USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 538 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 391 THR OG1 : rot -73:sc= 0.46 USER MOD Set 1.2: A 393 HIS : no HE2:sc= -9.92! C(o=-9.5!,f=-17!) USER MOD Set 1.3: A 416 TYR OH : rot 150:sc= 0 USER MOD Set 2.1: A 378 ASN : amide:sc= -7.13! K(o=-6.6!,f=-3.5) USER MOD Set 2.2: A 383 TYR OH : rot 180:sc= 0.505 USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 381 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 396 GLN : amide:sc= -2.29! C(o=-2.3!,f=-4.1!) USER MOD Single : A 399 GLN : amide:sc= -0.966 K(o=-0.97,f=-0.34) USER MOD Single : A 400 SER OG : rot 180:sc= 0 USER MOD Single : A 402 THR OG1 : rot 180:sc= 0 USER MOD Single : A 403 THR OG1 : rot 180:sc= -0.813 USER MOD Single : A 405 ASN : amide:sc= -5.17! C(o=-5.2!,f=-1.7!) USER MOD Single : A 412 TYR OH : rot 180:sc= 0 USER MOD Single : A 413 TYR OH : rot 180:sc= 0 USER MOD Single : A 415 HIS : no HE2:sc=-0.00952 K(o=-0.0095,f=-0.54) USER MOD Single : A 420 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.13) USER MOD Single : A 430 HIS : no HD1:sc= -2.78 K(o=-2.8,f=-8.4!) USER MOD Single : A 433 SER OG : rot -2:sc= 0.845 USER MOD Single : A 435 ASN : amide:sc= -0.665 X(o=-0.67,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 157 N ILE A 373 -5.165 -8.486 4.867 1.00 1.42 N ATOM 158 CA ILE A 373 -5.496 -7.445 5.834 1.00 1.22 C ATOM 159 C ILE A 373 -6.972 -7.072 5.741 1.00 1.13 C ATOM 160 O ILE A 373 -7.514 -6.914 4.647 1.00 1.20 O ATOM 161 CB ILE A 373 -4.644 -6.179 5.615 1.00 1.16 C ATOM 162 CG1 ILE A 373 -3.156 -6.508 5.761 1.00 1.40 C ATOM 163 CG2 ILE A 373 -5.052 -5.086 6.593 1.00 1.26 C ATOM 164 CD1 ILE A 373 -2.244 -5.322 5.524 1.00 1.48 C ATOM 0 HA ILE A 373 -5.281 -7.848 6.824 1.00 1.22 H new ATOM 0 HB ILE A 373 -4.818 -5.813 4.603 1.00 1.16 H new ATOM 0 HG12 ILE A 373 -2.976 -6.899 6.762 1.00 1.40 H new ATOM 0 HG13 ILE A 373 -2.897 -7.300 5.058 1.00 1.40 H new ATOM 0 HG21 ILE A 373 -4.440 -4.200 6.424 1.00 1.26 H new ATOM 0 HG22 ILE A 373 -6.102 -4.836 6.442 1.00 1.26 H new ATOM 0 HG23 ILE A 373 -4.906 -5.438 7.614 1.00 1.26 H new ATOM 0 HD11 ILE A 373 -1.206 -5.631 5.645 1.00 1.48 H new ATOM 0 HD12 ILE A 373 -2.395 -4.944 4.513 1.00 1.48 H new ATOM 0 HD13 ILE A 373 -2.474 -4.536 6.244 1.00 1.48 H new ATOM 176 N ASP A 374 -7.620 -6.941 6.893 1.00 1.16 N ATOM 177 CA ASP A 374 -9.035 -6.594 6.937 1.00 1.17 C ATOM 178 C ASP A 374 -9.232 -5.084 6.961 1.00 1.03 C ATOM 179 O ASP A 374 -8.629 -4.381 7.773 1.00 1.25 O ATOM 180 CB ASP A 374 -9.693 -7.225 8.167 1.00 1.40 C ATOM 181 CG ASP A 374 -9.624 -8.739 8.144 1.00 1.77 C ATOM 182 OD1 ASP A 374 -10.159 -9.343 7.190 1.00 2.04 O ATOM 183 OD2 ASP A 374 -9.035 -9.320 9.078 1.00 2.17 O ATOM 0 H ASP A 374 -7.188 -7.070 7.808 1.00 1.16 H new ATOM 0 HA ASP A 374 -9.506 -6.984 6.035 1.00 1.17 H new ATOM 0 HB2 ASP A 374 -9.204 -6.855 9.068 1.00 1.40 H new ATOM 0 HB3 ASP A 374 -10.736 -6.912 8.219 1.00 1.40 H new ATOM 188 N ILE A 375 -10.086 -4.591 6.068 1.00 0.84 N ATOM 189 CA ILE A 375 -10.371 -3.164 5.990 1.00 0.76 C ATOM 190 C ILE A 375 -11.446 -2.763 6.990 1.00 0.76 C ATOM 191 O ILE A 375 -11.318 -1.753 7.679 1.00 0.79 O ATOM 192 CB ILE A 375 -10.831 -2.755 4.578 1.00 0.77 C ATOM 193 CG1 ILE A 375 -9.703 -2.975 3.565 1.00 0.82 C ATOM 194 CG2 ILE A 375 -11.285 -1.301 4.576 1.00 0.84 C ATOM 195 CD1 ILE A 375 -10.099 -2.669 2.137 1.00 0.92 C ATOM 0 H ILE A 375 -10.592 -5.160 5.389 1.00 0.84 H new ATOM 0 HA ILE A 375 -9.441 -2.647 6.227 1.00 0.76 H new ATOM 0 HB ILE A 375 -11.675 -3.380 4.287 1.00 0.77 H new ATOM 0 HG12 ILE A 375 -8.854 -2.349 3.839 1.00 0.82 H new ATOM 0 HG13 ILE A 375 -9.369 -4.011 3.626 1.00 0.82 H new ATOM 0 HG21 ILE A 375 -11.608 -1.022 3.573 1.00 0.84 H new ATOM 0 HG22 ILE A 375 -12.115 -1.178 5.272 1.00 0.84 H new ATOM 0 HG23 ILE A 375 -10.457 -0.661 4.882 1.00 0.84 H new ATOM 0 HD11 ILE A 375 -9.250 -2.848 1.478 1.00 0.92 H new ATOM 0 HD12 ILE A 375 -10.928 -3.313 1.843 1.00 0.92 H new ATOM 0 HD13 ILE A 375 -10.405 -1.626 2.060 1.00 0.92 H new ATOM 207 N SER A 376 -12.507 -3.561 7.051 1.00 0.79 N ATOM 208 CA SER A 376 -13.617 -3.299 7.958 1.00 0.87 C ATOM 209 C SER A 376 -13.165 -3.389 9.407 1.00 0.96 C ATOM 210 O SER A 376 -13.393 -4.394 10.083 1.00 1.54 O ATOM 211 CB SER A 376 -14.757 -4.278 7.699 1.00 0.95 C ATOM 212 OG SER A 376 -15.841 -4.048 8.582 1.00 1.71 O ATOM 0 H SER A 376 -12.621 -4.398 6.480 1.00 0.79 H new ATOM 0 HA SER A 376 -13.975 -2.286 7.773 1.00 0.87 H new ATOM 0 HB2 SER A 376 -15.097 -4.180 6.668 1.00 0.95 H new ATOM 0 HB3 SER A 376 -14.397 -5.300 7.820 1.00 0.95 H new ATOM 0 HG SER A 376 -16.558 -4.688 8.393 1.00 1.71 H new ATOM 218 N GLU A 377 -12.514 -2.333 9.868 1.00 0.93 N ATOM 219 CA GLU A 377 -12.011 -2.272 11.227 1.00 1.03 C ATOM 220 C GLU A 377 -11.450 -0.889 11.514 1.00 0.87 C ATOM 221 O GLU A 377 -11.453 -0.426 12.656 1.00 0.93 O ATOM 222 CB GLU A 377 -10.927 -3.330 11.439 1.00 1.18 C ATOM 223 CG GLU A 377 -9.731 -3.171 10.514 1.00 1.28 C ATOM 224 CD GLU A 377 -8.655 -4.211 10.766 1.00 1.54 C ATOM 225 OE1 GLU A 377 -8.955 -5.416 10.644 1.00 1.92 O ATOM 226 OE2 GLU A 377 -7.513 -3.817 11.086 1.00 1.90 O ATOM 0 H GLU A 377 -12.321 -1.499 9.313 1.00 0.93 H new ATOM 0 HA GLU A 377 -12.834 -2.470 11.913 1.00 1.03 H new ATOM 0 HB2 GLU A 377 -10.584 -3.285 12.473 1.00 1.18 H new ATOM 0 HB3 GLU A 377 -11.362 -4.318 11.290 1.00 1.18 H new ATOM 0 HG2 GLU A 377 -10.065 -3.243 9.479 1.00 1.28 H new ATOM 0 HG3 GLU A 377 -9.306 -2.176 10.643 1.00 1.28 H new ATOM 233 N ASN A 378 -10.964 -0.239 10.463 1.00 0.71 N ATOM 234 CA ASN A 378 -10.386 1.096 10.586 1.00 0.61 C ATOM 235 C ASN A 378 -10.056 1.693 9.216 1.00 0.58 C ATOM 236 O ASN A 378 -8.896 1.985 8.924 1.00 0.59 O ATOM 237 CB ASN A 378 -9.129 1.050 11.465 1.00 0.62 C ATOM 238 CG ASN A 378 -8.126 -0.002 11.020 1.00 1.15 C ATOM 239 OD1 ASN A 378 -7.226 -0.366 11.775 1.00 1.16 O ATOM 240 ND2 ASN A 378 -8.258 -0.482 9.788 1.00 2.14 N ATOM 0 H ASN A 378 -10.958 -0.614 9.515 1.00 0.71 H new ATOM 0 HA ASN A 378 -11.128 1.740 11.058 1.00 0.61 H new ATOM 0 HB2 ASN A 378 -8.649 2.029 11.453 1.00 0.62 H new ATOM 0 HB3 ASN A 378 -9.421 0.851 12.496 1.00 0.62 H new ATOM 0 HD21 ASN A 378 -7.599 -1.178 9.438 1.00 2.14 H new ATOM 0 HD22 ASN A 378 -9.018 -0.155 9.192 1.00 2.14 H new ATOM 247 N PRO A 379 -11.071 1.887 8.354 1.00 0.62 N ATOM 248 CA PRO A 379 -10.867 2.456 7.018 1.00 0.65 C ATOM 249 C PRO A 379 -10.131 3.790 7.075 1.00 0.61 C ATOM 250 O PRO A 379 -9.283 4.080 6.232 1.00 0.62 O ATOM 251 CB PRO A 379 -12.290 2.648 6.484 1.00 0.77 C ATOM 252 CG PRO A 379 -13.114 1.668 7.244 1.00 0.85 C ATOM 253 CD PRO A 379 -12.492 1.578 8.609 1.00 0.75 C ATOM 0 HA PRO A 379 -10.252 1.813 6.388 1.00 0.65 H new ATOM 0 HB2 PRO A 379 -12.639 3.668 6.645 1.00 0.77 H new ATOM 0 HB3 PRO A 379 -12.339 2.460 5.412 1.00 0.77 H new ATOM 0 HG2 PRO A 379 -14.151 1.997 7.308 1.00 0.85 H new ATOM 0 HG3 PRO A 379 -13.118 0.696 6.751 1.00 0.85 H new ATOM 0 HD2 PRO A 379 -12.940 2.289 9.303 1.00 0.75 H new ATOM 0 HD3 PRO A 379 -12.617 0.586 9.044 1.00 0.75 H new ATOM 261 N ASP A 380 -10.462 4.596 8.080 1.00 0.62 N ATOM 262 CA ASP A 380 -9.832 5.898 8.258 1.00 0.64 C ATOM 263 C ASP A 380 -8.348 5.750 8.579 1.00 0.55 C ATOM 264 O ASP A 380 -7.537 6.592 8.193 1.00 0.55 O ATOM 265 CB ASP A 380 -10.526 6.686 9.369 1.00 0.75 C ATOM 266 CG ASP A 380 -11.996 6.930 9.081 1.00 0.86 C ATOM 267 OD1 ASP A 380 -12.470 6.496 8.010 1.00 1.21 O ATOM 268 OD2 ASP A 380 -12.673 7.553 9.925 1.00 1.20 O ATOM 0 H ASP A 380 -11.164 4.369 8.784 1.00 0.62 H new ATOM 0 HA ASP A 380 -9.932 6.445 7.320 1.00 0.64 H new ATOM 0 HB2 ASP A 380 -10.429 6.143 10.309 1.00 0.75 H new ATOM 0 HB3 ASP A 380 -10.021 7.643 9.500 1.00 0.75 H new ATOM 273 N LYS A 381 -8.001 4.682 9.298 1.00 0.51 N ATOM 274 CA LYS A 381 -6.611 4.434 9.678 1.00 0.47 C