG2 THR A 290 2.076 0.697 11.170 1.00 0.44 C ATOM 0 H THR A 290 1.512 0.379 8.430 1.00 0.24 H new ATOM 0 HA THR A 290 2.195 -1.728 10.077 1.00 0.27 H new ATOM 0 HB THR A 290 0.431 -0.591 11.598 1.00 0.36 H new ATOM 0 HG1 THR A 290 -0.350 1.447 10.721 1.00 0.62 H new ATOM 0 HG21 THR A 290 1.750 1.472 11.863 1.00 0.44 H new ATOM 0 HG22 THR A 290 2.794 0.044 11.667 1.00 0.44 H new ATOM 0 HG23 THR A 290 2.546 1.160 10.303 1.00 0.44 H new ATOM 1109 N HIS A 291 -0.308 -2.593 8.487 1.00 0.17 N ATOM 1110 CA HIS A 291 -1.373 -3.554 8.336 1.00 0.16 C ATOM 1111 C HIS A 291 -1.356 -4.148 6.946 1.00 0.14 C ATOM 1112 O HIS A 291 -2.405 -4.464 6.373 1.00 0.13 O ATOM 1113 CB HIS A 291 -2.743 -2.957 8.659 1.00 0.20 C ATOM 1114 CG HIS A 291 -2.977 -1.540 8.218 1.00 0.30 C ATOM 1115 ND1 HIS A 291 -2.490 -1.015 7.041 1.00 0.40 N ATOM 1116 CD2 HIS A 291 -3.724 -0.559 8.777 1.00 0.94 C ATOM 1117 CE1 HIS A 291 -2.937 0.220 6.897 1.00 0.19 C ATOM 1118 NE2 HIS A 291 -3.688 0.521 7.933 1.00 0.77 N ATOM 0 H HIS A 291 0.018 -2.180 7.613 1.00 0.17 H new ATOM 0 HA HIS A 291 -1.197 -4.350 9.060 1.00 0.16 H new ATOM 0 HB2 HIS A 291 -3.506 -3.587 8.202 1.00 0.20 H new ATOM 0 HB3 HIS A 291 -2.892 -3.008 9.738 1.00 0.20 H new ATOM 0 HD2 HIS A 291 -4.252 -0.617 9.717 1.00 0.94 H new ATOM 0 HE1 HIS A 291 -2.721 0.874 6.065 1.00 0.19 H new ATOM 0 HE2 HIS A 291 -4.165 1.410 8.084 1.00 0.77 H new ATOM 1127 N VAL A 292 -0.164 -4.275 6.391 1.00 0.16 N ATOM 1128 CA VAL A 292 0.028 -5.075 5.204 1.00 0.15 C ATOM 1129 C VAL A 292 1.204 -5.980 5.355 1.00 0.19 C ATOM 1130 O VAL A 292 2.220 -5.659 5.972 1.00 0.22 O ATOM 1131 CB VAL A 292 0.204 -4.226 3.930 1.00 0.14 C ATOM 1132 CG1 VAL A 292 -1.032 -3.413 3.658 1.00 0.17 C ATOM 1133 CG2 VAL A 292 1.411 -3.322 4.041 1.00 0.31 C ATOM 0 H VAL A 292 0.683 -3.833 6.747 1.00 0.16 H new ATOM 0 HA VAL A 292 -0.882 -5.664 5.090 1.00 0.15 H new ATOM 0 HB VAL A 292 0.364 -4.908 3.095 1.00 0.14 H new ATOM 0 HG11 VAL A 292 -0.887 -2.821 2.754 1.00 0.17 H new ATOM 0 HG12 VAL A 292 -1.883 -4.080 3.522 1.00 0.17 H new ATOM 0 HG13 VAL A 292 -1.223 -2.748 4.500 1.00 0.17 H new ATOM 0 HG21 VAL A 292 1.511 -2.735 3.128 1.00 0.31 H new ATOM 0 HG22 VAL A 292 1.287 -2.652 4.892 1.00 0.31 H new ATOM 0 HG23 VAL A 292 2.307 -3.927 4.183 1.00 0.31 H new ATOM 1143 N ARG A 293 0.990 -7.139 4.832 1.00 0.22 N ATOM 1144 CA ARG A 293 2.024 -8.071 4.559 1.00 0.21 C ATOM 1145 C ARG A 293 2.345 -7.806 3.124 1.00 0.32 C ATOM 1146 O ARG A 293 1.520 -7.225 2.457 1.00 