USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=11 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 378 ASN : amide:sc= -5.79! C(o=-6.2!,f=-1.7!) USER MOD Set 1.2: A 383 TYR OH : rot 180:sc= -0.454 USER MOD Single : A 376 SER OG : rot 180:sc= 0 USER MOD Single : A 381 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0489) USER MOD Single : A 391 THR OG1 : rot 43:sc= 0.606 USER MOD Single : A 393 HIS : no HD1:sc= -0.79 K(o=-0.79,f=-0.14) USER MOD Single : A 396 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.077) USER MOD Single : A 399 GLN : amide:sc= -1.21! K(o=-1.2!,f=0) USER MOD Single : A 400 SER OG : rot 180:sc= 0 USER MOD Single : A 402 THR OG1 : rot -174:sc= -0.398 USER MOD Single : A 403 THR OG1 : rot 180:sc= -0.999 USER MOD Single : A 405 ASN : amide:sc= -2.76! C(o=-2.8!,f=-7.5!) USER MOD Single : A 412 TYR OH : rot 138:sc= 0.027 USER MOD Single : A 413 TYR OH : rot 180:sc= 0 USER MOD Single : A 415 HIS : no HD1:sc= -0.106 K(o=-0.11,f=-1.3) USER MOD Single : A 416 TYR OH : rot 172:sc= -1.46 USER MOD Single : A 420 ASN : amide:sc= -3.63! K(o=-3.6!,f=-0.37) USER MOD Single : A 430 HIS : no HD1:sc= -3.41 K(o=-3.4,f=-7.3!) USER MOD Single : A 433 SER OG : rot -13:sc= 0.872 USER MOD Single : A 435 ASN : amide:sc= -0.996 K(o=-1,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 157 N ILE A 373 -5.392 -7.808 3.938 1.00 1.42 N ATOM 158 CA ILE A 373 -5.665 -6.878 5.032 1.00 1.22 C ATOM 159 C ILE A 373 -7.122 -6.430 5.038 1.00 1.13 C ATOM 160 O ILE A 373 -7.667 -6.046 4.003 1.00 1.20 O ATOM 161 CB ILE A 373 -4.768 -5.625 4.950 1.00 1.16 C ATOM 162 CG1 ILE A 373 -3.294 -6.010 5.091 1.00 1.40 C ATOM 163 CG2 ILE A 373 -5.161 -4.617 6.023 1.00 1.26 C ATOM 164 CD1 ILE A 373 -2.343 -4.844 4.918 1.00 1.48 C ATOM 0 HA ILE A 373 -5.448 -7.420 5.953 1.00 1.22 H new ATOM 0 HB ILE A 373 -4.911 -5.163 3.973 1.00 1.16 H new ATOM 0 HG12 ILE A 373 -3.136 -6.454 6.074 1.00 1.40 H new ATOM 0 HG13 ILE A 373 -3.055 -6.776 4.353 1.00 1.40 H new ATOM 0 HG21 ILE A 373 -4.518 -3.740 5.951 1.00 1.26 H new ATOM 0 HG22 ILE A 373 -6.200 -4.319 5.879 1.00 1.26 H new ATOM 0 HG23 ILE A 373 -5.047 -5.070 7.008 1.00 1.26 H new ATOM 0 HD11 ILE A 373 -1.316 -5.192 5.031 1.00 1.48 H new ATOM 0 HD12 ILE A 373 -2.473 -4.413 3.925 1.00 1.48 H new ATOM 0 HD13 ILE A 373 -2.555 -4.087 5.673 1.00 1.48 H new ATOM 176 N ASP A 374 -7.739 -6.462 6.215 1.00 1.16 N ATOM 177 CA ASP A 374 -9.125 -6.039 6.361 1.00 1.17 C ATOM 178 C ASP A 374 -9.183 -4.545 6.668 1.00 1.03 C ATOM 179 O ASP A 374 -8.489 -4.059 7.560 1.00 1.25 O ATOM 180 CB ASP A 374 -9.812 -6.834 7.472 1.00 1.40 C ATOM 181 CG ASP A 374 -9.827 -8.326 7.196 1.00 1.77 C ATOM 182 OD1 ASP A 374 -9.320 -8.737 6.131 1.00 2.04 O ATOM 183 OD2 ASP A 374 -10.346 -9.084 8.043 1.00 2.17 O ATOM 0 H ASP A 374 -7.300 -6.777 7.080 1.00 1.16 H new ATOM 0 HA ASP A 374 -9.650 -6.230 5.425 1.00 1.17 H new ATOM 0 HB2 ASP A 374 -9.301 -6.648 8.417 1.00 1.40 H new ATOM 0 HB3 ASP A 374 -10.836 -6.479 7.588 1.00 1.40 H new ATOM 188 N ILE A 375 -10.001 -3.817 5.913 1.00 0.84 N ATOM 189 CA ILE A 375 -10.129 -2.376 6.099 1.00 0.76 C ATOM 190 C ILE A 375 -11.194 -2.015 7.130 1.00 0.76 C ATOM 191 O ILE A 375 -11.001 -1.103 7.933 1.00 0.79 O ATOM 192 CB ILE A 375 -10.471 -1.668 4.779 1.00 0.77 C ATOM 193 CG1 ILE A 375 -9.360 -1.878 3.751 1.00 0.82 C ATOM 194 CG2 ILE A 375 -10.700 -0.187 5.037 1.00 0.84 C ATOM 195 CD1 ILE A 375 -9.714 -1.370 2.372 1.00 0.92 C ATOM 0 H ILE A 375 -10.583 -4.201 5.169 1.00 0.84 H new ATOM 0 HA ILE A 375 -9.158 -2.037 6.461 1.00 0.76 H new ATOM 0 HB ILE A 375 -11.386 -2.098 4.371 1.00 0.77 H new ATOM 0 HG12 ILE A 375 -8.457 -1.374 4.095 1.00 0.82 H new ATOM 0 HG13 ILE A 375 -9.128 -2.941 3.690 1.00 0.82 H new ATOM 0 HG21 ILE A 375 -10.942 0.313 4.099 1.00 0.84 H new ATOM 0 HG22 ILE A 375 -11.526 -0.063 5.738 1.00 0.84 H new ATOM 0 HG23 ILE A 375 -9.796 0.253 5.459 1.00 0.84 H new ATOM 0 HD11 ILE A 375 -8.881 -1.551 1.693 1.00 0.92 H new ATOM 0 HD12 ILE A 375 -10.599 -1.892 2.008 1.00 0.92 H new ATOM 0 HD13 ILE A 375 -9.918 -0.300 2.419 1.00 0.92 H new ATOM 207 N SER A 376 -12.320 -2.716 7.082 1.00 0.79 N ATOM 208 CA SER A 376 -13.435 -2.460 7.995 1.00 0.87 C ATOM 209 C SER A 376 -12.967 -2.327 9.439 1.00 