ATOM 275 C LYS A 381 -5.680 4.584 8.480 1.00 0.39 C ATOM 276 O LYS A 381 -5.888 3.968 7.437 1.00 0.37 O ATOM 277 CB LYS A 381 -6.454 3.033 10.278 1.00 0.50 C ATOM 278 CG LYS A 381 -5.007 2.655 10.565 1.00 0.52 C ATOM 279 CD LYS A 381 -4.891 1.237 11.098 1.00 0.59 C ATOM 280 CE LYS A 381 -3.439 0.816 11.265 1.00 0.67 C ATOM 281 NZ LYS A 381 -3.319 -0.589 11.741 1.00 1.66 N ATOM 0 H LYS A 381 -8.661 3.978 9.628 1.00 0.51 H new ATOM 0 HA LYS A 381 -6.338 5.176 10.429 1.00 0.47 H new ATOM 0 HB2 LYS A 381 -7.027 2.976 11.204 1.00 0.50 H new ATOM 0 HB3 LYS A 381 -6.883 2.302 9.592 1.00 0.50 H new ATOM 0 HG2 LYS A 381 -4.418 2.750 9.653 1.00 0.52 H new ATOM 0 HG3 LYS A 381 -4.586 3.352 11.290 1.00 0.52 H new ATOM 0 HD2 LYS A 381 -5.403 1.166 12.058 1.00 0.59 H new ATOM 0 HD3 LYS A 381 -5.393 0.550 10.417 1.00 0.59 H new ATOM 0 HE2 LYS A 381 -2.919 0.922 10.313 1.00 0.67 H new ATOM 0 HE3 LYS A 381 -2.947 1.482 11.973 1.00 0.67 H new ATOM 0 HZ1 LYS A 381 -2.314 -0.837 11.842 1.00 1.66 H new ATOM 0 HZ2 LYS A 381 -3.793 -0.685 12.661 1.00 1.66 H new ATOM 0 HZ3 LYS A 381 -3.766 -1.228 11.053 1.00 1.66 H new ATOM 295 N ILE A 382 -4.657 5.416 8.641 1.00 0.40 N ATOM 296 CA ILE A 382 -3.692 5.660 7.583 1.00 0.35 C ATOM 297 C ILE A 382 -2.778 4.455 7.362 1.00 0.34 C ATOM 298 O ILE A 382 -2.051 4.045 8.267 1.00 0.41 O ATOM 299 CB ILE A 382 -2.813 6.880 7.921 1.00 0.37 C ATOM 300 CG1 ILE A 382 -3.683 8.080 8.312 1.00 0.38 C ATOM 301 CG2 ILE A 382 -1.913 7.225 6.747 1.00 0.41 C ATOM 302 CD1 ILE A 382 -4.686 8.483 7.253 1.00 0.37 C ATOM 0 H ILE A 382 -4.477 5.934 9.501 1.00 0.40 H new ATOM 0 HA ILE A 382 -4.263 5.847 6.673 1.00 0.35 H new ATOM 0 HB ILE A 382 -2.182 6.627 8.773 1.00 0.37 H new ATOM 0 HG12 ILE A 382 -4.217 7.844 9.233 1.00 0.38 H new ATOM 0 HG13 ILE A 382 -3.036 8.930 8.527 1.00 0.38 H new ATOM 0 HG21 ILE A 382 -1.298 8.089 7.001 1.00 0.41 H new ATOM 0 HG22 ILE A 382 -1.269 6.375 6.520 1.00 0.41 H new ATOM 0 HG23 ILE A 382 -2.525 7.459 5.876 1.00 0.41 H new ATOM 0 HD11 ILE A 382 -5.263 9.338 7.605 1.00 0.37 H new ATOM 0 HD12 ILE A 382 -4.160 8.752 6.337 1.00 0.37 H new ATOM 0 HD13 ILE A 382 -5.359 7.649 7.053 1.00 0.37 H new ATOM 314 N TYR A 383 -2.793 3.914 6.146 1.00 0.30 N ATOM 315 CA TYR A 383 -1.936 2.784 5.802 1.00 0.30 C ATOM 316 C TYR A 383 -0.709 3.284 5.049 1.00 0.28 C ATOM 317 O TYR A 383 -0.799 4.236 4.281 1.00 0.25 O ATOM 318 CB TYR A 383 -2.691 1.747 4.956 1.00 0.32 C ATOM 319 CG TYR A 383 -3.663 0.895 5.744 1.00 0.36 C ATOM 320 CD1 TYR A 383 -4.647 1.483 6.529 1.00 0.40 C ATOM 321 CD2 TYR A 383 -3.594 -0.490 5.709 1.00 0.48 C ATOM 322 CE1 TYR A 383 -5.534 0.714 7.256 1.00 0.48 C ATOM 323 CE2 TYR A 383 -4.479 -1.268 6.432 1.00 0.55 C ATOM 324 CZ TYR A 383 -5.453 -0.681 7.174 1.00 0.52 C ATOM 325 OH TYR A 383 -6.328 -1.430 7.928 1.00 0.63 O ATOM 0 H TYR A 383 -3.388 4.240 5.384 1.00 0.30 H new ATOM 0 HA TYR A 383 -1.624 2.296 6.725 1.00 0.30 H new ATOM 0 HB2 TYR A 383 -3.236 2.265 4.167 1.00 0.32 H new ATOM 0 HB3 TYR A 383 -1.966 1.095 4.468 1.00 0.32 H new ATOM 0 HD1 TYR A 383 -4.719 2.560 6.571 1.00 0.40 H new ATOM 0 HD2 TYR A 383 -2.836 -0.969 5.107 1.00 0.48 H new ATOM 0 HE1 TYR A 383 -6.281 1.183 7.880 1.00 0.48 H new ATOM 0 HE2 TYR A 383 -4.396 -2.344 6.407 1.00 0.55 H new ATOM 0 HH TYR A 383 -6.160 -2.383 7.773 1.00 0.63 H new ATOM 335 N PHE A 384 0.440 2.656 5.272 1.00 0.31 N ATOM 336 CA PHE A 384 1.666 3.074 4.598 1.00 0.30 C ATOM 337 C PHE A 384 1.824 2.351 3.263 1.00 0.28 C ATOM 338 O PHE A 384 1.644 1.134 3.181 1.00 0.33 O ATOM 339 CB PHE A 384 2.884 2.825 5.489 1.00 0.40 C ATOM 340 CG PHE A 384 2.774 3.456 6.850 1.00 0.48 C ATOM 341 CD1 PHE A 384 2.048 2.839 7.858 1.00 0.83 C ATOM 342 CD2 PHE A 384 3.407 4.658 7.125 1.00 0.57 C ATOM 343 CE1 PHE A 384 1.953 3.413 9.111 1.00 0.96 C ATOM 344 CE2 PHE A 384 3.316 5.234 8.378 1.00 0.64 C ATOM 345 CZ PHE A 384 2.588 4.612 9.371 1.00 0.74 C ATOM 0 H PHE A 384 0.550 1.865 5.906 1.00 0.31 H new ATOM 0 HA PHE A 384 1.596 4.144 4.401 1.00 0.30 H new ATOM 0 HB2 PHE A 384 3.024 1.750 5.606 1.00 0.40 H new ATOM 0 HB3 PHE A 384 3.773 3.210 4.990 1.00 0.40 H new ATOM 0 HD1 PHE A 384 1.552 1.900 7.661 1.00 0.83 H new ATOM 0 HD2 PHE A 384 3.978 5.150 6.351 1.00 0.57 H new ATOM 0 HE1 PHE A 384 1.382 2.925 9.887 1.00 0.96 H new ATOM 0 HE2 PHE A 384 3.815 6.171 8.580 1.00 0.64 H new ATOM 0 HZ PHE A 384 2.515 5.062 10.350 1.00 0.74 H new ATOM 355 N ILE A 385 2.148 3.105 2.214 1.00 0.26 N ATOM 356 CA ILE A 385 2.314 2.532 0.880 1.00 0.27 C ATOM 357 C ILE A 385 3.747 2.685 0.379 1.00 0.24 C ATOM 358 O ILE A 385 4.404 3.690 0.646 1.00 0.30 O ATOM 359 CB ILE A 385 1.368 3.182 -0.160 1.00 0.33 C ATOM 360 CG1 ILE A 385 -0.095 3.120 0.291 1.00 0.32 C ATOM 361 CG2 ILE A 385 1.527 2.497 -1.511 1.00 0.49 C ATOM 362 CD1 ILE A 385 -0.412 4.011 1.466 1.00 0.32 C ATOM 0 H ILE A 385 2.301 4.112 2.262 1.00 0.26 H new ATOM 0 HA ILE A 385 2.065 1.476 0.981 1.00 0.27 H new ATOM 0 HB ILE A 385 1.645 4.232 -0.251 1.00 0.33 H new ATOM 0 HG12 ILE A 385 -0.735 3.398 -0.546 1.00 0.32 H new ATOM 0 HG13 ILE A 385 -0.341 2.091 0.552 1.00 0.32 H new ATOM 0 HG21 ILE A 385 0.858 2.961 -2.235 1.00 0.49 H new ATOM 0 HG22 ILE A 385 2.557 2.599 -1.852 1.00 0.49 H new ATOM 0 HG23 ILE A 385 1.280 1.440 -1.414 1.00 0.49 H new ATOM 0 HD11 ILE A 385 -1.466 3.911 1.725 1.00 0.32 H new ATOM 0 HD12 ILE A 385 0.200 3.720 2.319 1.00 0.32 H new ATOM 0 HD13 ILE A 385 -0.200 5.048 1.204 1.00 0.32 H new ATOM 374 N ARG A 386 4.217 1.687 -0.360 1.00 0.29 N ATOM 375 CA ARG A 386 5.565 1.711 -0.918 1.00 0.30 C ATOM 376 C ARG A 386 5.521 1.521 -2.432 1.00 0.33 C ATOM 377 O ARG A 386 5.317 0.410 -2.917 1.00 0.42 O ATOM 378 CB ARG A 386 6.420 0.612 -0.284 1.00 0.38 C ATOM 379 CG ARG A 386 7.822 0.517 -0.865 1.00 0.50 C ATOM 380 CD ARG A 386 8.619 -0.606 -0.220 1.00 1.02 C ATOM 381 NE ARG A 386 9.930 -0.782 -0.844 1.00 1.40 N ATOM 382 CZ ARG A 386 10.882 0.148 -0.847 1.00 1.86 C ATOM 383 NH1 ARG A 386 10.678 1.316 -0.253 1.00 2.42 N ATOM 384 NH2 ARG A 386 12.041 -0.091 -1.445 1.00 2.39 N ATOM 0 H ARG A 386 3.683 0.848 -0.588 1.00 0.29 H new ATOM 0 HA ARG A 386 6.010 2.681 -0.698 1.00 0.30 H new ATOM 0 HB2 ARG A 386 6.492 0.793 0.788 1.00 0.38 H new ATOM 0 HB3 ARG A 386 5.917 -0.347 -0.412 1.00 0.38 H new ATOM 0 HG2 ARG A 386 7.761 0.350 -1.940 1.00 0.50 H new ATOM 0 HG3 ARG A 386 8.342 1.464 -0.719 1.00 0.50 H new ATOM 0 HD2 ARG A 386 8.749 -0.394 0.841 1.00 1.02 H new ATOM 0 HD3 ARG A 386 8.056 -1.537 -0.292 1.00 1.02 H new ATOM 0 HE ARG A 386 10.126 -1.671 -1.304 1.00 1.40 H new ATOM 0 HH11 ARG A 386 9.788 1.505 0.209 1.00 2.42 H new ATOM 0 HH12 ARG A 386 11.411 2.026 -0.258 1.00 2.42 H new ATOM 0 HH21 ARG A 386 12.203 -0.988 -1.903 1.00 2.39 H new ATOM 0 HH22 ARG A 386 12.770 0.622 -1.447 1.00 2.39 H new ATOM 398 N ARG A 387 5.717 2.607 -3.177 1.00 0.41 N ATOM 399 CA ARG A 387 5.700 2.539 -4.636 1.00 0.51 C ATOM 400 C ARG A 387 6.859 1.689 -5.157 1.00 0.49 C ATOM 401 O ARG A 387 7.812 1.408 -4.430 1.00 0.47 O ATOM 402 CB ARG A 387 5.699 3.948 -5.246 1.00 0.63 C ATOM 403 CG ARG A 387 4.326 4.608 -5.180 1.00 0.84 C ATOM 404 CD ARG A 387 4.362 6.113 -5.444 1.00 0.94 C ATOM 405 NE ARG A 387 4.668 6.446 -6.835 1.00 1.32 N ATOM 406 CZ ARG A 387 5.897 6.511 -7.336 1.00 1.79 C ATOM 407 NH1 ARG A 387 6.949 6.300 -6.559 1.00 2.30 N ATOM 408 NH2 ARG A 387 6.076 6.808 -8.616 1.00 2.25 N ATOM 0 H ARG A 387 5.888 3.538 -2.798 1.00 0.41 H new ATOM 0 HA ARG A 387 4.778 2.049 -4.949 1.00 0.51 H new ATOM 0 HB2 ARG A 387 6.424 4.569 -4.720 1.00 0.63 H new ATOM 0 HB3 ARG A 387 6.023 3.891 -6.285 1.00 0.63 H new ATOM 0 HG2 ARG A 387 3.668 4.135 -5.909 1.00 0.84 H new ATOM 0 HG3 ARG A 387 3.892 4.430 -4.196 1.00 0.84 H new ATOM 0 HD2 ARG A 387 3.398 6.545 -5.177 1.00 0.94 H new ATOM 0 HD3 ARG A 387 5.108 6.572 -4.795 1.00 0.94 H new ATOM 0 HE ARG A 387 3.887 6.641 -7.461 