0.70 O ATOM 1147 CB ARG A 293 1.480 -9.479 4.720 1.00 0.19 C ATOM 1148 CG ARG A 293 0.372 -9.579 5.746 1.00 0.17 C ATOM 1149 CD ARG A 293 -0.438 -10.853 5.595 1.00 0.26 C ATOM 1150 NE ARG A 293 0.368 -12.054 5.817 1.00 0.27 N ATOM 1151 CZ ARG A 293 0.632 -12.980 4.893 1.00 0.52 C ATOM 1152 NH1 ARG A 293 0.168 -12.849 3.656 1.00 1.09 N ATOM 1153 NH2 ARG A 293 1.372 -14.035 5.210 1.00 0.60 N ATOM 0 H ARG A 293 0.061 -7.472 4.576 1.00 0.22 H new ATOM 0 HA ARG A 293 2.889 -7.979 5.215 1.00 0.21 H new ATOM 0 HB2 ARG A 293 1.107 -9.829 3.758 1.00 0.19 H new ATOM 0 HB3 ARG A 293 2.294 -10.145 5.008 1.00 0.19 H new ATOM 0 HG2 ARG A 293 0.802 -9.541 6.747 1.00 0.17 H new ATOM 0 HG3 ARG A 293 -0.289 -8.717 5.650 1.00 0.17 H new ATOM 0 HD2 ARG A 293 -1.268 -10.839 6.302 1.00 0.26 H new ATOM 0 HD3 ARG A 293 -0.871 -10.889 4.596 1.00 0.26 H new ATOM 0 HE ARG A 293 0.758 -12.194 6.749 1.00 0.27 H new ATOM 0 HH11 ARG A 293 -0.395 -12.036 3.406 1.00 1.09 H new ATOM 0 HH12 ARG A 293 0.374 -13.561 2.956 1.00 1.09 H new ATOM 0 HH21 ARG A 293 1.737 -14.136 6.157 1.00 0.60 H new ATOM 0 HH22 ARG A 293 1.576 -14.745 4.507 1.00 0.60 H new ATOM 1167 N LEU A 294 3.504 -8.124 2.642 1.00 0.18 N ATOM 1168 CA LEU A 294 3.692 -8.028 1.209 1.00 0.18 C ATOM 1169 C LEU A 294 3.886 -9.372 0.531 1.00 0.21 C ATOM 1170 O LEU A 294 4.128 -10.404 1.159 1.00 0.30 O ATOM 1171 CB LEU A 294 4.852 -7.133 0.807 1.00 0.22 C ATOM 1172 CG LEU A 294 5.231 -5.987 1.743 1.00 0.30 C ATOM 1173 CD1 LEU A 294 6.424 -5.247 1.177 1.00 0.66 C ATOM 1174 CD2 LEU A 294 4.083 -5.017 1.957 1.00 0.58 C ATOM 0 H LEU A 294 4.310 -8.440 3.182 1.00 0.18 H new ATOM 0 HA LEU A 294 2.757 -7.583 0.868 1.00 0.18 H new ATOM 0 HB2 LEU A 294 5.732 -7.764 0.678 1.00 0.22 H new ATOM 0 HB3 LEU A 294 4.621 -6.705 -0.169 1.00 0.22 H new ATOM 0 HG LEU A 294 5.479 -6.420 2.712 1.00 0.30 H new ATOM 0 HD11 LEU A 294 6.695 -4.429 1.845 1.00 0.66 H new ATOM 0 HD12 LEU A 294 7.266 -5.933 1.083 1.00 0.66 H new ATOM 0 HD13 LEU A 294 6.171 -4.846 0.196 1.00 0.66 H new ATOM 0 HD21 LEU A 294 4.401 -4.220 2.629 1.00 0.58 H new ATOM 0 HD22 LEU A 294 3.786 -4.588 1.000 1.00 0.58 H new ATOM 0 HD23 LEU A 294 3.237 -5.546 2.396 1.00 0.58 H new ATOM 1186 N LEU A 295 3.778 -9.294 -0.779 1.00 0.20 N ATOM 1187 CA LEU A 295 3.932 -10.370 -1.700 1.00 0.22 C ATOM 1188 C LEU A 295 5.082 -10.048 -2.652 1.00 0.28 C ATOM 1189 O LEU A 295 5.618 -8.938 -2.629 1.00 0.31 O ATOM 1190 CB LEU A 295 2.652 -10.454 -2.501 1.00 0.23 C ATOM 1191 CG