0.96 C ATOM 210 O SER A 376 -13.661 -1.754 10.279 1.00 1.54 O ATOM 211 CB SER A 376 -14.473 -3.574 7.885 1.00 0.95 C ATOM 212 OG SER A 376 -15.567 -3.341 8.754 1.00 1.71 O ATOM 0 H SER A 376 -12.489 -3.471 6.418 1.00 0.79 H new ATOM 0 HA SER A 376 -13.886 -1.512 7.703 1.00 0.87 H new ATOM 0 HB2 SER A 376 -14.830 -3.643 6.857 1.00 0.95 H new ATOM 0 HB3 SER A 376 -14.011 -4.531 8.126 1.00 0.95 H new ATOM 0 HG SER A 376 -16.218 -4.068 8.663 1.00 1.71 H new ATOM 218 N GLU A 377 -11.794 -2.869 9.717 1.00 0.93 N ATOM 219 CA GLU A 377 -11.224 -2.828 11.057 1.00 1.03 C ATOM 220 C GLU A 377 -10.980 -1.392 11.514 1.00 0.87 C ATOM 221 O GLU A 377 -11.245 -1.044 12.666 1.00 0.93 O ATOM 222 CB GLU A 377 -9.909 -3.607 11.093 1.00 1.18 C ATOM 223 CG GLU A 377 -9.921 -4.850 10.220 1.00 1.28 C ATOM 224 CD GLU A 377 -8.803 -5.814 10.562 1.00 1.54 C ATOM 225 OE1 GLU A 377 -7.623 -5.418 10.460 1.00 1.90 O ATOM 226 OE2 GLU A 377 -9.107 -6.967 10.934 1.00 1.92 O ATOM 0 H GLU A 377 -11.212 -3.347 9.029 1.00 0.93 H new ATOM 0 HA GLU A 377 -11.941 -3.287 11.738 1.00 1.03 H new ATOM 0 HB2 GLU A 377 -9.099 -2.953 10.770 1.00 1.18 H new ATOM 0 HB3 GLU A 377 -9.695 -3.896 12.122 1.00 1.18 H new ATOM 0 HG2 GLU A 377 -10.879 -5.357 10.330 1.00 1.28 H new ATOM 0 HG3 GLU A 377 -9.834 -4.556 9.174 1.00 1.28 H new ATOM 233 N ASN A 378 -10.462 -0.570 10.609 1.00 0.71 N ATOM 234 CA ASN A 378 -10.162 0.825 10.916 1.00 0.61 C ATOM 235 C ASN A 378 -9.868 1.619 9.645 1.00 0.58 C ATOM 236 O ASN A 378 -8.731 2.021 9.404 1.00 0.59 O ATOM 237 CB ASN A 378 -8.973 0.910 11.881 1.00 0.62 C ATOM 238 CG ASN A 378 -7.813 0.020 11.472 1.00 1.15 C ATOM 239 OD1 ASN A 378 -6.910 -0.236 12.269 1.00 1.16 O ATOM 240 ND2 ASN A 378 -7.818 -0.445 10.228 1.00 2.14 N ATOM 0 H ASN A 378 -10.240 -0.846 9.653 1.00 0.71 H new ATOM 0 HA ASN A 378 -11.039 1.263 11.392 1.00 0.61 H new ATOM 0 HB2 ASN A 378 -8.630 1.943 11.936 1.00 0.62 H new ATOM 0 HB3 ASN A 378 -9.303 0.630 12.881 1.00 0.62 H new ATOM 0 HD21 ASN A 378 -7.055 -1.038 9.902 1.00 2.14 H new ATOM 0 HD22 ASN A 378 -8.585 -0.209 9.599 1.00 2.14 H new ATOM 247 N PRO A 379 -10.898 1.855 8.811 1.00 0.62 N ATOM 248 CA PRO A 379 -10.745 2.606 7.559 1.00 0.65 C ATOM 249 C PRO A 379 -10.026 3.933 7.769 1.00 0.61 C ATOM 250 O PRO A 379 -9.197 4.337 6.952 1.00 0.62 O ATOM 251 CB PRO A 379 -12.186 2.842 7.113 1.00 0.77 C ATOM 252 CG PRO A 379 -12.952 1.710 7.703 1.00 0.85 C ATOM 253 CD PRO A 379 -12.291 1.414 9.022 1.00 0.75 C ATOM 0 HA PRO A 379 -10.142 2.068 6.828 1.00 0.65 H new ATOM 0 HB2 PRO A 379 -12.559 3.802 7.470 1.00 0.77 H new ATOM 0 HB3 PRO A 379 -12.268 2.852 6.026 1.00 0.77 H new ATOM 0 HG2 PRO A 379 -14.000 1.976 7.841 1.00 0.85 H new ATOM 0 HG3 PRO A 379 -12.928 0.838 7.049 1.00 0.85 H new ATOM 0 HD2 PRO A 379 -12.765 1.956 9.840 1.00 0.75 H new ATOM 0 HD3 PRO A 379 -12.344 0.354 9.269 1.00 0.75 H new ATOM 261 N ASP A 380 -10.344 4.605 8.870 1.00 0.62 N ATOM 262 CA ASP A 380 -9.727 5.886 9.195 1.00 0.64 C ATOM 263 C ASP A 380 -8.214 5.737 9.330 1.00 0.55 C ATOM 264 O ASP A 380 -7.455 6.607 8.903 1.00 0.55 O ATOM 265 CB ASP A 380 -10.315 6.447 10.490 1.00 0.75 C ATOM 266 CG ASP A 380 -11.810 6.679 10.393 1.00 0.86 C ATOM 267 OD1 ASP A 380 -12.233 7.472 9.526 1.00 1.21 O ATOM 268 OD2 ASP A 380 -12.557 6.068 11.186 1.00 1.20 O ATOM 0 H ASP A 380 -11.028 4.283 9.555 1.00 0.62 H new ATOM 0 HA ASP A 380 -9.937 6.581 8.382 1.00 0.64 H new ATOM 0 HB2 ASP A 380 -10.110 5.757 11.308 1.00 0.75 H new ATOM 0 HB3 ASP A 380 -9.819 7.387 10.734 1.00 0.75 H new ATOM 273 N LYS A 381 -7.785 4.629 9.930 1.00 0.51 N ATOM 274 CA LYS A 381 -6.363 4.361 10.124 1.00 0.47 C ATOM 275 C LYS A 381 -5.606 4.432 8.800 1.00 0.39 C ATOM 276 O LYS A 381 -6.014 3.833 7.806 1.00 0.37 O ATOM 277 CB LYS A 381 -6.165 2.987 10.767 1.00 0.50 C ATOM 278 CG LYS A 381 -4.717 2.526 10.779 1.00 0.52 C ATOM 279 CD LYS A 381 -4.558 1.172 11.446 1.00 0.59 C ATOM 280 CE LYS A 381 -3.127 0.667 11.344 1.00 0.67 C ATOM 281 NZ LYS A 381 -2.957 -0.657 12.004 1.00 1.66 N ATOM 0 H LYS A 381 -8.403 3.902 10.290 1.00 0.51 H new ATOM 0 HA LYS A 381 -5.963 5.127 10.789 1.00 0.47 H new ATOM 0 HB2 LYS A 381 -6.537 3.017 11.791 1.00 0.50 H new ATOM 0 HB3 LYS A 381 -6.767 2.254 10.231 1.00 0.50 H new ATOM 