1.00 1.32 H new ATOM 0 HH11 ARG A 387 6.818 6.086 -5.570 1.00 2.30 H new ATOM 0 HH12 ARG A 387 7.890 6.351 -6.949 1.00 2.30 H new ATOM 0 HH21 ARG A 387 5.270 6.986 -9.216 1.00 2.25 H new ATOM 0 HH22 ARG A 387 7.019 6.858 -9.001 1.00 2.25 H new ATOM 422 N GLU A 388 6.738 1.243 -6.404 1.00 0.64 N ATOM 423 CA GLU A 388 7.737 0.373 -7.027 1.00 0.69 C ATOM 424 C GLU A 388 9.167 0.886 -6.857 1.00 0.61 C ATOM 425 O GLU A 388 10.073 0.110 -6.549 1.00 0.63 O ATOM 426 CB GLU A 388 7.442 0.200 -8.521 1.00 0.88 C ATOM 427 CG GLU A 388 6.064 -0.373 -8.819 1.00 1.58 C ATOM 428 CD GLU A 388 4.961 0.666 -8.749 1.00 2.20 C ATOM 429 OE1 GLU A 388 5.279 1.867 -8.619 1.00 2.82 O ATOM 430 OE2 GLU A 388 3.777 0.280 -8.841 1.00 2.65 O ATOM 0 H GLU A 388 5.950 1.471 -7.010 1.00 0.64 H new ATOM 0 HA GLU A 388 7.666 -0.586 -6.513 1.00 0.69 H new ATOM 0 HB2 GLU A 388 7.536 1.168 -9.014 1.00 0.88 H new ATOM 0 HB3 GLU A 388 8.198 -0.454 -8.956 1.00 0.88 H new ATOM 0 HG2 GLU A 388 6.070 -0.821 -9.812 1.00 1.58 H new ATOM 0 HG3 GLU A 388 5.848 -1.172 -8.110 1.00 1.58 H new ATOM 437 N ASP A 389 9.378 2.177 -7.077 1.00 0.65 N ATOM 438 CA ASP A 389 10.714 2.755 -6.964 1.00 0.69 C ATOM 439 C ASP A 389 11.286 2.579 -5.557 1.00 0.64 C ATOM 440 O ASP A 389 12.490 2.383 -5.390 1.00 0.91 O ATOM 441 CB ASP A 389 10.690 4.236 -7.342 1.00 0.81 C ATOM 442 CG ASP A 389 10.024 5.090 -6.288 1.00 0.80 C ATOM 443 OD1 ASP A 389 8.889 4.761 -5.886 1.00 1.06 O ATOM 444 OD2 ASP A 389 10.638 6.092 -5.868 1.00 1.23 O ATOM 0 H ASP A 389 8.648 2.841 -7.333 1.00 0.65 H new ATOM 0 HA ASP A 389 11.363 2.221 -7.658 1.00 0.69 H new ATOM 0 HB2 ASP A 389 11.711 4.585 -7.496 1.00 0.81 H new ATOM 0 HB3 ASP A 389 10.165 4.358 -8.289 1.00 0.81 H new ATOM 449 N GLY A 390 10.421 2.653 -4.547 1.00 0.55 N ATOM 450 CA GLY A 390 10.873 2.503 -3.172 1.00 0.53 C ATOM 451 C GLY A 390 10.613 3.744 -2.339 1.00 0.55 C ATOM 452 O GLY A 390 11.477 4.185 -1.583 1.00 1.03 O ATOM 0 H GLY A 390 9.419 2.813 -4.655 1.00 0.55 H new ATOM 0 HA2 GLY A 390 10.368 1.651 -2.717 1.00 0.53 H new ATOM 0 HA3 GLY A 390 11.940 2.281 -3.165 1.00 0.53 H new ATOM 456 N THR A 391 9.418 4.306 -2.484 1.00 0.57 N ATOM 457 CA THR A 391 9.041 5.505 -1.746 1.00 0.54 C ATOM 458 C THR A 391 7.876 5.245 -0.804 1.00 0.41 C ATOM 459 O THR A 391 6.754 5.010 -1.247 1.00 0.44 O ATOM 460 CB THR A 391 8.651 6.658 -2.687 1.00 0.71 C ATOM 461 OG1 THR A 391 7.719 6.196 -3.672 1.00 0.98 O ATOM 462 CG2 THR A 391 9.873 7.245 -3.365 1.00 0.88 C ATOM 0 H THR A 391 8.693 3.950 -3.107 1.00 0.57 H new ATOM 0 HA THR A 391 9.922 5.788 -1.169 1.00 0.54 H new ATOM 0 HB THR A 391 8.184 7.440 -2.089 1.00 0.71 H new ATOM 0 HG1 THR A 391 8.184 5.630 -4.323 1.00 0.98 H new ATOM 0 HG21 THR A 391 9.568 8.058 -4.024 1.00 0.88 H new ATOM 0 HG22 THR A 391 10.559 7.628 -2.610 1.00 0.88 H new ATOM 0 HG23 THR A 391 10.372 6.472 -3.949 1.00 0.88 H new ATOM 470 N VAL A 392 8.139 5.308 0.495 1.00 0.37 N ATOM 471 CA VAL A 392 7.092 5.108 1.481 1.00 0.33 C ATOM 472 C VAL A 392 6.274 6.388 1.626 1.00 0.32 C ATOM 473 O VAL A 392 6.830 7.484 1.703 1.00 0.41 O ATOM 474 CB VAL A 392 7.663 4.688 2.849 1.00 0.45 C ATOM 475 CG1 VAL A 392 6.560 4.604 3.893 1.00 0.55 C ATOM 476 CG2 VAL A 392 8.387 3.353 2.730 1.00 0.52 C ATOM 0 H VAL A 392 9.063 5.495 0.886 1.00 0.37 H new ATOM 0 HA VAL A 392 6.452 4.298 1.131 1.00 0.33 H new ATOM 0 HB VAL A 392 8.377 5.446 3.171 1.00 0.45 H new ATOM 0 HG11 VAL A 392 6.987 4.306 4.850 1.00 0.55 H new ATOM 0 HG12 VAL A 392 6.082 5.578 3.997 1.00 0.55 H new ATOM 0 HG13 VAL A 392 5.819 3.868 3.581 1.00 0.55 H new ATOM 0 HG21 VAL A 392 8.786 3.067 3.703 1.00 0.52 H new ATOM 0 HG22 VAL A 392 7.689 2.590 2.386 1.00 0.52 H new ATOM 0 HG23 VAL A 392 9.205 3.445 2.016 1.00 0.52 H new ATOM 486 N HIS A 393 4.956 6.246 1.638 1.00 0.29 N ATOM 487 CA HIS A 393 4.062 7.394 1.745 1.00 0.31 C ATOM 488 C HIS A 393 2.706 6.981 2.306 1.00 0.27 C ATOM 489 O HIS A 393 2.125 5.981 1.885 1.00 0.26 O ATOM 490 CB HIS A 393 3.888 8.045 0.371 1.00 0.37 C ATOM 491 CG HIS A 393 4.028 7.077 -0.752 1.00 0.92 C ATOM 492 ND1 HIS A 393 3.293 5.916 -0.840 1.00 1.92 N ATOM 493 CD2 HIS A 393 4.844 7.088 -1.826 1.00 0.94 C ATOM 494 CE1 HIS A 393 3.656 5.252 -1.920 1.00 2.43 C ATOM 495 NE2 HIS A 393 4.598 5.941 -2.537 1.00 1.82 N ATOM 0 H HIS A 393 4.480 5.346 1.575 1.00 0.29 H new ATOM 0 HA HIS A 393 4.507 8.114 2.432 1.00 0.31 H new ATOM 0 HB2 HIS A 393 2.906 8.514 0.319 1.00 0.37 H new ATOM 0 HB3 HIS A 393 4.627 8.838 0.254 1.00 0.37 H new ATOM 0 HD1 HIS A 393 2.580 5.617 -0.175 1.00 1.92 H new ATOM 0 HD2 HIS A 393 5.559 7.857 -2.079 1.00 0.94 H new ATOM 0 HE1 HIS A 393 3.251 4.305 -2.245 1.00 2.43 H new ATOM 504 N ARG A 394 2.214 7.756 3.264 1.00 0.29 N ATOM 505 CA ARG A 394 0.933 7.479 3.901 1.00 0.28 C ATOM 506 C ARG A 394 -0.214 7.485 2.892 1.00 0.26 C ATOM 507 O ARG A 394 -0.209 8.249 1.927 1.00 0.32 O ATOM 508 CB ARG A 394 0.669 8.492 5.015 1.00 0.35 C ATOM 509 CG ARG A 394 1.633 8.360 6.185 1.00 0.42 C ATOM 510 CD ARG A 394 1.300 9.336 7.300 1.00 0.52 C ATOM 511 NE ARG A 394 2.187 9.183 8.450 1.00 1.34 N ATOM 512 CZ ARG A 394 2.076 9.897 9.568 1.00 2.01 C ATOM 513 NH1 ARG A 394 1.115 10.803 9.686 1.00 2.41 N ATOM 514 NH2 ARG A 394 2.924 9.702 10.569 1.00 2.96 N ATOM 0 H ARG A 394 2.687 8.587 3.619 1.00 0.29 H new ATOM 0 HA ARG A 394 0.985 6.479 4.332 1.00 0.28 H new ATOM 0 HB2 ARG A 394 0.740 9.500 4.606 1.00 0.35 H new ATOM 0 HB3 ARG A 394 -0.351 8.367 5.377 1.00 0.35 H new ATOM 0 HG2 ARG A 394 1.599 7.341 6.571 1.00 0.42 H new ATOM 0 HG3 ARG A 394 2.651 8.536 5.839 1.00 0.42 H new ATOM 0 HD2 ARG A 394 1.371 10.356 6.921 1.00 0.52 H new ATOM 0 HD3 ARG A 394 0.268 9.185 7.617 1.00 0.52 H new ATOM 0 HE ARG A 394 2.933 8.490 8.393 1.00 1.34 H new ATOM 0 HH11 ARG A 394 0.459 10.954 8.919 1.00 2.41 H new ATOM 0 HH12 ARG A 394 1.031 11.349 10.543 1.00 2.41 H new ATOM 0 HH21 ARG A 394 3.663 9.004 10.483 1.00 2.96 H new ATOM 0 HH22 ARG A 394 2.837 10.250 11.425 1.00 2.96 H new ATOM 528 N GLY A 395 -1.191 6.613 3.129 1.00 0.23 N ATOM 529 CA GLY A 395 -2.341 6.504 2.248 1.00 0.25 C ATOM 530 C GLY A 395 -3.387 5.546 2.794 1.00 0.23 C ATOM 531 O GLY A 395 -3.070 4.413 3.155 1.00 0.26 O ATOM 0 H GLY A 395 -1.205 5.974 3.924 1.00 0.23 H new ATOM 0 HA2 GLY A 395 -2.788 7.489 2.111 1.00 0.25 H new ATOM 0 HA3 GLY A 395 -2.014 6.163 1.266 1.00 0.25 H new ATOM 535 N GLN A 396 -4.634 5.997 2.860 1.00 0.29 N ATOM 536 CA GLN A 396 -5.718 5.163 3.371 1.00 0.34 C ATOM 537 C GLN A 396 -6.188 4.154 2.330 1.00 0.35 C ATOM 538 O GLN A 396 -6.505 4.520 1.205 1.00 0.46 O ATOM 539 CB GLN A 396 -6.909 6.025 3.793 1.00 0.43 C ATOM 540 CG GLN A 396 -6.578 7.065 4.844 1.00 0.50 C ATOM 541 CD GLN A 396 -7.816 7.755 5.382 1.00 0.64 C ATOM 542 OE1 GLN A 396 -8.791 7.101 5.752 1.00 1.28 O ATOM 543 NE2 GLN A 396 -7.778 9.079 5.446 1.00 0.61 N ATOM 0 H GLN A 396 -4.920 6.931 2.568 1.00 0.29 H new ATOM 0 HA GLN A 396 -5.325 4.624 4.234 1.00 0.34 H new ATOM 0 HB2 GLN A 396 -7.310 6.528 2.913 1.00 0.43 H new ATOM 0 HB3 GLN A 396 -7.697 5.376 4.175 1.00 0.43 H new ATOM 0 HG2 GLN A 396 -6.044 6.590 5.666 1.00 0.50 H new ATOM 0 HG3 GLN A 396 -5.907 7.810 4.416 1.00 0.50 H new ATOM 0 HE21 GLN A 396 -6.949 9.581 5.128 1.00 0.61 H new ATOM 0 HE22 GLN A 396 -8.578 9.595 5.813 1.00 0.61 H new ATOM 552 N VAL A 397 -6.273 2.889 2.724 1.00 0.33 N ATOM 553 CA VAL A 397 -6.756 1.847 1.827 1.00 0.33 C ATOM 554 C VAL A 397 -8.277 1.743 1.936 1.00 0.33 C ATOM 555 O VAL A 397 -8.828 1.734 3.037 1.00 0.37 O ATOM 556 CB VAL A 397 -6.074 0.488 2.114 1.00 0.38 C ATOM 557 CG1 VAL A 397 -7.069 -0.566 2.573 1.00 0.73 C ATOM 558 CG2 VAL A 397 -5.332 0.006 0.881 1.00 0.83 C ATOM 0 H VAL A 397 -6.015 2.561 3.655 1.00 0.33 H new ATOM 0 HA VAL A 397 -6.495 2.118 0.804 1.00 0.33 H new ATOM 0 HB VAL A 397 -5.365 0.643 2.928 1.00 0.38 H new ATOM 0 HG11 VAL A 397 -6.545 -1.503 