LEU A 295 1.852 -11.736 -2.379 1.00 0.25 C ATOM 1192 CD1 LEU A 295 1.137 -11.757 -1.045 1.00 0.29 C ATOM 1193 CD2 LEU A 295 0.866 -11.847 -3.527 1.00 0.28 C ATOM 0 H LEU A 295 3.566 -8.413 -1.247 1.00 0.20 H new ATOM 0 HA LEU A 295 4.139 -11.305 -1.180 1.00 0.22 H new ATOM 0 HB2 LEU A 295 2.011 -9.624 -2.205 1.00 0.23 H new ATOM 0 HB3 LEU A 295 2.899 -10.306 -3.552 1.00 0.23 H new ATOM 0 HG LEU A 295 2.524 -12.593 -2.429 1.00 0.25 H new ATOM 0 HD11 LEU A 295 0.561 -12.678 -0.955 1.00 0.29 H new ATOM 0 HD12 LEU A 295 1.869 -11.707 -0.239 1.00 0.29 H new ATOM 0 HD13 LEU A 295 0.465 -10.901 -0.979 1.00 0.29 H new ATOM 0 HD21 LEU A 295 0.297 -12.771 -3.430 1.00 0.28 H new ATOM 0 HD22 LEU A 295 0.184 -10.997 -3.505 1.00 0.28 H new ATOM 0 HD23 LEU A 295 1.408 -11.853 -4.473 1.00 0.28 H new ATOM 1205 N ASP A 296 5.410 -10.976 -3.535 1.00 0.39 N ATOM 1206 CA ASP A 296 6.504 -10.785 -4.466 1.00 0.50 C ATOM 1207 C ASP A 296 5.993 -10.259 -5.809 1.00 0.73 C ATOM 1208 O ASP A 296 5.878 -10.994 -6.787 1.00 1.81 O ATOM 1209 CB ASP A 296 7.314 -12.080 -4.626 1.00 0.84 C ATOM 1210 CG ASP A 296 6.494 -13.261 -5.114 1.00 1.76 C ATOM 1211 OD1 ASP A 296 5.644 -13.756 -4.350 1.00 2.44 O ATOM 1212 OD2 ASP A 296 6.683 -13.688 -6.273 1.00 2.42 O ATOM 0 H ASP A 296 4.931 -11.872 -3.625 1.00 0.39 H new ATOM 0 HA ASP A 296 7.176 -10.029 -4.060 1.00 0.50 H new ATOM 0 HB2 ASP A 296 8.130 -11.903 -5.326 1.00 0.84 H new ATOM 0 HB3 ASP A 296 7.766 -12.335 -3.668 1.00 0.84 H new ATOM 1217 N GLN A 297 5.667 -8.962 -5.797 1.00 0.53 N ATOM 1218 CA GLN A 297 5.252 -8.187 -6.992 1.00 0.41 C ATOM 1219 C GLN A 297 4.332 -8.976 -7.917 1.00 0.64 C ATOM 1220 O GLN A 297 3.131 -9.075 -7.602 1.00 1.25 O ATOM 1221 CB GLN A 297 6.468 -7.664 -7.771 1.00 0.51 C ATOM 1222 CG GLN A 297 7.761 -8.400 -7.488 1.00 0.88 C ATOM 1223 CD GLN A 297 8.928 -7.823 -8.252 1.00 0.87 C ATOM 1224 OE1 GLN A 297 9.274 -8.284 -9.340 1.00 1.02 O ATOM 1225 NE2 GLN A 297 9.513 -6.778 -7.700 1.00 1.02 N ATOM 1226 OXT GLN A 297 4.800 -9.464 -8.968 1.00 1.41 O ATOM 0 H GLN A 297 5.682 -8.402 -4.944 1.00 0.53 H new ATOM 0 HA GLN A 297 4.683 -7.336 -6.617 1.00 0.41 H new ATOM 0 HB2 GLN A 297 6.255 -7.728 -8.838 1.00 0.51 H new ATOM 0 HB3 GLN A 297 6.607 -6.609 -7.537 1.00 0.51 H new ATOM 0 HG2 GLN A 297 7.973 -8.359 -6.420 1.00 0.88 H new ATOM 0 HG3 GLN A 297 7.643 -9.452 -7.750 1.00 0.88 H new ATOM 0 HE21 GLN A 297 9.191 -6.432 -6.796 1.00 1.02 H new ATOM 0 HE22 GLN A 297 10.287 -6.316 -8.177 1.00 1.02 H new