0 HG2 LYS A 381 -4.345 2.472 9.756 1.00 0.52 H new ATOM 0 HG3 LYS A 381 -4.106 3.262 11.302 1.00 0.52 H new ATOM 0 HD2 LYS A 381 -4.845 1.246 12.495 1.00 0.59 H new ATOM 0 HD3 LYS A 381 -5.233 0.454 10.980 1.00 0.59 H new ATOM 0 HE2 LYS A 381 -2.844 0.588 10.294 1.00 0.67 H new ATOM 0 HE3 LYS A 381 -2.453 1.391 11.803 1.00 0.67 H new ATOM 0 HZ1 LYS A 381 -1.947 -0.904 12.032 1.00 1.66 H new ATOM 0 HZ2 LYS A 381 -3.330 -0.612 12.974 1.00 1.66 H new ATOM 0 HZ3 LYS A 381 -3.475 -1.382 11.467 1.00 1.66 H new ATOM 295 N ILE A 382 -4.501 5.174 8.797 1.00 0.40 N ATOM 296 CA ILE A 382 -3.684 5.333 7.600 1.00 0.35 C ATOM 297 C ILE A 382 -2.691 4.183 7.445 1.00 0.34 C ATOM 298 O ILE A 382 -2.034 3.785 8.408 1.00 0.41 O ATOM 299 CB ILE A 382 -2.901 6.660 7.636 1.00 0.37 C ATOM 300 CG1 ILE A 382 -3.829 7.825 7.998 1.00 0.38 C ATOM 301 CG2 ILE A 382 -2.223 6.911 6.296 1.00 0.41 C ATOM 302 CD1 ILE A 382 -4.975 8.020 7.030 1.00 0.37 C ATOM 0 H ILE A 382 -4.151 5.675 9.614 1.00 0.40 H new ATOM 0 HA ILE A 382 -4.367 5.334 6.751 1.00 0.35 H new ATOM 0 HB ILE A 382 -2.131 6.586 8.404 1.00 0.37 H new ATOM 0 HG12 ILE A 382 -4.234 7.657 8.996 1.00 0.38 H new ATOM 0 HG13 ILE A 382 -3.243 8.743 8.042 1.00 0.38 H new ATOM 0 HG21 ILE A 382 -1.674 7.852 6.337 1.00 0.41 H new ATOM 0 HG22 ILE A 382 -1.532 6.096 6.080 1.00 0.41 H new ATOM 0 HG23 ILE A 382 -2.977 6.965 5.511 1.00 0.41 H new ATOM 0 HD11 ILE A 382 -5.586 8.862 7.354 1.00 0.37 H new ATOM 0 HD12 ILE A 382 -4.580 8.220 6.034 1.00 0.37 H new ATOM 0 HD13 ILE A 382 -5.586 7.118 7.003 1.00 0.37 H new ATOM 314 N TYR A 383 -2.574 3.663 6.225 1.00 0.30 N ATOM 315 CA TYR A 383 -1.646 2.570 5.943 1.00 0.30 C ATOM 316 C TYR A 383 -0.464 3.075 5.123 1.00 0.28 C ATOM 317 O TYR A 383 -0.626 3.934 4.263 1.00 0.25 O ATOM 318 CB TYR A 383 -2.345 1.440 5.182 1.00 0.32 C ATOM 319 CG TYR A 383 -3.464 0.770 5.948 1.00 0.36 C ATOM 320 CD1 TYR A 383 -4.577 1.496 6.356 1.00 0.40 C ATOM 321 CD2 TYR A 383 -3.405 -0.579 6.276 1.00 0.48 C ATOM 322 CE1 TYR A 383 -5.600 0.896 7.065 1.00 0.48 C ATOM 323 CE2 TYR A 383 -4.425 -1.186 6.983 1.00 0.55 C ATOM 324 CZ TYR A 383 -5.526 -0.478 7.336 1.00 0.52 C ATOM 325 OH TYR A 383 -6.533 -1.043 8.085 1.00 0.63 O ATOM 0 H TYR A 383 -3.109 3.980 5.417 1.00 0.30 H new ATOM 0 HA TYR A 383 -1.288 2.183 6.897 1.00 0.30 H new ATOM 0 HB2 TYR A 383 -2.747 1.840 4.251 1.00 0.32 H new ATOM 0 HB3 TYR A 383 -1.604 0.687 4.912 1.00 0.32 H new ATOM 0 HD1 TYR A 383 -4.643 2.547 6.115 1.00 0.40 H new ATOM 0 HD2 TYR A 383 -2.548 -1.162 5.973 1.00 0.48 H new ATOM 0 HE1 TYR A 383 -6.444 1.477 7.406 1.00 0.48 H new ATOM 0 HE2 TYR A 383 -4.345 -2.228 7.255 1.00 0.55 H new ATOM 0 HH TYR A 383 -6.359 -2.001 8.198 1.00 0.63 H new ATOM 335 N PHE A 384 0.721 2.536 5.385 1.00 0.31 N ATOM 336 CA PHE A 384 1.917 2.941 4.652 1.00 0.30 C ATOM 337 C PHE A 384 2.085 2.100 3.388 1.00 0.28 C ATOM 338 O PHE A 384 1.963 0.876 3.429 1.00 0.33 O ATOM 339 CB PHE A 384 3.164 2.811 5.532 1.00 0.40 C ATOM 340 CG PHE A 384 3.137 3.665 6.771 1.00 0.48 C ATOM 341 CD1 PHE A 384 2.220 3.423 7.783 1.00 0.83 C ATOM 342 CD2 PHE A 384 4.041 4.704 6.929 1.00 0.57 C ATOM 343 CE1 PHE A 384 2.203 4.203 8.924 1.00 0.96 C ATOM 344 CE2 PHE A 384 4.029 5.485 8.069 1.00 0.64 C ATOM 345 CZ PHE A 384 3.110 5.234 9.067 1.00 0.74 C ATOM 0 H PHE A 384 0.880 1.821 6.095 1.00 0.31 H new ATOM 0 HA PHE A 384 1.797 3.986 4.367 1.00 0.30 H new ATOM 0 HB2 PHE A 384 3.280 1.768 5.826 1.00 0.40 H new ATOM 0 HB3 PHE A 384 4.041 3.075 4.941 1.00 0.40 H new ATOM 0 HD1 PHE A 384 1.511 2.615 7.678 1.00 0.83 H new ATOM 0 HD2 PHE A 384 4.763 4.906 6.152 1.00 0.57 H new ATOM 0 HE1 PHE A 384 1.481 4.006 9.703 1.00 0.96 H new ATOM 0 HE2 PHE A 384 4.739 6.292 8.179 1.00 0.64 H new ATOM 0 HZ PHE A 384 3.100 5.843 9.959 1.00 0.74 H new ATOM 355 N ILE A 385 2.370 2.759 2.266 1.00 0.26 N ATOM 356 CA ILE A 385 2.558 2.057 0.999 1.00 0.27 C ATOM 357 C ILE A 385 3.939 2.343 0.425 1.00 0.24 C ATOM 358 O ILE A 385 4.353 3.497 0.328 1.00 0.30 O ATOM 359 CB ILE A 385 1.507 2.454 -0.062 1.00 0.33 C ATOM 360 CG1 ILE A 385 0.097 2.493 0.535 1.00 0.32 C ATOM 361 CG2 ILE A 385 1.559 1.485 -1.232 1.00 0.49 C ATOM 362 CD1 ILE A 385 -0.166 3.716 1.378 1.00 0.32 C ATOM 0 H ILE A 385 2.475 3.772 2.209 