2.762 1.00 0.73 H new ATOM 0 HG12 VAL A 397 -7.557 -0.232 3.488 1.00 0.73 H new ATOM 0 HG13 VAL A 397 -7.819 -0.720 1.798 1.00 0.73 H new ATOM 0 HG21 VAL A 397 -4.856 -0.951 1.094 1.00 0.83 H new ATOM 0 HG22 VAL A 397 -6.035 -0.114 0.057 1.00 0.83 H new ATOM 0 HG23 VAL A 397 -4.571 0.736 0.605 1.00 0.83 H new ATOM 568 N LEU A 398 -8.955 1.713 0.792 1.00 0.36 N ATOM 569 CA LEU A 398 -10.413 1.664 0.780 1.00 0.40 C ATOM 570 C LEU A 398 -10.956 0.289 0.392 1.00 0.41 C ATOM 571 O LEU A 398 -11.845 -0.242 1.057 1.00 0.47 O ATOM 572 CB LEU A 398 -10.974 2.714 -0.184 1.00 0.46 C ATOM 573 CG LEU A 398 -10.707 4.175 0.193 1.00 0.49 C ATOM 574 CD1 LEU A 398 -9.222 4.473 0.165 1.00 1.16 C ATOM 575 CD2 LEU A 398 -11.461 5.110 -0.740 1.00 1.45 C ATOM 0 H LEU A 398 -8.522 1.722 -0.132 1.00 0.36 H new ATOM 0 HA LEU A 398 -10.737 1.874 1.799 1.00 0.40 H new ATOM 0 HB2 LEU A 398 -10.556 2.532 -1.174 1.00 0.46 H new ATOM 0 HB3 LEU A 398 -12.052 2.570 -0.262 1.00 0.46 H new ATOM 0 HG LEU A 398 -11.066 4.339 1.209 1.00 0.49 H new ATOM 0 HD11 LEU A 398 -9.055 5.516 0.436 1.00 1.16 H new ATOM 0 HD12 LEU A 398 -8.708 3.827 0.876 1.00 1.16 H new ATOM 0 HD13 LEU A 398 -8.833 4.292 -0.837 1.00 1.16 H new ATOM 0 HD21 LEU A 398 -11.261 6.144 -0.459 1.00 1.45 H new ATOM 0 HD22 LEU A 398 -11.133 4.943 -1.766 1.00 1.45 H new ATOM 0 HD23 LEU A 398 -12.531 4.914 -0.665 1.00 1.45 H new ATOM 587 N GLN A 399 -10.446 -0.265 -0.704 1.00 0.39 N ATOM 588 CA GLN A 399 -10.916 -1.559 -1.199 1.00 0.43 C ATOM 589 C GLN A 399 -9.778 -2.394 -1.775 1.00 0.38 C ATOM 590 O GLN A 399 -8.634 -1.955 -1.823 1.00 0.35 O ATOM 591 CB GLN A 399 -11.982 -1.349 -2.278 1.00 0.49 C ATOM 592 CG GLN A 399 -13.256 -0.690 -1.773 1.00 0.60 C ATOM 593 CD GLN A 399 -14.006 -1.551 -0.776 1.00 1.36 C ATOM 594 OE1 GLN A 399 -14.350 -2.698 -1.063 1.00 2.08 O ATOM 595 NE2 GLN A 399 -14.272 -0.998 0.402 1.00 2.04 N ATOM 0 H GLN A 399 -9.709 0.159 -1.267 1.00 0.39 H new ATOM 0 HA GLN A 399 -11.339 -2.099 -0.352 1.00 0.43 H new ATOM 0 HB2 GLN A 399 -11.561 -0.737 -3.075 1.00 0.49 H new ATOM 0 HB3 GLN A 399 -12.234 -2.314 -2.717 1.00 0.49 H new ATOM 0 HG2 GLN A 399 -13.007 0.264 -1.308 1.00 0.60 H new ATOM 0 HG3 GLN A 399 -13.907 -0.471 -2.620 1.00 0.60 H new ATOM 0 HE21 GLN A 399 -13.968 -0.044 0.598 1.00 2.04 H new ATOM 0 HE22 GLN A 399 -14.780 -1.527 1.111 1.00 2.04 H new ATOM 604 N SER A 400 -10.115 -3.606 -2.211 1.00 0.42 N ATOM 605 CA SER A 400 -9.142 -4.522 -2.800 1.00 0.41 C ATOM 606 C SER A 400 -9.821 -5.403 -3.845 1.00 0.47 C ATOM 607 O SER A 400 -11.012 -5.695 -3.734 1.00 0.54 O ATOM 608 CB SER A 400 -8.493 -5.390 -1.722 1.00 0.47 C ATOM 609 OG SER A 400 -9.449 -6.223 -1.090 1.00 0.56 O ATOM 0 H SER A 400 -11.064 -3.978 -2.166 1.00 0.42 H new ATOM 0 HA SER A 400 -8.361 -3.933 -3.282 1.00 0.41 H new ATOM 0 HB2 SER A 400 -7.710 -6.004 -2.168 1.00 0.47 H new ATOM 0 HB3 SER A 400 -8.014 -4.753 -0.979 1.00 0.47 H new ATOM 0 HG SER A 400 -9.007 -6.768 -0.406 1.00 0.56 H new ATOM 615 N ARG A 401 -9.075 -5.813 -4.873 1.00 0.51 N ATOM 616 CA ARG A 401 -9.649 -6.640 -5.931 1.00 0.60 C ATOM 617 C ARG A 401 -8.585 -7.422 -6.699 1.00 0.73 C ATOM 618 O ARG A 401 -7.523 -6.894 -7.034 1.00 0.86 O ATOM 619 CB ARG A 401 -10.421 -5.760 -6.919 1.00 0.65 C ATOM 620 CG ARG A 401 -9.516 -4.926 -7.816 1.00 0.72 C ATOM 621 CD ARG A 401 -10.304 -4.101 -8.818 1.00 0.91 C ATOM 622 NE ARG A 401 -9.424 -3.427 -9.770 1.00 1.02 N ATOM 623 CZ ARG A 401 -9.849 -2.591 -10.711 1.00 1.25 C ATOM 624 NH1 ARG A 401 -11.143 -2.320 -10.829 1.00 1.55 N ATOM 625 NH2 ARG A 401 -8.979 -2.023 -11.535 1.00 1.43 N ATOM 0 H ARG A 401 -8.087 -5.589 -4.993 1.00 0.51 H new ATOM 0 HA ARG A 401 -10.315 -7.356 -5.449 1.00 0.60 H new ATOM 0 HB2 ARG A 401 -11.054 -6.393 -7.541 1.00 0.65 H new ATOM 0 HB3 ARG A 401 -11.082 -5.095 -6.363 1.00 0.65 H new ATOM 0 HG2 ARG A 401 -8.908 -4.263 -7.200 1.00 0.72 H new ATOM 0 HG3 ARG A 401 -8.830 -5.584 -8.349 1.00 0.72 H new ATOM 0 HD2 ARG A 401 -10.997 -4.747 -9.357 1.00 0.91 H new ATOM 0 HD3 ARG A 401 -10.904 -3.361 -8.289 1.00 0.91 H new ATOM 0 HE ARG A 401 -8.422 -3.609 -9.708 1.00 1.02 H new ATOM 0 HH11 ARG A 401 -11.815 -2.754 -10.196 1.00 1.55 H new ATOM 0 HH12 ARG A 401 -11.466 -1.678 -11.553 1.00 1.55 H new ATOM 0 HH21 ARG A 401 -7.984 -2.228 -11.446 1.00 1.43 H new ATOM 0 HH22 ARG A 401 -9.305 -1.381 -12.258 1.00 1.43 H new ATOM 639 N THR A 402 -8.901 -8.676 -7.005 1.00 0.82 N ATOM 640 CA THR A 402 -8.011 -9.536 -7.775 1.00 0.99 C ATOM 641 C THR A 402 -8.274 -9.341 -9.261 1.00 1.16 C ATOM 642 O THR A 402 -9.426 -9.222 -9.680 1.00 1.79 O ATOM 643 CB THR A 402 -8.218 -11.019 -7.424 1.00 1.14 C ATOM 644 OG1 THR A 402 -9.591 -11.383 -7.612 1.00 1.38 O ATOM 645 CG2 THR A 402 -7.806 -11.299 -5.991 1.00 1.29 C ATOM 0 H THR A 402 -9.775 -9.122 -6.728 1.00 0.82 H new ATOM 0 HA THR A 402 -6.985 -9.261 -7.529 1.00 0.99 H new ATOM 0 HB THR A 402 -7.592 -11.615 -8.088 1.00 1.14 H new ATOM 0 HG1 THR A 402 -9.712 -12.329 -7.388 1.00 1.38 H new ATOM 0 HG21 THR A 402 -7.962 -12.354 -5.767 1.00 1.29 H new ATOM 0 HG22 THR A 402 -6.752 -11.052 -5.860 1.00 1.29 H new ATOM 0 HG23 THR A 402 -8.407 -10.692 -5.314 1.00 1.29 H new ATOM 653 N THR A 403 -7.214 -9.300 -10.053 1.00 1.43 N ATOM 654 CA THR A 403 -7.353 -9.112 -11.492 1.00 1.62 C ATOM 655 C THR A 403 -8.175 -10.252 -12.108 1.00 1.84 C ATOM 656 O THR A 403 -8.712 -11.096 -11.390 1.00 1.85 O ATOM 657 CB THR A 403 -5.973 -9.027 -12.169 1.00 1.77 C ATOM 658 OG1 THR A 403 -5.079 -8.268 -11.346 1.00 1.78 O ATOM 659 CG2 THR A 403 -6.070 -8.357 -13.532 1.00 1.95 C ATOM 0 H THR A 403 -6.252 -9.394 -9.728 1.00 1.43 H new ATOM 0 HA THR A 403 -7.878 -8.172 -11.660 1.00 1.62 H new ATOM 0 HB THR A 403 -5.600 -10.043 -12.301 1.00 1.77 H new ATOM 0 HG1 THR A 403 -4.201 -8.217 -11.778 1.00 1.78 H new ATOM 0 HG21 THR A 403 -5.080 -8.311 -13.986 1.00 1.95 H new ATOM 0 HG22 THR A 403 -6.737 -8.932 -14.174 1.00 1.95 H new ATOM 0 HG23 THR A 403 -6.462 -7.347 -13.414 1.00 1.95 H new ATOM 667 N GLU A 404 -8.284 -10.263 -13.434 1.00 2.08 N ATOM 668 CA GLU A 404 -9.054 -11.286 -14.139 1.00 2.34 C ATOM 669 C GLU A 404 -8.664 -12.694 -13.697 1.00 2.30 C ATOM 670 O GLU A 404 -9.525 -13.557 -13.521 1.00 2.37 O ATOM 671 CB GLU A 404 -8.859 -11.145 -15.650 1.00 2.72 C ATOM 672 CG GLU A 404 -9.296 -9.795 -16.201 1.00 2.91 C ATOM 673 CD GLU A 404 -10.788 -9.551 -16.056 1.00 3.42 C ATOM 674 OE1 GLU A 404 -11.499 -10.460 -15.577 1.00 3.79 O ATOM 675 OE2 GLU A 404 -11.245 -8.450 -16.431 1.00 3.87 O ATOM 0 H GLU A 404 -7.847 -9.572 -14.045 1.00 2.08 H new ATOM 0 HA GLU A 404 -10.104 -11.135 -13.890 1.00 2.34 H new ATOM 0 HB2 GLU A 404 -7.807 -11.301 -15.888 1.00 2.72 H new ATOM 0 HB3 GLU A 404 -9.420 -11.932 -16.155 1.00 2.72 H new ATOM 0 HG2 GLU A 404 -8.752 -9.004 -15.684 1.00 2.91 H new ATOM 0 HG3 GLU A 404 -9.024 -9.733 -17.255 1.00 2.91 H new ATOM 682 N ASN A 405 -7.366 -12.926 -13.528 1.00 2.26 N ATOM 683 CA ASN A 405 -6.874 -14.237 -13.116 1.00 2.30 C ATOM 684 C ASN A 405 -7.467 -14.648 -11.770 1.00 2.07 C ATOM 685 O ASN A 405 -7.979 -15.758 -11.622 1.00 2.40 O ATOM 686 CB ASN A 405 -5.348 -14.231 -13.035 1.00 2.43 C ATOM 687 CG ASN A 405 -4.784 -15.595 -12.695 1.00 2.67 C ATOM 688 OD1 ASN A 405 -5.008 -16.569 -13.415 1.00 3.16 O ATOM 689 ND2 ASN A 405 -4.043 -15.674 -11.597 1.00 2.73 N ATOM 0 H ASN A 405 -6.638 -12.226 -13.669 1.00 2.26 H new ATOM 0 HA ASN A 405 -7.188 -14.964 -13.865 1.00 2.30 H new ATOM 0 HB2 ASN A 405 -4.937 -13.898 -13.988 1.00 2.43 H new ATOM 0 HB3 ASN A 405 -5.029 -13.511 -12.282 1.00 2.43 H new ATOM 0 HD21 ASN A 405 -3.634 -16.567 -11.321 1.00 2.73 H new ATOM 0 HD22 ASN A 405 -3.883 -14.842 -11.029 1.00 2.73 H new ATOM 696 N ALA A 406 -7.394 -13.746 -10.796 1.00 1.82 N ATOM 697 CA ALA A 406 -7.924 -14.008 -9.460 1.00 1.67 C ATOM 698 C ALA A 406 -7.376 -15.313 -8.887 1.00 1.85 C ATOM 699 