1.00 0.26 H new ATOM 0 HA ILE A 385 2.446 0.996 1.224 1.00 0.27 H new ATOM 0 HB ILE A 385 1.745 3.457 -0.416 1.00 0.33 H new ATOM 0 HG12 ILE A 385 -0.633 2.455 -0.274 1.00 0.32 H new ATOM 0 HG13 ILE A 385 -0.056 1.602 1.144 1.00 0.32 H new ATOM 0 HG21 ILE A 385 0.815 1.772 -1.975 1.00 0.49 H new ATOM 0 HG22 ILE A 385 2.551 1.511 -1.683 1.00 0.49 H new ATOM 0 HG23 ILE A 385 1.348 0.476 -0.878 1.00 0.49 H new ATOM 0 HD11 ILE A 385 -1.183 3.677 1.768 1.00 0.32 H new ATOM 0 HD12 ILE A 385 0.540 3.745 2.208 1.00 0.32 H new ATOM 0 HD13 ILE A 385 -0.046 4.611 0.768 1.00 0.32 H new ATOM 374 N ARG A 386 4.646 1.289 0.037 1.00 0.29 N ATOM 375 CA ARG A 386 5.977 1.435 -0.536 1.00 0.30 C ATOM 376 C ARG A 386 5.889 1.813 -2.012 1.00 0.33 C ATOM 377 O ARG A 386 5.379 1.043 -2.825 1.00 0.42 O ATOM 378 CB ARG A 386 6.760 0.130 -0.381 1.00 0.38 C ATOM 379 CG ARG A 386 8.206 0.222 -0.845 1.00 0.50 C ATOM 380 CD ARG A 386 8.917 -1.114 -0.709 1.00 1.02 C ATOM 381 NE ARG A 386 10.347 -1.015 -1.005 1.00 1.40 N ATOM 382 CZ ARG A 386 10.840 -0.750 -2.212 1.00 1.86 C ATOM 383 NH1 ARG A 386 10.028 -0.590 -3.248 1.00 2.42 N ATOM 384 NH2 ARG A 386 12.152 -0.656 -2.384 1.00 2.39 N ATOM 0 H ARG A 386 4.320 0.325 0.109 1.00 0.29 H new ATOM 0 HA ARG A 386 6.496 2.232 -0.003 1.00 0.30 H new ATOM 0 HB2 ARG A 386 6.743 -0.171 0.667 1.00 0.38 H new ATOM 0 HB3 ARG A 386 6.256 -0.654 -0.946 1.00 0.38 H new ATOM 0 HG2 ARG A 386 8.236 0.548 -1.885 1.00 0.50 H new ATOM 0 HG3 ARG A 386 8.731 0.977 -0.259 1.00 0.50 H new ATOM 0 HD2 ARG A 386 8.783 -1.493 0.304 1.00 1.02 H new ATOM 0 HD3 ARG A 386 8.458 -1.838 -1.383 1.00 1.02 H new ATOM 0 HE ARG A 386 11.006 -1.158 -0.239 1.00 1.40 H new ATOM 0 HH11 ARG A 386 9.019 -0.670 -3.122 1.00 2.42 H new ATOM 0 HH12 ARG A 386 10.412 -0.387 -4.171 1.00 2.42 H new ATOM 0 HH21 ARG A 386 12.781 -0.787 -1.592 1.00 2.39 H new ATOM 0 HH22 ARG A 386 12.532 -0.453 -3.309 1.00 2.39 H new ATOM 398 N ARG A 387 6.397 2.994 -2.358 1.00 0.41 N ATOM 399 CA ARG A 387 6.375 3.447 -3.745 1.00 0.51 C ATOM 400 C ARG A 387 7.305 2.596 -4.601 1.00 0.49 C ATOM 401 O ARG A 387 8.140 1.856 -4.080 1.00 0.47 O ATOM 402 CB ARG A 387 6.764 4.922 -3.842 1.00 0.63 C ATOM 403 CG ARG A 387 5.743 5.870 -3.226 1.00 0.84 C ATOM 404 CD ARG A 387 4.551 6.104 -4.147 1.00 0.94 C ATOM 405 NE ARG A 387 3.820 4.871 -4.433 1.00 1.32 N ATOM 406 CZ ARG A 387 2.773 4.808 -5.252 1.00 1.79 C ATOM 407 NH1 ARG A 387 2.334 5.901 -5.861 1.00 2.30 N ATOM 408 NH2 ARG A 387 2.164 3.648 -5.461 1.00 2.25 N ATOM 0 H ARG A 387 6.825 3.649 -1.703 1.00 0.41 H new ATOM 0 HA ARG A 387 5.358 3.336 -4.121 1.00 0.51 H new ATOM 0 HB2 ARG A 387 7.725 5.068 -3.349 1.00 0.63 H new ATOM 0 HB3 ARG A 387 6.902 5.183 -4.891 1.00 0.63 H new ATOM 0 HG2 ARG A 387 5.394 5.460 -2.278 1.00 0.84 H new ATOM 0 HG3 ARG A 387 6.222 6.824 -3.004 1.00 0.84 H new ATOM 0 HD2 ARG A 387 3.876 6.826 -3.687 1.00 0.94 H new ATOM 0 HD3 ARG A 387 4.898 6.543 -5.082 1.00 0.94 H new ATOM 0 HE ARG A 387 4.130 4.011 -3.980 1.00 1.32 H new ATOM 0 HH11 ARG A 387 2.799 6.795 -5.703 1.00 2.30 H new ATOM 0 HH12 ARG A 387 1.531 5.848 -6.488 1.00 2.30 H new ATOM 0 HH21 ARG A 387 2.498 2.805 -4.994 1.00 2.25 H new ATOM 0 HH22 ARG A 387 1.361 3.599 -6.089 1.00 2.25 H new ATOM 422 N GLU A 388 7.142 2.698 -5.914 1.00 0.64 N ATOM 423 CA GLU A 388 7.953 1.929 -6.854 1.00 0.69 C ATOM 424 C GLU A 388 9.446 2.090 -6.572 1.00 0.61 C ATOM 425 O GLU A 388 10.192 1.111 -6.573 1.00 0.63 O ATOM 426 CB GLU A 388 7.645 2.349 -8.296 1.00 0.88 C ATOM 427 CG GLU A 388 7.969 3.805 -8.604 1.00 1.58 C ATOM 428 CD GLU A 388 7.106 4.780 -7.826 1.00 2.20 C ATOM 429 OE1 GLU A 388 5.869 4.740 -7.990 1.00 2.65 O ATOM 430 OE2 GLU A 388 7.669 5.583 -7.052 1.00 2.82 O ATOM 0 H GLU A 388 6.453 3.308 -6.355 1.00 0.64 H new ATOM 0 HA GLU A 388 7.697 0.878 -6.724 1.00 0.69 H new ATOM 0 HB2 GLU A 388 8.209 1.711 -8.977 1.00 0.88 H new ATOM 0 HB3 GLU A 388 6.588 2.173 -8.496 1.00 0.88 H new ATOM 0 HG2 GLU A 388 9.018 3.994 -8.376 1.00 1.58 H new ATOM 0 HG3 GLU A 388 7.838 3.983 -9.671 1.00 1.58 H new ATOM 437 N ASP A 389 9.879 3.325 -6.337 1.00 0.65 N ATOM 438 CA ASP A 389 11.285 3.598 -6.063 1.00 0.69 C ATOM 439 C ASP A 389 11.711 3.052 -4.701 1.00 0.64 C ATOM 440 O ASP A 389 12.840 2.588 -4.539 1.00 0.91 O ATOM 441 CB ASP A 389 11.569 5.103 -6.145 1.00 0.81 C ATOM 442 CG ASP A 389 10.670 5.929 -5.243 1.00 0.80 C ATOM 443 OD1 ASP A 389 9.783 5.339 -4.590 1.00 1.06 O ATOM 444 OD2 ASP A 389 10.855 7.162 -5.179 1.00 1.23 O ATOM 0 H ASP A 389 9.279 4.150 -6.331 1.00 0.65 H new ATOM 0 HA ASP A 389 11.872 3.086 -6.825 1.00 0.69 H new ATOM 0 HB2 ASP A 389 12.609 5.285 -5.876 1.00 0.81 H new ATOM 0 HB3 ASP A 389 11.443 5.435 -7.176 1.00 0.81 H new ATOM 449 N GLY A 390 10.808 3.110 -3.726 1.00 0.55 N ATOM 450 CA GLY A 390 11.123 2.617 -2.397 1.00 0.53 C ATOM 451 C GLY A 390 10.593 3.520 -1.301 1.00 0.55 C ATOM 452 O GLY A 390 10.237 3.054 -0.218 1.00 1.03 O ATOM 0 H GLY A 390 9.867 3.488 -3.832 1.00 0.55 H new ATOM 0 HA2 GLY A 390 10.704 1.618 -2.275 1.00 0.53 H new ATOM 0 HA3 GLY A 390 12.204 2.523 -2.295 1.00 0.53 H new ATOM 456 N THR A 391 10.554 4.818 -1.581 1.00 0.57 N ATOM 457 CA THR A 391 10.078 5.801 -0.616 1.00 0.54 C ATOM 458 C THR A 391 8.640 5.522 -0.191 1.00 0.41 C ATOM 459 O THR A 391 7.708 5.641 -0.986 1.00 0.44 O ATOM 460 CB THR A 391 10.167 7.229 -1.183 1.00 0.71 C ATOM 461 OG1 THR A 391 9.407 7.325 -2.393 1.00 0.98 O ATOM 462 CG2 THR A 391 11.614 7.610 -1.454 1.00 0.88 C ATOM 0 H THR A 391 10.848 5.215 -2.473 1.00 0.57 H new ATOM 0 HA THR A 391 10.726 5.719 0.257 1.00 0.54 H new ATOM 0 HB THR A 391 9.757 7.918 -0.444 1.00 0.71 H new ATOM 0 HG1 THR A 391 8.555 6.854 -2.282 1.00 0.98 H new ATOM 0 HG21 THR A 391 11.655 8.623 -1.854 1.00 0.88 H new ATOM 0 HG22 THR A 391 12.182 7.564 -0.525 1.00 0.88 H new ATOM 0 HG23 THR A 391 12.044 6.917 -2.177 1.00 0.88 H new ATOM 470 N VAL A 392 8.475 5.143 1.070 1.00 0.37 N ATOM 471 CA VAL A 392 7.158 4.843 1.618 1.00 0.33 C ATOM 472 C VAL A 392 6.341 6.118 1.828 1.00 0.32 C ATOM 473 O VAL A 392 6.872 7.147 2.249 1.00 0.41 O ATOM 474 CB VAL A 392 7.273 4.086 2.955 1.00 0.45 C ATOM 475 CG1 VAL A 392 5.897 3.735 3.499 1.00 0.55 C ATOM 476 CG2 VAL A 392 8.120 2.834 2.789 1.00 0.52 C ATOM 0 H VAL A 392 9.241 5.036 1.735 1.00 0.37 H new ATOM 0 HA VAL A 392 6.646 4.211 0.892 1.00 0.33 H new ATOM 0 HB VAL A 392 7.764 4.740 3.675 1.00 0.45 H new ATOM 0 HG11 VAL A 392 6.004 3.201 4.443 1.00 0.55 H new ATOM 0 HG12 VAL A 392 5.326 4.649 3.662 1.00 0.55 H new ATOM 0 HG13 VAL A 392 5.373 3.103 2.782 1.00 0.55 H new ATOM 0 HG21 VAL A 392 8.190 2.313 3.744 1.00 0.52 H new ATOM 0 HG22 VAL A 392 7.659 2.178 2.050 1.00 0.52 H new ATOM 0 HG23 VAL A 392 9.119 3.112 2.454 1.00 0.52 H new ATOM 486 N HIS A 393 5.047 6.037 1.535 1.00 0.29 N ATOM 487 CA HIS A 393 4.141 7.170 1.690 1.00 0.31 C ATOM 488 C HIS A 393 2.800 6.715 2.257 1.00 0.27 C ATOM 489 O HIS A 393 2.264 5.685 1.848 1.00 0.26 O ATOM 490 CB HIS A 393 3.934 7.879 0.347 1.00 0.37 C ATOM 491 CG HIS A 393 5.036 8.829 -0.006 1.00 0.92 C ATOM 492 ND1 HIS A 393 5.453 9.839 0.836 1.00 1.92 N ATOM 493 CD2 HIS A 393 5.799 8.932 -1.118 1.00 0.94 C ATOM 494 CE1 HIS A 393 6.424 10.521 0.257 1.00 2.43 C ATOM 495 NE2 HIS A 393 6.653 9.990 -0.929 1.00 1.82 N ATOM 0 H HIS A 393 4.599 5.190 1.186 1.00 0.29 H new ATOM 0 HA HIS A 393 4.592 7.873 2.391 1.00 0.31 H new ATOM 0 HB2 HIS A 393 3.846 7.130 -0.440 1.00 0.37 H new ATOM 0 HB3 HIS A 393 2.991 8.424 0.375 1.00 0.37 H new ATOM 0 HD2 HIS A 393 5.746 8.300 -1.992 1.00 0.94 H new ATOM 0 HE1 HIS A 393 6.942 11.368 0.681 1.00 2.43 H new ATOM 0 HE2 HIS A 393 7.352 10.314 -1.598 1.00 1.82 H new ATOM 504 N ARG A 394 2.260 7.485 3.201 1.00 0.29 N ATOM 505 CA ARG A 394 0.984 7.154 3.819 1.00 0.28 C ATOM 506 C ARG A 394 -0.138 7.155 2.786 1.00 0.26 C ATOM 507 O ARG A 394 -0.127 7.944 1.841 1.00 0.32 O ATOM 508 CB ARG A 394 0.680 8.130 4.960 1.00 0.35 C ATOM 509 CG ARG A 394 1.422 7.815 6.248 1.00 0.42 C ATOM 510 CD ARG A 394 1.066 8.803 7.346 1.00 0.52 C ATOM 511 NE ARG A 394 1.756 8.512 8.602 1.00 1.34 N ATOM 512 CZ ARG A 394 3.075 8.589 8.756 1.00 2.01 C ATOM 513 NH1 ARG A 394 3.847 8.953 7.741 1.00 2.41 N ATOM 514 NH2 ARG A 394 3.624 8.307 9.930 1.00 2.96 N ATOM 0 H ARG A 394 2.689 8.341 3.552 1.00 0.29 H new ATOM 0 HA ARG A 394 1.051 6.148 4.234 1.00 0.28 H new ATOM 0 HB2 ARG A 394 0.937 9.140 4.641 1.00 0.35 H new ATOM 0 HB3 ARG A 394 -0.392 8.122 5.157 1.00 0.35 H new ATOM 0 HG2 ARG A 394 1.178 6.804 6.573 