O ALA A 406 -8.122 -16.144 -8.369 1.00 2.18 O ATOM 700 CB ALA A 406 -9.444 -14.030 -9.484 1.00 1.72 C ATOM 0 H ALA A 406 -6.972 -12.824 -10.907 1.00 1.82 H new ATOM 0 HA ALA A 406 -7.597 -13.198 -8.808 1.00 1.67 H new ATOM 0 HB1 ALA A 406 -9.821 -14.226 -8.480 1.00 1.72 H new ATOM 0 HB2 ALA A 406 -9.816 -13.065 -9.829 1.00 1.72 H new ATOM 0 HB3 ALA A 406 -9.786 -14.814 -10.160 1.00 1.72 H new ATOM 706 N ALA A 407 -6.062 -15.472 -8.978 1.00 1.91 N ATOM 707 CA ALA A 407 -5.383 -16.658 -8.467 1.00 2.19 C ATOM 708 C ALA A 407 -4.015 -16.268 -7.933 1.00 2.37 C ATOM 709 O ALA A 407 -3.174 -17.116 -7.632 1.00 2.77 O ATOM 710 CB ALA A 407 -5.251 -17.708 -9.560 1.00 2.38 C ATOM 0 H ALA A 407 -5.439 -14.787 -9.406 1.00 1.91 H new ATOM 0 HA ALA A 407 -5.973 -17.087 -7.657 1.00 2.19 H new ATOM 0 HB1 ALA A 407 -4.742 -18.586 -9.162 1.00 2.38 H new ATOM 0 HB2 ALA A 407 -6.242 -17.992 -9.913 1.00 2.38 H new ATOM 0 HB3 ALA A 407 -4.674 -17.299 -10.389 1.00 2.38 H new ATOM 716 N ALA A 408 -3.818 -14.960 -7.829 1.00 2.15 N ATOM 717 CA ALA A 408 -2.576 -14.375 -7.346 1.00 2.35 C ATOM 718 C ALA A 408 -2.678 -12.848 -7.356 1.00 2.05 C ATOM 719 O ALA A 408 -2.342 -12.194 -6.368 1.00 1.99 O ATOM 720 CB ALA A 408 -1.394 -14.840 -8.187 1.00 2.76 C ATOM 0 H ALA A 408 -4.525 -14.269 -8.081 1.00 2.15 H new ATOM 0 HA ALA A 408 -2.410 -14.709 -6.322 1.00 2.35 H new ATOM 0 HB1 ALA A 408 -0.477 -14.389 -7.807 1.00 2.76 H new ATOM 0 HB2 ALA A 408 -1.314 -15.926 -8.133 1.00 2.76 H new ATOM 0 HB3 ALA A 408 -1.544 -14.538 -9.224 1.00 2.76 H new ATOM 726 N PRO A 409 -3.155 -12.255 -8.476 1.00 1.99 N ATOM 727 CA PRO A 409 -3.307 -10.800 -8.596 1.00 1.80 C ATOM 728 C PRO A 409 -4.211 -10.219 -7.522 1.00 1.41 C ATOM 729 O PRO A 409 -5.197 -10.835 -7.127 1.00 1.86 O ATOM 730 CB PRO A 409 -3.935 -10.609 -9.980 1.00 2.10 C ATOM 731 CG PRO A 409 -3.599 -11.848 -10.729 1.00 2.49 C ATOM 732 CD PRO A 409 -3.586 -12.946 -9.708 1.00 2.27 C ATOM 0 HA PRO A 409 -2.353 -10.287 -8.474 1.00 1.80 H new ATOM 0 HB2 PRO A 409 -5.014 -10.471 -9.908 1.00 2.10 H new ATOM 0 HB3 PRO A 409 -3.533 -9.726 -10.477 1.00 2.10 H new ATOM 0 HG2 PRO A 409 -4.335 -12.046 -11.508 1.00 2.49 H new ATOM 0 HG3 PRO A 409 -2.630 -11.758 -11.220 1.00 2.49 H new ATOM 0 HD2 PRO A 409 -4.570 -13.400 -9.592 1.00 2.27 H new ATOM 0 HD3 PRO A 409 -2.897 -13.745 -9.984 1.00 2.27 H new ATOM 740 N ASP A 410 -3.860 -9.027 -7.058 1.00 0.92 N ATOM 741 CA ASP A 410 -4.630 -8.344 -6.029 1.00 0.79 C ATOM 742 C ASP A 410 -4.137 -6.912 -5.862 1.00 0.68 C ATOM 743 O ASP A 410 -2.932 -6.656 -5.850 1.00 0.93 O ATOM 744 CB ASP A 410 -4.544 -9.105 -4.701 1.00 1.18 C ATOM 745 CG ASP A 410 -3.116 -9.310 -4.231 1.00 1.62 C ATOM 746 OD1 ASP A 410 -2.435 -8.301 -3.952 1.00 2.14 O ATOM 747 OD2 ASP A 410 -2.678 -10.475 -4.144 1.00 1.99 O ATOM 0 H ASP A 410 -3.042 -8.511 -7.381 1.00 0.92 H new ATOM 0 HA ASP A 410 -5.675 -8.314 -6.338 1.00 0.79 H new ATOM 0 HB2 ASP A 410 -5.098 -8.558 -3.938 1.00 1.18 H new ATOM 0 HB3 ASP A 410 -5.028 -10.075 -4.812 1.00 1.18 H new ATOM 752 N GLU A 411 -5.074 -5.979 -5.753 1.00 0.54 N ATOM 753 CA GLU A 411 -4.736 -4.568 -5.606 1.00 0.45 C ATOM 754 C GLU A 411 -5.673 -3.886 -4.623 1.00 0.40 C ATOM 755 O GLU A 411 -6.885 -4.083 -4.670 1.00 0.42 O ATOM 756 CB GLU A 411 -4.815 -3.863 -6.957 1.00 0.49 C ATOM 757 CG GLU A 411 -3.788 -4.354 -7.963 1.00 0.58 C ATOM 758 CD GLU A 411 -2.369 -3.975 -7.584 1.00 1.47 C ATOM 759 OE1 GLU A 411 -2.095 -2.765 -7.442 1.00 2.10 O ATOM 760 OE2 GLU A 411 -1.530 -4.889 -7.435 1.00 2.08 O ATOM 0 H GLU A 411 -6.075 -6.174 -5.764 1.00 0.54 H new ATOM 0 HA GLU A 411 -3.718 -4.504 -5.222 1.00 0.45 H new ATOM 0 HB2 GLU A 411 -5.813 -4.003 -7.372 1.00 0.49 H new ATOM 0 HB3 GLU A 411 -4.680 -2.792 -6.806 1.00 0.49 H new ATOM 0 HG2 GLU A 411 -3.859 -5.438 -8.049 1.00 0.58 H new ATOM 0 HG3 GLU A 411 -4.020 -3.940 -8.944 1.00 0.58 H new ATOM 767 N TYR A 412 -5.104 -3.086 -3.733 1.00 0.38 N ATOM 768 CA TYR A 412 -5.891 -2.378 -2.736 1.00 0.35 C ATOM 769 C TYR A 412 -5.936 -0.882 -3.029 1.00 0.33 C ATOM 770 O TYR A 412 -4.906 -0.209 -3.037 1.00 0.34 O ATOM 771 CB TYR A 412 -5.313 -2.610 -1.334 1.00 0.39 C ATOM 772 CG TYR A 412 -5.381 -4.048 -0.860 1.00 0.45 C ATOM 773 CD1 TYR A 412 -4.890 -5.089 -1.640 1.00 0.50 C ATOM 774 CD2 TYR A 412 -5.934 -4.362 0.376 1.00 0.53 C ATOM 775 CE1 TYR A 412 -4.953 -6.399 -1.205 1.00 0.58 C ATOM 776 CE2 TYR A 412 -5.999 -5.670 0.818 1.00 0.61 C ATOM 777 CZ TYR A 412 -5.508 -6.683 0.024 1.00 0.62 C ATOM 778 OH TYR A 412 -5.573 -7.985 0.461 1.00 0.72 O ATOM 0 H TYR A 412 -4.100 -2.911 -3.681 1.00 0.38 H new ATOM 0 HA TYR A 412 -6.907 -2.770 -2.777 1.00 0.35 H new ATOM 0 HB2 TYR A 412 -4.272 -2.286 -1.325 1.00 0.39 H new ATOM 0 HB3 TYR A 412 -5.849 -1.980 -0.624 1.00 0.39 H new ATOM 0 HD1 TYR A 412 -4.452 -4.870 -2.602 1.00 0.50 H new ATOM 0 HD2 TYR A 412 -6.319 -3.571 1.002 1.00 0.53 H new ATOM 0 HE1 TYR A 412 -4.569 -7.196 -1.825 1.00 0.58 H new ATOM 0 HE2 TYR A 412 -6.432 -5.897 1.781 1.00 0.61 H new ATOM 0 HH TYR A 412 -5.991 -8.012 1.347 1.00 0.72 H new ATOM 788 N TYR A 413 -7.142 -0.366 -3.247 1.00 0.33 N ATOM 789 CA TYR A 413 -7.335 1.054 -3.513 1.00 0.32 C ATOM 790 C TYR A 413 -6.766 1.863 -2.358 1.00 0.32 C ATOM 791 O TYR A 413 -6.812 1.417 -1.214 1.00 0.40 O ATOM 792 CB TYR A 413 -8.824 1.357 -3.670 1.00 0.36 C ATOM 793 CG TYR A 413 -9.117 2.751 -4.184 1.00 0.38 C ATOM 794 CD1 TYR A 413 -8.378 3.300 -5.225 1.00 0.40 C ATOM 795 CD2 TYR A 413 -10.130 3.521 -3.623 1.00 0.44 C ATOM 796 CE1 TYR A 413 -8.640 4.572 -5.693 1.00 0.44 C ATOM 797 CE2 TYR A 413 -10.398 4.795 -4.086 1.00 0.48 C ATOM 798 CZ TYR A 413 -9.656 5.310 -5.136 1.00 0.46 C ATOM 799 OH TYR A 413 -9.914 6.585 -5.586 1.00 0.51 O ATOM 0 H TYR A 413 -8.003 -0.913 -3.244 1.00 0.33 H new ATOM 0 HA TYR A 413 -6.820 1.322 -4.436 1.00 0.32 H new ATOM 0 HB2 TYR A 413 -9.263 0.629 -4.353 1.00 0.36 H new ATOM 0 HB3 TYR A 413 -9.315 1.226 -2.706 1.00 0.36 H new ATOM 0 HD1 TYR A 413 -7.585 2.722 -5.676 1.00 0.40 H new ATOM 0 HD2 TYR A 413 -10.717 3.116 -2.812 1.00 0.44 H new ATOM 0 HE1 TYR A 413 -8.047 4.986 -6.495 1.00 0.44 H new ATOM 0 HE2 TYR A 413 -11.181 5.385 -3.632 1.00 0.48 H new ATOM 0 HH TYR A 413 -10.666 6.963 -5.084 1.00 0.51 H new ATOM 809 N VAL A 414 -6.216 3.039 -2.640 1.00 0.33 N ATOM 810 CA VAL A 414 -5.640 3.844 -1.574 1.00 0.33 C ATOM 811 C VAL A 414 -5.612 5.335 -1.895 1.00 0.29 C ATOM 812 O VAL A 414 -5.120 5.757 -2.942 1.00 0.38 O ATOM 813 CB VAL A 414 -4.205 3.375 -1.257 1.00 0.39 C ATOM 814 CG1 VAL A 414 -3.293 3.573 -2.459 1.00 1.09 C ATOM 815 CG2 VAL A 414 -3.654 4.100 -0.040 1.00 1.15 C ATOM 0 H VAL A 414 -6.158 3.447 -3.573 1.00 0.33 H new ATOM 0 HA VAL A 414 -6.288 3.703 -0.709 1.00 0.33 H new ATOM 0 HB VAL A 414 -4.242 2.310 -1.029 1.00 0.39 H new ATOM 0 HG11 VAL A 414 -2.287 3.235 -2.212 1.00 1.09 H new ATOM 0 HG12 VAL A 414 -3.672 2.996 -3.302 1.00 1.09 H new ATOM 0 HG13 VAL A 414 -3.266 4.630 -2.725 1.00 1.09 H new ATOM 0 HG21 VAL A 414 -2.641 3.752 0.163 1.00 1.15 H new ATOM 0 HG22 VAL A 414 -3.637 5.173 -0.232 1.00 1.15 H new ATOM 0 HG23 VAL A 414 -4.288 3.896 0.823 1.00 1.15 H new ATOM 825 N HIS A 415 -6.118 6.129 -0.956 1.00 0.33 N ATOM 826 CA HIS A 415 -6.126 7.578 -1.090 1.00 0.32 C ATOM 827 C HIS A 415 -5.000 8.162 -0.248 1.00 0.32 C ATOM 828 O HIS A 415 -5.030 8.073 0.979 1.00 0.34 O ATOM 829 CB HIS A 415 -7.468 8.151 -0.632 1.00 0.37 C ATOM 830 CG HIS A 415 -7.565 9.638 -0.781 1.00 0.44 C ATOM 831 ND1 HIS A 415 -7.395 10.288 -1.986 1.00 0.50 N ATOM 832 CD2 HIS A 415 -7.812 10.607 0.134 1.00 0.54 C ATOM 833 CE1 HIS A 415 -7.532 11.589 -1.807 1.00 0.60 C ATOM 834 NE2 HIS A 415 -7.787 11.808 -0.530 1.00 0.62 N ATOM 0 H HIS A 415 -6.531 5.787 -0.088 1.00 0.33 H new ATOM 0 HA HIS A 415 -5.979 7.841 -2.137 1.00 0.32 H new ATOM 0 HB2 HIS A 415 -8.268 7.683 -1.205 1.00 0.37 H new ATOM 0 