1.00 0.42 H new ATOM 0 HG3 ARG A 394 2.497 7.841 6.067 1.00 0.42 H new ATOM 0 HD2 ARG A 394 1.320 9.812 7.020 1.00 0.52 H new ATOM 0 HD3 ARG A 394 -0.011 8.784 7.513 1.00 0.52 H new ATOM 0 HE ARG A 394 1.194 8.234 9.406 1.00 1.34 H new ATOM 0 HH11 ARG A 394 3.430 9.175 6.837 1.00 2.41 H new ATOM 0 HH12 ARG A 394 4.858 9.011 7.864 1.00 2.41 H new ATOM 0 HH21 ARG A 394 3.035 8.031 10.715 1.00 2.96 H new ATOM 0 HH22 ARG A 394 4.635 8.366 10.047 1.00 2.96 H new ATOM 528 N GLY A 395 -1.097 6.253 2.967 1.00 0.23 N ATOM 529 CA GLY A 395 -2.208 6.148 2.042 1.00 0.25 C ATOM 530 C GLY A 395 -3.362 5.350 2.614 1.00 0.23 C ATOM 531 O GLY A 395 -3.164 4.284 3.199 1.00 0.26 O ATOM 0 H GLY A 395 -1.123 5.590 3.742 1.00 0.23 H new ATOM 0 HA2 GLY A 395 -2.555 7.148 1.780 1.00 0.25 H new ATOM 0 HA3 GLY A 395 -1.866 5.678 1.120 1.00 0.25 H new ATOM 535 N GLN A 396 -4.569 5.874 2.449 1.00 0.29 N ATOM 536 CA GLN A 396 -5.770 5.219 2.952 1.00 0.34 C ATOM 537 C GLN A 396 -6.256 4.134 1.998 1.00 0.35 C ATOM 538 O GLN A 396 -6.385 4.369 0.800 1.00 0.46 O ATOM 539 CB GLN A 396 -6.878 6.254 3.150 1.00 0.43 C ATOM 540 CG GLN A 396 -6.513 7.350 4.135 1.00 0.50 C ATOM 541 CD GLN A 396 -7.605 8.384 4.295 1.00 0.64 C ATOM 542 OE1 GLN A 396 -8.133 8.910 3.315 1.00 1.28 O ATOM 543 NE2 GLN A 396 -7.928 8.698 5.539 1.00 0.61 N ATOM 0 H GLN A 396 -4.743 6.756 1.968 1.00 0.29 H new ATOM 0 HA GLN A 396 -5.522 4.750 3.904 1.00 0.34 H new ATOM 0 HB2 GLN A 396 -7.118 6.706 2.188 1.00 0.43 H new ATOM 0 HB3 GLN A 396 -7.779 5.748 3.498 1.00 0.43 H new ATOM 0 HG2 GLN A 396 -6.298 6.903 5.105 1.00 0.50 H new ATOM 0 HG3 GLN A 396 -5.599 7.842 3.801 1.00 0.50 H new ATOM 0 HE21 GLN A 396 -7.462 8.235 6.319 1.00 0.61 H new ATOM 0 HE22 GLN A 396 -8.643 9.404 5.718 1.00 0.61 H new ATOM 552 N VAL A 397 -6.556 2.956 2.537 1.00 0.33 N ATOM 553 CA VAL A 397 -7.068 1.861 1.722 1.00 0.33 C ATOM 554 C VAL A 397 -8.579 1.790 1.878 1.00 0.33 C ATOM 555 O VAL A 397 -9.092 1.691 2.993 1.00 0.37 O ATOM 556 CB VAL A 397 -6.440 0.505 2.100 1.00 0.38 C ATOM 557 CG1 VAL A 397 -6.771 -0.547 1.058 1.00 0.73 C ATOM 558 CG2 VAL A 397 -4.937 0.640 2.280 1.00 0.83 C ATOM 0 H VAL A 397 -6.454 2.737 3.528 1.00 0.33 H new ATOM 0 HA VAL A 397 -6.799 2.061 0.685 1.00 0.33 H new ATOM 0 HB VAL A 397 -6.865 0.183 3.051 1.00 0.38 H new ATOM 0 HG11 VAL A 397 -6.319 -1.497 1.343 1.00 0.73 H new ATOM 0 HG12 VAL A 397 -7.852 -0.666 0.992 1.00 0.73 H new ATOM 0 HG13 VAL A 397 -6.380 -0.235 0.089 1.00 0.73 H new ATOM 0 HG21 VAL A 397 -4.514 -0.329 2.546 1.00 0.83 H new ATOM 0 HG22 VAL A 397 -4.489 0.988 1.349 1.00 0.83 H new ATOM 0 HG23 VAL A 397 -4.729 1.358 3.074 1.00 0.83 H new ATOM 568 N LEU A 398 -9.292 1.899 0.765 1.00 0.36 N ATOM 569 CA LEU A 398 -10.744 1.910 0.795 1.00 0.40 C ATOM 570 C LEU A 398 -11.357 0.656 0.169 1.00 0.41 C ATOM 571 O LEU A 398 -12.331 0.112 0.688 1.00 0.47 O ATOM 572 CB LEU A 398 -11.249 3.162 0.076 1.00 0.46 C ATOM 573 CG LEU A 398 -10.585 4.482 0.503 1.00 0.49 C ATOM 574 CD1 LEU A 398 -10.642 4.658 2.013 1.00 1.16 C ATOM 575 CD2 LEU A 398 -9.149 4.560 0.006 1.00 1.45 C ATOM 0 H LEU A 398 -8.887 1.981 -0.168 1.00 0.36 H new ATOM 0 HA LEU A 398 -11.056 1.920 1.839 1.00 0.40 H new ATOM 0 HB2 LEU A 398 -11.099 3.030 -0.996 1.00 0.46 H new ATOM 0 HB3 LEU A 398 -12.323 3.246 0.240 1.00 0.46 H new ATOM 0 HG LEU A 398 -11.145 5.297 0.045 1.00 0.49 H new ATOM 0 HD11 LEU A 398 -10.166 5.599 2.288 1.00 1.16 H new ATOM 0 HD12 LEU A 398 -11.682 4.669 2.339 1.00 1.16 H new ATOM 0 HD13 LEU A 398 -10.119 3.832 2.496 1.00 1.16 H new ATOM 0 HD21 LEU A 398 -8.705 5.504 0.323 1.00 1.45 H new ATOM 0 HD22 LEU A 398 -8.575 3.732 0.421 1.00 1.45 H new ATOM 0 HD23 LEU A 398 -9.137 4.501 -1.082 1.00 1.45 H new ATOM 587 N GLN A 399 -10.803 0.210 -0.954 1.00 0.39 N ATOM 588 CA GLN A 399 -11.328 -0.967 -1.643 1.00 0.43 C ATOM 589 C GLN A 399 -10.217 -1.936 -2.034 1.00 0.38 C ATOM 590 O GLN A 399 -9.036 -1.665 -1.821 1.00 0.35 O ATOM 591 CB GLN A 399 -12.115 -0.550 -2.886 1.00 0.49 C ATOM 592 CG GLN A 399 -13.334 0.303 -2.578 1.00 0.60 C ATOM 593 CD GLN A 399 -14.112 0.706 -3.821 1.00 1.36 C ATOM 594 OE1 GLN A 399 -15.132 1.388 -3.730 1.00 2.08 O ATOM 595 NE2 GLN A 399 -13.637 0.289 -4.991 1.00 2.04 N ATOM 0 H GLN A 399 -9.996 0.641 -1.405 1.00 0.39 H new ATOM 0 HA GLN A 399 -11.993 -1.481 -0.949 1.00 0.43 H new ATOM 0 HB2 GLN A 399 -11.455 0.003 -3.555 1.00 0.49 H new ATOM 0 HB3 GLN A 399 -12.434 -1.445 -3.421 1.00 0.49 H new ATOM 0 HG2 GLN A 399 -13.994 -0.246 -1.906 1.00 0.60 H new ATOM 0 HG3 GLN A 399 -13.017 1.201 -2.049 1.00 0.60 H new ATOM 0 HE21 GLN A 399 -12.788 -0.275 -5.025 1.00 2.04 H new ATOM 0 HE22 GLN A 399 -14.122 0.533 -5.855 1.00 2.04 H new ATOM 604 N SER A 400 -10.614 -3.072 -2.602 1.00 0.42 N ATOM 605 CA SER A 400 -9.665 -4.095 -3.026 1.00 0.41 C ATOM 606 C SER A 400 -10.327 -5.091 -3.974 1.00 0.47 C ATOM 607 O SER A 400 -11.522 -5.367 -3.858 1.00 0.54 O ATOM 608 CB SER A 400 -9.091 -4.828 -1.814 1.00 0.47 C ATOM 609 OG SER A 400 -10.110 -5.494 -1.090 1.00 0.56 O ATOM 0 H SER A 400 -11.591 -3.307 -2.779 1.00 0.42 H new ATOM 0 HA SER A 400 -8.851 -3.601 -3.557 1.00 0.41 H new ATOM 0 HB2 SER A 400 -8.343 -5.550 -2.142 1.00 0.47 H new ATOM 0 HB3 SER A 400 -8.583 -4.117 -1.162 1.00 0.47 H new ATOM 0 HG SER A 400 -9.716 -5.956 -0.321 1.00 0.56 H new ATOM 615 N ARG A 401 -9.551 -5.621 -4.920 1.00 0.51 N ATOM 616 CA ARG A 401 -10.078 -6.576 -5.888 1.00 0.60 C ATOM 617 C ARG A 401 -8.957 -7.385 -6.541 1.00 0.73 C ATOM 618 O ARG A 401 -7.950 -6.832 -6.981 1.00 0.86 O ATOM 619 CB ARG A 401 -10.858 -5.835 -6.979 1.00 0.65 C ATOM 620 CG ARG A 401 -9.961 -5.042 -7.918 1.00 0.72 C ATOM 621 CD ARG A 401 -10.749 -4.317 -8.994 1.00 0.91 C ATOM 622 NE ARG A 401 -9.862 -3.681 -9.965 1.00 1.02 N ATOM 623 CZ ARG A 401 -10.284 -2.965 -11.002 1.00 1.25 C ATOM 624 NH1 ARG A 401 -11.582 -2.791 -11.213 1.00 1.55 N ATOM 625 NH2 ARG A 401 -9.402 -2.423 -11.830 1.00 1.43 N ATOM 0 H ARG A 401 -8.561 -5.405 -5.034 1.00 0.51 H new ATOM 0 HA ARG A 401 -10.736 -7.261 -5.354 1.00 0.60 H new ATOM 0 HB2 ARG A 401 -11.434 -6.556 -7.559 1.00 0.65 H new ATOM 0 HB3 ARG A 401 -11.573 -5.158 -6.511 1.00 0.65 H new ATOM 0 HG2 ARG A 401 -9.386 -4.317 -7.342 1.00 0.72 H new ATOM 0 HG3 ARG A 401 -9.245 -5.716 -8.388 1.00 0.72 H new ATOM 0 HD2 ARG A 401 -11.405 -5.022 -9.505 1.00 0.91 H new ATOM 0 HD3 ARG A 401 -11.388 -3.563 -8.534 1.00 0.91 H new ATOM 0 HE ARG A 401 -8.856 -3.793 -9.839 1.00 1.02 H new ATOM 0 HH11 ARG A 401 -12.262 -3.208 -10.578 1.00 1.55 H new ATOM 0 HH12 ARG A 401 -11.900 -2.240 -12.011 1.00 1.55 H new ATOM 0 HH21 ARG A 401 -8.403 -2.556 -11.670 1.00 1.43 H new ATOM 0 HH22 ARG A 401 -9.722 -1.873 -12.627 1.00 1.43 H new ATOM 639 N THR A 402 -9.153 -8.695 -6.629 1.00 0.82 N ATOM 640 CA THR A 402 -8.177 -9.573 -7.259 1.00 0.99 C ATOM 641 C THR A 402 -8.346 -9.539 -8.773 1.00 1.16 C ATOM 642 O THR A 402 -9.468 -9.556 -9.282 1.00 1.79 O ATOM 643 CB THR A 402 -8.324 -11.021 -6.766 1.00 1.14 C ATOM 644 OG1 THR A 402 -9.681 -11.456 -6.914 1.00 1.38 O ATOM 645 CG2 THR A 402 -7.898 -11.147 -5.314 1.00 1.29 C ATOM 0 H THR A 402 -9.980 -9.172 -6.271 1.00 0.82 H new ATOM 0 HA THR A 402 -7.184 -9.214 -6.987 1.00 0.99 H new ATOM 0 HB THR A 402 -7.674 -11.653 -7.371 1.00 1.14 H new ATOM 0 HG1 THR A 402 -9.786 -12.344 -6.512 1.00 1.38 H new ATOM 0 HG21 THR A 402 -8.012 -12.181 -4.990 1.00 1.29 H new ATOM 0 HG22 THR A 402 -6.855 -10.848 -5.214 1.00 1.29 H new ATOM 0 HG23 THR A 402 -8.521 -10.502 -4.695 1.00 1.29 H new ATOM 653 N THR A 403 -7.231 -9.484 -9.488 1.00 1.43 N ATOM 654 CA THR A 403 -7.255 -9.438 -10.945 1.00 1.62 C ATOM 655 C THR A 403 -7.897 -10.706 -11.518 1.00 1.84 C ATOM 656 O THR A 403 -8.420 -11.533 -10.771 1.00 1.85 O ATOM 657 CB THR A 403 -5.830 -9.264 -11.508 1.00 1.77 C ATOM 658 OG1 THR A 403 -5.082 -8.382 -10.661 1.00 1.78 O ATOM 659 CG2 THR A 403 -5.863 -8.682 -12.914 1.00 1.95 C ATOM 0 H THR A 403 -6.295 -9.470 -9.082 1.00 1.43 H new ATOM 0 HA THR A 403 -7.855 -8.579 -11.245 1.00 1.62 H new ATOM 0 HB THR A 403 -5.359 -10.246 -11.544 1.00 1.77 H new ATOM 0 HG1 THR A 403 -4.176 -8.274 -11.020 1.00 1.78 H new ATOM 0 HG21 THR A 403 -4.844 -8.570 -13.286 1.00 1.95 H new ATOM 0 HG22 THR A 403 -6.418 -9.351 -13.572 1.00 1.95 H new ATOM 0 HG23 THR A 403 -6.350 -7.707 -12.893 1.00 1.95 H new ATOM 667 N GLU A 404 -7.869 -10.844 -12.845 1.00 2.08 N ATOM 668 CA GLU A 404 -8.459 -11.999 -13.524 1.00 2.34 C ATOM 669 C GLU A 404 -8.152 -13.307 -12.798 1.00 2.30 C ATOM 