HB3 HIS A 415 -7.629 7.887 0.413 1.00 0.37 H new ATOM 0 HD1 HIS A 415 -7.195 9.834 -2.877 1.00 0.50 H new ATOM 0 HD2 HIS A 415 -7.994 10.461 1.188 1.00 0.54 H new ATOM 0 HE1 HIS A 415 -7.450 12.345 -2.574 1.00 0.60 H new ATOM 843 N TYR A 416 -4.002 8.745 -0.900 1.00 0.37 N ATOM 844 CA TYR A 416 -2.874 9.318 -0.181 1.00 0.40 C ATOM 845 C TYR A 416 -3.325 10.438 0.743 1.00 0.45 C ATOM 846 O TYR A 416 -4.106 11.309 0.360 1.00 0.57 O ATOM 847 CB TYR A 416 -1.800 9.801 -1.153 1.00 0.46 C ATOM 848 CG TYR A 416 -1.123 8.664 -1.883 1.00 0.47 C ATOM 849 CD1 TYR A 416 -1.736 8.038 -2.961 1.00 0.53 C ATOM 850 CD2 TYR A 416 0.129 8.214 -1.490 1.00 0.51 C ATOM 851 CE1 TYR A 416 -1.120 6.996 -3.626 1.00 0.59 C ATOM 852 CE2 TYR A 416 0.752 7.172 -2.150 1.00 0.54 C ATOM 853 CZ TYR A 416 0.124 6.567 -3.217 1.00 0.57 C ATOM 854 OH TYR A 416 0.741 5.528 -3.876 1.00 0.65 O ATOM 0 H TYR A 416 -3.951 8.833 -1.915 1.00 0.37 H new ATOM 0 HA TYR A 416 -2.437 8.536 0.440 1.00 0.40 H new ATOM 0 HB2 TYR A 416 -2.250 10.477 -1.880 1.00 0.46 H new ATOM 0 HB3 TYR A 416 -1.051 10.374 -0.606 1.00 0.46 H new ATOM 0 HD1 TYR A 416 -2.711 8.372 -3.285 1.00 0.53 H new ATOM 0 HD2 TYR A 416 0.625 8.686 -0.655 1.00 0.51 H new ATOM 0 HE1 TYR A 416 -1.611 6.520 -4.462 1.00 0.59 H new ATOM 0 HE2 TYR A 416 1.727 6.833 -1.831 1.00 0.54 H new ATOM 0 HH TYR A 416 1.713 5.641 -3.827 1.00 0.65 H new ATOM 864 N VAL A 417 -2.841 10.382 1.977 1.00 0.45 N ATOM 865 CA VAL A 417 -3.195 11.359 2.999 1.00 0.55 C ATOM 866 C VAL A 417 -2.414 12.658 2.822 1.00 0.66 C ATOM 867 O VAL A 417 -2.172 13.385 3.786 1.00 1.34 O ATOM 868 CB VAL A 417 -2.917 10.788 4.404 1.00 0.68 C ATOM 869 CG1 VAL A 417 -3.865 11.376 5.437 1.00 1.10 C ATOM 870 CG2 VAL A 417 -3.013 9.274 4.379 1.00 1.01 C ATOM 0 H VAL A 417 -2.194 9.661 2.297 1.00 0.45 H new ATOM 0 HA VAL A 417 -4.258 11.574 2.892 1.00 0.55 H new ATOM 0 HB VAL A 417 -1.905 11.069 4.694 1.00 0.68 H new ATOM 0 HG11 VAL A 417 -3.643 10.953 6.417 1.00 1.10 H new ATOM 0 HG12 VAL A 417 -3.739 12.458 5.472 1.00 1.10 H new ATOM 0 HG13 VAL A 417 -4.893 11.139 5.164 1.00 1.10 H new ATOM 0 HG21 VAL A 417 -2.815 8.880 5.376 1.00 1.01 H new ATOM 0 HG22 VAL A 417 -4.014 8.978 4.064 1.00 1.01 H new ATOM 0 HG23 VAL A 417 -2.279 8.874 3.679 1.00 1.01 H new ATOM 880 N GLY A 418 -2.025 12.947 1.584 1.00 0.71 N ATOM 881 CA GLY A 418 -1.279 14.163 1.313 1.00 0.82 C ATOM 882 C GLY A 418 -0.767 14.248 -0.115 1.00 0.72 C ATOM 883 O GLY A 418 -0.837 15.306 -0.740 1.00 0.76 O ATOM 0 H GLY A 418 -2.212 12.365 0.768 1.00 0.71 H new ATOM 0 HA2 GLY A 418 -1.916 15.024 1.515 1.00 0.82 H new ATOM 0 HA3 GLY A 418 -0.434 14.223 1.999 1.00 0.82 H new ATOM 887 N LEU A 419 -0.241 13.139 -0.624 1.00 0.66 N ATOM 888 CA LEU A 419 0.297 13.102 -1.982 1.00 0.60 C ATOM 889 C LEU A 419 -0.767 13.450 -3.017 1.00 0.59 C ATOM 890 O LEU A 419 -1.958 13.230 -2.802 1.00 0.76 O ATOM 891 CB LEU A 419 0.903 11.730 -2.297 1.00 0.58 C ATOM 892 CG LEU A 419 2.214 11.409 -1.571 1.00 0.78 C ATOM 893 CD1 LEU A 419 1.977 11.205 -0.083 1.00 1.60 C ATOM 894 CD2 LEU A 419 2.868 10.180 -2.185 1.00 1.40 C ATOM 0 H LEU A 419 -0.175 12.255 -0.119 1.00 0.66 H new ATOM 0 HA LEU A 419 1.084 13.855 -2.035 1.00 0.60 H new ATOM 0 HB2 LEU A 419 0.171 10.962 -2.047 1.00 0.58 H new ATOM 0 HB3 LEU A 419 1.077 11.666 -3.371 1.00 0.58 H new ATOM 0 HG LEU A 419 2.888 12.258 -1.688 1.00 0.78 H new ATOM 0 HD11 LEU A 419 2.923 10.979 0.408 1.00 1.60 H new ATOM 0 HD12 LEU A 419 1.554 12.113 0.346 1.00 1.60 H new ATOM 0 HD13 LEU A 419 1.284 10.377 0.065 1.00 1.60 H new ATOM 0 HD21 LEU A 419 3.798 9.963 -1.660 1.00 1.40 H new ATOM 0 HD22 LEU A 419 2.194 9.328 -2.098 1.00 1.40 H new ATOM 0 HD23 LEU A 419 3.080 10.368 -3.237 1.00 1.40 H new ATOM 906 N ASN A 420 -0.315 14.003 -4.139 1.00 0.61 N ATOM 907 CA ASN A 420 -1.178 14.403 -5.224 1.00 0.63 C ATOM 908 C ASN A 420 -2.137 13.292 -5.637 1.00 0.56 C ATOM 909 O ASN A 420 -1.804 12.109 -5.572 1.00 0.56 O ATOM 910 CB ASN A 420 -0.304 14.794 -6.404 1.00 0.75 C ATOM 911 CG ASN A 420 0.639 15.934 -6.081 1.00 1.57 C ATOM 912 OD1 ASN A 420 0.212 17.010 -5.665 1.00 2.53 O ATOM 913 ND2 ASN A 420 1.930 15.703 -6.281 1.00 1.98 N ATOM 0 H ASN A 420 0.674 14.184 -4.313 1.00 0.61 H new ATOM 0 HA ASN A 420 -1.789 15.243 -4.893 1.00 0.63 H new ATOM 0 HB2 ASN A 420 0.276 13.928 -6.724 1.00 0.75 H new ATOM 0 HB3 ASN A 420 -0.939 15.080 -7.242 1.00 0.75 H new ATOM 0 HD21 ASN A 420 2.615 16.434 -6.088 1.00 1.98 H new ATOM 0 HD22 ASN A 420 2.238 14.794 -6.627 1.00 1.98 H new ATOM 920 N ARG A 421 -3.330 13.691 -6.071 1.00 0.62 N ATOM 921 CA ARG A 421 -4.347 12.744 -6.510 1.00 0.67 C ATOM 922 C ARG A 421 -3.838 11.898 -7.674 1.00 0.66 C ATOM 923 O ARG A 421 -4.259 10.755 -7.850 1.00 0.69 O ATOM 924 CB ARG A 421 -5.622 13.485 -6.919 1.00 0.87 C ATOM 925 CG ARG A 421 -6.276 14.244 -5.777 1.00 1.09 C ATOM 926 CD ARG A 421 -7.517 14.991 -6.240 1.00 1.51 C ATOM 927 NE ARG A 421 -7.208 15.991 -7.259 1.00 2.25 N ATOM 928 CZ ARG A 421 -8.120 16.783 -7.815 1.00 3.00 C ATOM 929 NH1 ARG A 421 -9.393 16.690 -7.454 1.00 3.28 N ATOM 930 NH2 ARG A 421 -7.760 17.669 -8.735 1.00 3.98 N ATOM 0 H ARG A 421 -3.615 14.669 -6.127 1.00 0.62 H new ATOM 0 HA ARG A 421 -4.574 12.080 -5.676 1.00 0.67 H new ATOM 0 HB2 ARG A 421 -5.385 14.185 -7.721 1.00 0.87 H new ATOM 0 HB3 ARG A 421 -6.336 12.767 -7.323 1.00 0.87 H new ATOM 0 HG2 ARG A 421 -6.545 13.547 -4.983 1.00 1.09 H new ATOM 0 HG3 ARG A 421 -5.562 14.950 -5.353 1.00 1.09 H new ATOM 0 HD2 ARG A 421 -8.240 14.280 -6.638 1.00 1.51 H new ATOM 0 HD3 ARG A 421 -7.986 15.478 -5.385 1.00 1.51 H new ATOM 0 HE ARG A 421 -6.238 16.087 -7.561 1.00 2.25 H new ATOM 0 HH11 ARG A 421 -9.675 16.010 -6.748 1.00 3.28 H new ATOM 0 HH12 ARG A 421 -10.090 17.299 -7.882 1.00 3.28 H new ATOM 0 HH21 ARG A 421 -6.782 17.743 -9.017 1.00 3.98 H new ATOM 0 HH22 ARG A 421 -8.461 18.276 -9.161 1.00 3.98 H new ATOM 944 N ARG A 422 -2.930 12.467 -8.464 1.00 0.71 N ATOM 945 CA ARG A 422 -2.363 11.761 -9.610 1.00 0.83 C ATOM 946 C ARG A 422 -1.796 10.418 -9.168 1.00 0.72 C ATOM 947 O ARG A 422 -1.957 9.403 -9.844 1.00 0.77 O ATOM 948 CB ARG A 422 -1.249 12.590 -10.253 1.00 1.01 C ATOM 949 CG ARG A 422 -1.620 14.045 -10.486 1.00 1.19 C ATOM 950 CD ARG A 422 -0.508 14.794 -11.203 1.00 1.49 C ATOM 951 NE ARG A 422 0.743 14.758 -10.450 1.00 2.09 N ATOM 952 CZ ARG A 422 1.871 15.329 -10.862 1.00 2.79 C ATOM 953 NH1 ARG A 422 1.907 15.980 -12.018 1.00 3.07 N ATOM 954 NH2 ARG A 422 2.966 15.248 -10.118 1.00 3.71 N ATOM 0 H ARG A 422 -2.572 13.413 -8.332 1.00 0.71 H new ATOM 0 HA ARG A 422 -3.157 11.601 -10.340 1.00 0.83 H new ATOM 0 HB2 ARG A 422 -0.365 12.548 -9.617 1.00 1.01 H new ATOM 0 HB3 ARG A 422 -0.977 12.137 -11.207 1.00 1.01 H new ATOM 0 HG2 ARG A 422 -2.535 14.099 -11.075 1.00 1.19 H new ATOM 0 HG3 ARG A 422 -1.827 14.527 -9.530 1.00 1.19 H new ATOM 0 HD2 ARG A 422 -0.352 14.356 -12.189 1.00 1.49 H new ATOM 0 HD3 ARG A 422 -0.809 15.830 -11.359 1.00 1.49 H new ATOM 0 HE ARG A 422 0.752 14.266 -9.556 1.00 2.09 H new ATOM 0 HH11 ARG A 422 1.067 16.044 -12.594 1.00 3.07 H new ATOM 0 HH12 ARG A 422 2.774 16.417 -12.331 1.00 3.07 H new ATOM 0 HH21 ARG A 422 2.943 14.748 -9.229 1.00 3.71 H new ATOM 0 HH22 ARG A 422 3.831 15.686 -10.434 1.00 3.71 H new ATOM 968 N LEU A 423 -1.136 10.436 -8.017 1.00 0.65 N ATOM 969 CA LEU A 423 -0.536 9.239 -7.445 1.00 0.62 C ATOM 970 C LEU A 423 -1.607 8.289 -6.918 1.00 0.52 C ATOM 971 O LEU A 423 -1.439 7.069 -6.957 1.00 0.53 O ATOM 972 CB LEU A 423 0.431 9.623 -6.321 1.00 0.69 C ATOM 973 CG LEU A 423 1.779 10.203 -6.773 1.00 0.89 C ATOM 974 CD1 LEU A 423 1.591 11.351 -7.751 1.00 1.31 C ATOM 975 CD2 LEU A 423 2.578 10.673 -5.570 1.00 1.49 C ATOM 0 H LEU A 423 -1.002 11.277 -7.456 1.00 0.65 H new ATOM 0 HA LEU A 423 0.017 8.724 -8.231 1.00 0.62 H new ATOM 0 HB2 LEU A 423 -0.060 10.353 -5.677 1.00 0.69 H new ATOM 0 HB3 LEU A 423 0.622 8.739 -5.713 1.00 0.69 H new ATOM 0 HG LEU A 423 2.327 9.411 -7.284 1.00 0.89 H new ATOM 0 HD11 LEU A 423 2.565 11.738 -8.050 1.00 1.31 H new ATOM 0 HD12 LEU A 423 1.056 10.995 -8.631 1.00 1.31 H new ATOM 0 HD13 LEU A 423 1.017 12.145 -7.274 1.00 1.31 H new ATOM 0 HD21 LEU A 423 3.532 11.082 -5.904 1.00 1.49 H new ATOM 0 HD22 LEU A 423 2.018 11.444 -5.040 1.00 1.49 H new ATOM 0 HD23 LEU A 423 2.758 9.831 -4.902 1.00 1.49 H new ATOM 987 N ASP A 424 -2.702 8.858 -6.421 1.00 0.49 N ATOM 988 CA ASP A 424 -3.803 8.066 -5.879 1.00 0.50 C ATOM 989 C ASP A 424 -4.267 7.022 -6.889 1.00 0.45 C ATOM 990 O ASP A 424 -4.498 7.335 -8.058 1.00 0.49 O ATOM 991 CB ASP A 424 -4.980 8.971 -5.503 1.00 0.66 C ATOM 992 CG ASP A 424 -4.594 10.062 -4.521 1.00 0.81 C ATOM 993 OD1 ASP A 424 -3.396 10.153 -4.179 1.00 0.97 O ATOM 994 OD2 ASP A 424 -5.487 10.820 -4.090 1.00 1.20 O ATOM 0 H ASP A 424 -2.851 9.866 -6.382 1.00 0.49 H new ATOM 0 HA ASP A 424 -3.441 7.557 -4.985 1.00 0.50 H new ATOM 0 HB2 ASP A 424 -5.384 9.428 -6.406 1.00 0.66 H new ATOM 0 HB3 ASP A 424 -5.775 8.364 -5.070 1.00 0.66 H new ATOM 999 N GLY A 425 -4.405 5.781 -6.432 1.00 0.44 N ATOM 1000 CA GLY A 425 -4.845 4.714 -7.309 1.00 0.50 C ATOM 1001 C GLY A 425 -4.855 3.365 -6.621 1.00 0.45 C ATOM 1002 O GLY A 425 -5.202 3.264 -5.444 1.00 0.70 O ATOM 0 H GLY A 425 -4.220 5.497 -5.470 1.00 0.44 H new ATOM 0 HA2 GLY A 425 -5.847 4.939 -7.675 1.00 0.50 H new ATOM 0 HA3 GLY A 425 -4.190 4.670 -8.179 1.00 0.50 H new ATOM 1006 N TRP A 426 -4.472 2.325 -7.355 1.00 0.50 N ATOM 1007 CA TRP A 426 -4.437 0.976 -6.805 1.00 0.44 C ATOM 1008 C TRP A 426 -3.004 0.538 -6.528 1.00 0.45 C ATOM 1009 O TRP A 426 -2.106 0.755 -7.343 1.00 0.57 O ATOM 1010 CB TRP A 426 -5.125 -0.007 -7.756 1.00 0.47 C ATOM 1011 CG TRP A 426 -6.554 0.349 -8.034 1.00 0.49 C ATOM 1012 CD1 TRP A 426 -7.007 1.362 -8.828 1.00 0.57 C ATOM 1013 CD2 TRP A 426 -7.716 -0.292 -7.498 1.00 0.48 C ATOM 1014 NE1 TRP A 426 -8.381 1.383 -8.829 1.00 0.61 N ATOM 1015 CE2 TRP A 426 -8.840 0.378 -8.018 1.00 0.55 C ATOM 1016 CE3 TRP A 426 -7.917 -1.371 -6.632 1.00 0.50 C ATOM 1017 CZ2 TRP A 426 -10.142 0.004 -7.701 1.00 0.59 C ATOM 1018 CZ3 TRP A 426 -9.212 -1.739 -6.316 1.00 0.56 C ATOM 1019 CH2 TRP A 426 -10.309 -1.053 -6.850 1.00 0.59 C ATOM 0 H TRP A 426 -4.182 2.391 -8.331 1.00 0.50 H new ATOM 0 HA TRP A 426 -4.978 0.980 -5.859 1.00 0.44 H new ATOM 0 HB2 TRP A 426 -4.575 -0.039 -8.696 1.00 0.47 H new ATOM 0 HB3 TRP A 426 -5.083 -1.008 -7.327 1.00 0.47 H new ATOM 0 HD1 TRP A 426 -6.377 2.047 -9.376 1.00 0.57 H new ATOM 0 HE1 TRP A 426 -8.964 2.039 -9.348 1.00 0.61 H new ATOM 0 HE3 TRP A 426 -7.076 -1.907 -6.217 1.00 0.50 H new ATOM 0 HZ2 TRP A 426 -10.991 0.530 -8.113 1.00 0.59 H new ATOM 0 HZ3 TRP A 426 -9.380 -2.569 -5.646 1.00 0.56 H new ATOM 0 HH2 TRP A 426 -11.308 -1.365 -6.584 1.00 0.59 H new ATOM 1030 N VAL A 427 -2.795 -0.072 -5.366 1.00 0.39 N ATOM 1031 CA VAL A 427 -1.472 -0.536 -4.964 1.00 0.46 C ATOM 1032 C VAL A 427 -1.498 -1.993 -4.524 1.00 0.51 C ATOM 1033 O VAL A 427 -2.367 -2.404 -3.757 1.00 0.70 O ATOM 1034 CB VAL A 427 -0.914 0.309 -3.806 1.00 0.64 C ATOM 1035 CG1 VAL A 427 -0.399 1.643 -4.308 1.00 0.89 C ATOM 1036 CG2 VAL A 427 -1.982 0.522 -2.752 1.00 0.85 C ATOM 0 H VAL A 427 -3.529 -0.257 -4.683 1.00 0.39 H new ATOM 0 HA VAL A 427 -0.831 -0.434 -5.839 1.00 0.46 H new ATOM 0 HB VAL A 427 -0.079 -0.232 -3.360 1.00 0.64 H new ATOM 0 HG11 VAL A 427 -0.010 2.221 -3.470 1.00 0.89 H new ATOM 0 HG12 VAL A 427 0.397 1.476 -5.034 1.00 0.89 H new ATOM 0 HG13 VAL A 427 -1.213 2.192 -4.781 1.00 0.89 H new ATOM 0 HG21 VAL A 427 -1.575 1.121 -1.938 1.00 0.85 H new ATOM 0 HG22 VAL A 427 -2.832 1.041 -3.195 1.00 0.85 H new ATOM 0 HG23 VAL A 427 -2.308 -0.443 -2.364 1.00 0.85 H new ATOM 1046 N GLY A 428 -0.529 -2.763 -5.002 1.00 0.52 N ATOM 1047 CA GLY A 428 -0.447 -4.162 -4.636 1.00 0.65 C ATOM 1048 C GLY A 428 -0.344 -4.351 -3.136 1.00 0.79 C ATOM 1049 O GLY A 428 0.188 -3.491 -2.434 1.00 1.72 O ATOM 0 H GLY A 428 0.202 -2.443 -5.637 1.00 0.52 H new ATOM 0 HA2 GLY A 428 -1.327 -4.686 -5.008 1.00 0.65 H new ATOM 0 HA3 GLY A 428 0.420 -4.613 -5.119 1.00 0.65 H new ATOM 1053 N ARG A 429 -0.861 -5.471 -2.645 1.00 0.54 N ATOM 1054 CA ARG A 429 -0.830 -5.774 -1.215 1.00 0.54 C ATOM 1055 C ARG A 429 0.563 -5.548 -0.629 1.00 0.49 C ATOM 1056 O ARG A 429 0.700 -5.044 0.486 1.00 0.53 O ATOM 1057 CB ARG A 429 -1.279 -7.220 -0.973 1.00 0.68 C ATOM 1058 CG ARG A 429 -1.048 -7.716 0.449 1.00 0.83 C ATOM 1059 CD ARG A 429 -1.804 -6.883 1.474 1.00 0.85 C ATOM 1060 NE ARG A 429 -1.625 -7.395 2.832 1.00 1.20 N ATOM 1061 CZ ARG A 429 -0.469 -7.362 3.494 1.00 1.26 C ATOM 1062 NH1 ARG A 429 0.594 -6.775 2.958 1.00 1.73 N ATOM 1063 NH2 ARG A 429 -0.381 -7.901 4.702 1.00 1.65 N ATOM 0 H ARG A 429 -1.309 -6.188 -3.216 1.00 0.54 H new ATOM 0 HA ARG A 429 -1.519 -5.096 -0.711 1.00 0.54 H new ATOM 0 HB2 ARG A 429 -2.340 -7.303 -1.207 1.00 0.68 H new ATOM 0 HB3 ARG A 429 -0.748 -7.874 -1.665 1.00 0.68 H new ATOM 0 HG2 ARG A 429 -1.362 -8.757 0.525 1.00 0.83 H new ATOM 0 HG3 ARG A 429 0.018 -7.687 0.674 1.00 0.83 H new ATOM 0 HD2 ARG A 429 -1.460 -5.850 1.427 1.00 0.85 H new ATOM 0 HD3 ARG A 429 -2.865 -6.877 1.225 1.00 0.85 H new ATOM 0 HE ARG A 429 -2.434 -7.802 3.301 1.00 1.20 H new ATOM 0 HH11 ARG A 429 0.529 -6.346 2.035 1.00 1.73 H new ATOM 0 HH12 ARG A 429 1.476 -6.753 3.469 1.00 1.73 H new ATOM 0 HH21 ARG A 429 -1.198 -8.341 5.125 1.00 1.65 H new ATOM 0 HH22 ARG A 429 0.504 -7.876 5.209 1.00 1.65 H new ATOM 1077 N HIS A 430 1.592 -5.926 -1.382 1.00 0.49 N ATOM 1078 CA HIS A 430 2.969 -5.762 -0.925 1.00 0.53 C ATOM 1079 C HIS A 430 3.320 -4.296 -0.694 1.00 0.47 C ATOM 1080 O HIS A 430 4.122 -3.976 0.184 1.00 0.49 O ATOM 1081 CB HIS A 430 3.946 -6.368 -1.932 1.00 0.65 C ATOM 1082 CG HIS A 430 3.660 -6.003 -3.356 1.00 0.77 C ATOM 1083 ND1 HIS A 430 2.498 -6.359 -4.007 1.00 1.20 N ATOM 1084 CD2 HIS A 430 4.399 -5.316 -4.259 1.00 1.47 C ATOM 1085 CE1 HIS A 430 2.534 -5.910 -5.248 1.00 1.31 C ATOM 1086 NE2 HIS A 430 3.677 -5.273 -5.426 1.00 1.46 N ATOM 0 H HIS A 430 1.500 -6.346 -2.307 1.00 0.49 H new ATOM 0 HA HIS A 430 3.054 -6.287 0.027 1.00 0.53 H new ATOM 0 HB2 HIS A 430 4.956 -6.045 -1.681 1.00 0.65 H new ATOM 0 HB3 HIS A 430 3.925 -7.453 -1.835 1.00 0.65 H new ATOM 0 HD2 HIS A 430 5.374 -4.883 -4.092 1.00 1.47 H new ATOM 0 HE1 HIS A 430 1.761 -6.041 -5.991 1.00 1.31 H new ATOM 0 HE2 HIS A 430 3.975 -4.822 -6.291 1.00 1.46 H new ATOM 1095 N ARG A 431 2.725 -3.408 -1.481 1.00 0.43 N ATOM 1096 CA ARG A 431 2.995 -1.981 -1.346 1.00 0.41 C ATOM 1097 C ARG A 431 2.163 -1.366 -0.225 1.00 0.37 C ATOM 1098 O ARG A 431 1.866 -0.174 -0.249 1.00 0.57 O ATOM 1099 CB ARG A 431 2.710 -1.252 -2.659 1.00 0.44 C ATOM 1100 CG ARG A 431 3.496 -1.794 -3.841 1.00 0.53 C ATOM 1101 CD ARG A 431 3.384 -0.875 -5.047 1.00 0.64 C ATOM 1102 NE ARG A 431 4.029 -1.441 -6.231 1.00 1.39 N ATOM 1103 CZ ARG A 431 3.565 -2.499 -6.889 1.00 2.05 C ATOM 1104 NH1 ARG A 431 2.434 -3.078 -6.509 1.00 2.55 N ATOM 1105 NH2 ARG A 431 4.227 -2.973 -7.935 1.00 2.84 N ATOM 0 H ARG A 431 2.057 -3.647 -2.214 1.00 0.43 H new ATOM 0 HA ARG A 431 4.050 -1.868 -1.097 1.00 0.41 H new ATOM 0 HB2 ARG A 431 1.645 -1.322 -2.879 1.00 0.44 H new ATOM 0 HB3 ARG A 431 2.941 -0.194 -2.535 1.00 0.44 H new ATOM 0 HG2 ARG A 431 4.544 -1.906 -3.563 1.00 0.53 H new ATOM 0 HG3 ARG A 431 3.127 -2.786 -4.102 1.00 0.53 H new ATOM 0 HD2 ARG A 431 2.332 -0.687 -5.263 1.00 0.64 H new ATOM 0 HD3 ARG A 431 3.838 0.088 -4.812 1.00 0.64 H new ATOM 0 HE ARG A 431 4.883 -0.999 -6.571 1.00 1.39 H new ATOM 0 HH11 ARG A 431 1.917 -2.712 -5.710 1.00 2.55 H new ATOM 0 HH12 ARG A 431 2.081 -3.890 -7.016 1.00 2.55 H new ATOM 0 HH21 ARG A 431 5.093 -2.526 -8.236 1.00 2.84 H new ATOM 0 HH22 ARG A 431 3.870 -3.785 -8.439 1.00 2.84 H new ATOM 1119 N ILE A 432 1.794 -2.181 0.757 1.00 0.39 N ATOM 1120 CA ILE A 432 0.999 -1.711 1.888 1.00 0.36 C ATOM 1121 C ILE A 432 1.320 -2.506 3.143 1.00 0.38 C ATOM 1122 O ILE A 432 1.421 -3.732 3.105 1.00 0.44 O ATOM 1123 CB ILE A 432 -0.511 -1.818 1.605 1.00 0.38 C ATOM 1124 CG1 ILE A 432 -0.869 -1.008 0.361 1.00 0.40 C ATOM 1125 CG2 ILE A 432 -1.313 -1.340 2.810 1.00 0.42 C ATOM 1126 CD1 ILE A 432 -2.327 -1.088 -0.025 1.00 0.46 C ATOM 0 H ILE A 432 2.033 -3.172 0.794 1.00 0.39 H new ATOM 0 HA ILE A 432 1.257 -0.663 2.040 1.00 0.36 H new ATOM 0 HB ILE A 432 -0.763 -2.863 1.422 1.00 0.38 H new ATOM 0 HG12 ILE A 432 -0.606 0.036 0.531 1.00 0.40 H new ATOM 0 HG13 ILE A 432 -0.263 -1.358 -0.475 1.00 0.40 H new ATOM 0 HG21 ILE A 432 -2.378 -1.422 2.594 1.00 0.42 H new ATOM 0 HG22 ILE A 432 -1.070 -1.956 3.676 1.00 0.42 H new ATOM 0 HG23 ILE A 432 -1.065 -0.300 3.023 1.00 0.42 H new ATOM 0 HD11 ILE A 432 -2.501 -0.487 -0.917 1.00 0.46 H new ATOM 0 HD12 ILE A 432 -2.593 -2.125 -0.229 1.00 0.46 H new ATOM 0 HD13 ILE A 432 -2.941 -0.710 0.792 1.00 0.46 H new ATOM 1138 N SER A 433 1.476 -1.796 4.255 1.00 0.34 N ATOM 1139 CA SER A 433 1.789 -2.427 5.531 1.00 0.38 C ATOM 1140 C SER A 433 1.582 -1.452 6.684 1.00 0.36 C ATOM 1141 O SER A 433 1.939 -0.277 6.586 1.00 0.34 O ATOM 1142 CB SER A 433 3.238 -2.925 5.536 1.00 0.41 C ATOM 1143 OG SER A 433 3.423 -3.984 4.613 1.00 0.53 O ATOM 0 H SER A 433 1.390 -0.781 4.298 1.00 0.34 H new ATOM 0 HA SER A 433 1.115 -3.274 5.662 1.00 0.38 H new ATOM 0 HB2 SER A 433 3.908 -2.102 5.287 1.00 0.41 H new ATOM 0 HB3 SER A 433 3.505 -3.262 6.538 1.00 0.41 H new ATOM 0 HG SER A 433 2.566 -4.204 4.191 1.00 0.53 H new ATOM 1149 N ASP A 434 1.017 -1.947 7.781 1.00 0.43 N ATOM 1150 CA ASP A 434 0.780 -1.119 8.955 1.00 0.48 C ATOM 1151 C ASP A 434 2.076 -0.916 9.737 1.00 0.48 C ATOM 1152 O ASP A 434 2.057 -0.508 10.899 1.00 0.74 O ATOM 1153 CB ASP A 434 -0.296 -1.745 9.845 1.00 0.60 C ATOM 1154 CG ASP A 434 0.071 -3.139 10.318 1.00 0.83 C ATOM 1155 OD1 ASP A 434 1.086 -3.274 11.032 1.00 1.35 O ATOM 1156 OD2 ASP A 434 -0.656 -4.095 9.975 1.00 1.12 O ATOM 0 H ASP A 434 0.716 -2.916 7.880 1.00 0.43 H new ATOM 0 HA ASP A 434 0.424 -0.144 8.623 1.00 0.48 H new ATOM 0 HB2 ASP A 434 -0.463 -1.104 10.711 1.00 0.60 H new ATOM 0 HB3 ASP A 434 -1.236 -1.789 9.295 1.00 0.60 H new ATOM 1161 N ASN A 435 3.201 -1.201 9.083 1.00 0.43 N ATOM 1162 CA ASN A 435 4.515 -1.049 9.697 1.00 0.47 C ATOM 1163 C ASN A 435 5.500 -0.448 8.699 1.00 0.39 C ATOM 1164 O ASN A 435 5.637 -0.935 7.577 1.00 0.38 O ATOM 1165 CB ASN A 435 5.032 -2.402 10.192 1.00 0.59 C ATOM 1166 CG ASN A 435 4.110 -3.039 11.212 1.00 1.26 C ATOM 1167 OD1 ASN A 435 3.836 -2.462 12.264 1.00 2.16 O ATOM 1168 ND2 ASN A 435 3.628 -4.239 10.906 1.00 1.81 N ATOM 0 H ASN A 435 3.226 -1.541 8.122 1.00 0.43 H new ATOM 0 HA ASN A 435 4.422 -0.376 10.549 1.00 0.47 H new ATOM 0 HB2 ASN A 435 5.149 -3.075 9.343 1.00 0.59 H new ATOM 0 HB3 ASN A 435 6.020 -2.270 10.633 1.00 0.59 H new ATOM 0 HD21 ASN A 435 3.004 -4.719 11.555 1.00 1.81 H new ATOM 0 HD22 ASN A 435 3.882 -4.680 10.022 1.00 1.81 H new ATOM 1175 N ALA A 436 6.178 0.618 9.114 1.00 0.49 N ATOM 1176 CA ALA A 436 7.145 1.299 8.259 1.00 0.55 C ATOM 1177 C ALA A 436 8.340 0.408 7.936 1.00 0.55 C ATOM 1178 O ALA A 436 8.806 0.368 6.798 1.00 0.54 O ATOM 1179 CB ALA A 436 7.613 2.583 8.923 1.00 0.75 C ATOM 0 H ALA A 436 6.075 1.030 10.041 1.00 0.49 H new ATOM 0 HA ALA A 436 6.648 1.537 7.319 1.00 0.55 H new ATOM 0 HB1 ALA A 436 8.334 3.084 8.278 1.00 0.75 H new ATOM 0 HB2 ALA A 436 6.758 3.239 9.090 1.00 0.75 H new ATOM 0 HB3 ALA A 436 8.082 2.348 9.878 1.00 0.75 H new ATOM 1185 N ASP A 437 8.838 -0.296 8.948 1.00 0.65 N ATOM 1186 CA ASP A 437 9.988 -1.178 8.777 1.00 0.75 C ATOM 1187 C ASP A 437 9.737 -2.212 7.682 1.00 0.71 C ATOM 1188 O ASP A 437 10.630 -2.525 6.894 1.00 0.78 O ATOM 1189 CB ASP A 437 10.314 -1.885 10.094 1.00 0.92 C ATOM 1190 CG ASP A 437 10.637 -0.909 11.209 1.00 1.02 C ATOM 1191 OD1 ASP A 437 11.599 -0.128 11.054 1.00 1.34 O ATOM 1192 OD2 ASP A 437 9.929 -0.927 12.237 1.00 1.34 O ATOM 0 H ASP A 437 8.463 -0.273 9.896 1.00 0.65 H new ATOM 0 HA ASP A 437 10.837 -0.564 8.477 1.00 0.75 H new ATOM 0 HB2 ASP A 437 9.467 -2.504 10.390 1.00 0.92 H new ATOM 0 HB3 ASP A 437 11.161 -2.554 9.944 1.00 0.92 H new ATOM 1197 N ASP A 438 8.520 -2.746 7.644 1.00 0.68 N ATOM 1198 CA ASP A 438 8.157 -3.753 6.651 1.00 0.73 C ATOM 1199 C ASP A 438 7.786 -3.115 5.312 1.00 0.73 C ATOM 1200 O ASP A 438 6.824 -3.533 4.668 1.00 1.35 O ATOM 1201 CB ASP A 438 6.994 -4.603 7.163 1.00 0.88 C ATOM 1202 CG ASP A 438 7.330 -5.326 8.453 1.00 1.08 C ATOM 1203 OD1 ASP A 438 7.629 -4.644 9.455 1.00 1.56 O ATOM 1204 OD2 ASP A 438 7.296 -6.574 8.460 1.00 1.36 O ATOM 0 H ASP A 438 7.769 -2.499 8.288 1.00 0.68 H new ATOM 0 HA ASP A 438 9.028 -4.389 6.490 1.00 0.73 H new ATOM 0 HB2 ASP A 438 6.124 -3.965 7.323 1.00 0.88 H new ATOM 0 HB3 ASP A 438 6.718 -5.333 6.402 1.00 0.88 H new ATOM 1209 N LEU A 439 8.558 -2.114 4.891 1.00 0.54 N ATOM 1210 CA LEU A 439 8.303 -1.433 3.623 1.00 0.53 C ATOM 1211 C LEU A 439 9.596 -0.900 3.005 1.00 0.61 C ATOM 1212 O LEU A 439 10.237 -1.588 2.209 1.00 0.86 O ATOM 1213 CB LEU A 439 7.304 -0.288 3.816 1.00 0.52 C ATOM 1214 CG LEU A 439 5.877 -0.716 4.162 1.00 0.63 C ATOM 1215 CD1 LEU A 439 4.996 0.502 4.382 1.00 1.12 C ATOM 1216 CD2 LEU A 439 5.301 -1.591 3.059 1.00 1.10 C ATOM 0 H LEU A 439 9.362 -1.758 5.407 1.00 0.54 H new ATOM 0 HA LEU A 439 7.875 -2.165 2.938 1.00 0.53 H new ATOM 0 HB2 LEU A 439 7.672 0.364 4.608 1.00 0.52 H new ATOM 0 HB3 LEU A 439 7.276 0.306 2.902 1.00 0.52 H new ATOM 0 HG LEU A 439 5.906 -1.295 5.085 1.00 0.63 H new ATOM 0 HD11 LEU A 439 3.984 0.180 4.627 1.00 1.12 H new ATOM 0 HD12 LEU A 439 5.396 1.097 5.203 1.00 1.12 H new ATOM 0 HD13 LEU A 439 4.975 1.104 3.474 1.00 1.12 H new ATOM 0 HD21 LEU A 439 4.285 -1.886 3.322 1.00 1.10 H new ATOM 0 HD22 LEU A 439 5.286 -1.033 2.123 1.00 1.10 H new ATOM 0 HD23 LEU A 439 5.919 -2.481 2.941 1.00 1.10 H new ATOM 1228 N GLY A 440 9.976 0.324 3.368 1.00 0.59 N ATOM 1229 CA GLY A 440 11.188 0.912 2.825 1.00 0.77 C ATOM 1230 C GLY A 440 11.567 2.216 3.505 1.00 0.96 C ATOM 1231 O GLY A 440 12.041 3.145 2.850 1.00 1.36 O ATOM 0 H GLY A 440 9.468 0.916 4.025 1.00 0.59 H new ATOM 0 HA2 GLY A 440 12.009 0.202 2.929 1.00 0.77 H new ATOM 0 HA3 GLY A 440 11.053 1.090 1.758 1.00 0.77 H new ATOM 1235 N GLY A 441 11.366 2.281 4.820 1.00 0.93 N ATOM 1236 CA GLY A 441 11.703 3.484 5.565 1.00 1.24 C ATOM 1237 C GLY A 441 10.845 4.674 5.182 1.00 1.14 C ATOM 1238 O GLY A 441 10.534 4.866 4.011 1.00 1.83 O ATOM 0 H GLY A 441 10.977 1.524 5.382 1.00 0.93 H new ATOM 0 HA2 GLY A 441 11.590 3.289 6.631 1.00 1.24 H new ATOM 0 HA3 GLY A 441 12.752 3.729 5.395 1.00 1.24 H new ATOM 1242 N ILE A 442 10.466 5.477 6.176 1.00 1.10 N ATOM 1243 CA ILE A 442 9.644 6.663 5.942 1.00 1.03 C ATOM 1244 C ILE A 442 10.444 7.738 5.207 1.00 1.05 C ATOM 1245 O ILE A 442 10.756 8.791 5.767 1.00 1.39 O ATOM 1246 CB ILE A 442 9.103 7.244 7.268 1.00 1.26 C ATOM 1247 CG1 ILE A 442 8.369 6.160 8.065 1.00 1.41 C ATOM 1248 CG2 ILE A 442 8.177 8.424 6.999 1.00 1.38 C ATOM 1249 CD1 ILE A 442 7.158 5.593 7.353 1.00 1.48 C ATOM 0 H ILE A 442 10.716 5.327 7.153 1.00 1.10 H new ATOM 0 HA ILE A 442 8.799 6.355 5.325 1.00 1.03 H new ATOM 0 HB ILE A 442 9.948 7.598 7.858 1.00 1.26 H new ATOM 0 HG12 ILE A 442 9.064 5.349 8.283 1.00 1.41 H new ATOM 0 HG13 ILE A 442 8.055 6.576 9.022 1.00 1.41 H new ATOM 0 HG21 ILE A 442 7.807 8.819 7.945 1.00 1.38 H new ATOM 0 HG22 ILE A 442 8.725 9.204 6.470 1.00 1.38 H new ATOM 0 HG23 ILE A 442 7.336 8.095 6.389 1.00 1.38 H new ATOM 0 HD11 ILE A 442 6.691 4.832 7.979 1.00 1.48 H new ATOM 0 HD12 ILE A 442 6.443 6.392 7.159 1.00 1.48 H new ATOM 0 HD13 ILE A 442 7.468 5.146 6.408 1.00 1.48 H new