670 O GLU A 404 -9.023 -14.168 -12.665 1.00 2.37 O ATOM 671 CB GLU A 404 -7.951 -12.080 -14.965 1.00 2.72 C ATOM 672 CG GLU A 404 -8.292 -10.856 -15.800 1.00 2.91 C ATOM 673 CD GLU A 404 -7.780 -10.962 -17.223 1.00 3.42 C ATOM 674 OE1 GLU A 404 -8.183 -11.909 -17.930 1.00 3.79 O ATOM 675 OE2 GLU A 404 -6.976 -10.096 -17.630 1.00 3.87 O ATOM 0 H GLU A 404 -7.441 -10.165 -13.474 1.00 2.08 H new ATOM 0 HA GLU A 404 -9.540 -11.860 -13.521 1.00 2.34 H new ATOM 0 HB2 GLU A 404 -6.869 -12.212 -14.953 1.00 2.72 H new ATOM 0 HB3 GLU A 404 -8.374 -12.964 -15.442 1.00 2.72 H new ATOM 0 HG2 GLU A 404 -9.373 -10.721 -15.816 1.00 2.91 H new ATOM 0 HG3 GLU A 404 -7.867 -9.969 -15.330 1.00 2.91 H new ATOM 682 N ASN A 405 -6.916 -13.456 -12.332 1.00 2.26 N ATOM 683 CA ASN A 405 -6.508 -14.666 -11.624 1.00 2.30 C ATOM 684 C ASN A 405 -7.398 -14.904 -10.406 1.00 2.07 C ATOM 685 O ASN A 405 -7.906 -16.007 -10.203 1.00 2.40 O ATOM 686 CB ASN A 405 -5.043 -14.560 -11.196 1.00 2.43 C ATOM 687 CG ASN A 405 -4.541 -15.819 -10.516 1.00 2.67 C ATOM 688 OD1 ASN A 405 -5.048 -16.218 -9.469 1.00 3.16 O ATOM 689 ND2 ASN A 405 -3.538 -16.453 -11.113 1.00 2.73 N ATOM 0 H ASN A 405 -6.181 -12.756 -12.431 1.00 2.26 H new ATOM 0 HA ASN A 405 -6.617 -15.514 -12.301 1.00 2.30 H new ATOM 0 HB2 ASN A 405 -4.427 -14.354 -12.071 1.00 2.43 H new ATOM 0 HB3 ASN A 405 -4.927 -13.714 -10.518 1.00 2.43 H new ATOM 0 HD21 ASN A 405 -3.158 -17.307 -10.703 1.00 2.73 H new ATOM 0 HD22 ASN A 405 -3.147 -16.086 -11.981 1.00 2.73 H new ATOM 696 N ALA A 406 -7.590 -13.857 -9.608 1.00 1.82 N ATOM 697 CA ALA A 406 -8.429 -13.935 -8.416 1.00 1.67 C ATOM 698 C ALA A 406 -7.965 -15.029 -7.462 1.00 1.85 C ATOM 699 O ALA A 406 -8.729 -15.929 -7.112 1.00 2.18 O ATOM 700 CB ALA A 406 -9.883 -14.147 -8.803 1.00 1.72 C ATOM 0 H ALA A 406 -7.173 -12.940 -9.767 1.00 1.82 H new ATOM 0 HA ALA A 406 -8.337 -12.985 -7.890 1.00 1.67 H new ATOM 0 HB1 ALA A 406 -10.495 -14.203 -7.903 1.00 1.72 H new ATOM 0 HB2 ALA A 406 -10.220 -13.314 -9.420 1.00 1.72 H new ATOM 0 HB3 ALA A 406 -9.978 -15.076 -9.365 1.00 1.72 H new ATOM 706 N ALA A 407 -6.710 -14.940 -7.038 1.00 1.91 N ATOM 707 CA ALA A 407 -6.140 -15.914 -6.119 1.00 2.19 C ATOM 708 C ALA A 407 -4.797 -15.431 -5.591 1.00 2.37 C ATOM 709 O ALA A 407 -4.060 -16.186 -4.956 1.00 2.77 O ATOM 710 CB ALA A 407 -5.978 -17.254 -6.813 1.00 2.38 C ATOM 0 H ALA A 407 -6.067 -14.200 -7.318 1.00 1.91 H new ATOM 0 HA ALA A 407 -6.820 -16.032 -5.275 1.00 2.19 H new ATOM 0 HB1 ALA A 407 -5.551 -17.975 -6.116 1.00 2.38 H new ATOM 0 HB2 ALA A 407 -6.952 -17.609 -7.151 1.00 2.38 H new ATOM 0 HB3 ALA A 407 -5.315 -17.142 -7.671 1.00 2.38 H new ATOM 716 N ALA A 408 -4.490 -14.167 -5.865 1.00 2.15 N ATOM 717 CA ALA A 408 -3.234 -13.563 -5.435 1.00 2.35 C ATOM 718 C ALA A 408 -3.121 -12.100 -5.879 1.00 2.05 C ATOM 719 O ALA A 408 -2.676 -11.254 -5.105 1.00 1.99 O ATOM 720 CB ALA A 408 -2.050 -14.361 -5.965 1.00 2.76 C ATOM 0 H ALA A 408 -5.099 -13.537 -6.387 1.00 2.15 H new ATOM 0 HA ALA A 408 -3.222 -13.582 -4.345 1.00 2.35 H new ATOM 0 HB1 ALA A 408 -1.121 -13.896 -5.635 1.00 2.76 H new ATOM 0 HB2 ALA A 408 -2.100 -15.382 -5.586 1.00 2.76 H new ATOM 0 HB3 ALA A 408 -2.080 -14.377 -7.054 1.00 2.76 H new ATOM 726 N PRO A 409 -3.490 -11.779 -7.144 1.00 1.99 N ATOM 727 CA PRO A 409 -3.395 -10.413 -7.678 1.00 1.80 C ATOM 728 C PRO A 409 -4.422 -9.444 -7.102 1.00 1.41 C ATOM 729 O PRO A 409 -5.082 -8.716 -7.842 1.00 1.86 O ATOM 730 CB PRO A 409 -3.612 -10.585 -9.189 1.00 2.10 C ATOM 731 CG PRO A 409 -3.546 -12.054 -9.440 1.00 2.49 C ATOM 732 CD PRO A 409 -3.990 -12.708 -8.167 1.00 2.27 C ATOM 0 HA PRO A 409 -2.435 -9.970 -7.413 1.00 1.80 H new ATOM 0 HB2 PRO A 409 -4.576 -10.178 -9.495 1.00 2.10 H new ATOM 0 HB3 PRO A 409 -2.847 -10.056 -9.757 1.00 2.10 H new ATOM 0 HG2 PRO A 409 -4.192 -12.338 -10.271 1.00 2.49 H new ATOM 0 HG3 PRO A 409 -2.534 -12.360 -9.704 1.00 2.49 H new ATOM 0 HD2 PRO A 409 -5.074 -12.816 -8.122 1.00 2.27 H new ATOM 0 HD3 PRO A 409 -3.565 -13.705 -8.053 1.00 2.27 H new ATOM 740 N ASP A 410 -4.532 -9.414 -5.783 1.00 0.92 N ATOM 741 CA ASP A 410 -5.456 -8.508 -5.124 1.00 0.79 C ATOM 742 C ASP A 410 -4.879 -7.092 -5.081 1.00 0.68 C ATOM 743 O ASP A 410 -3.755 -6.882 -4.625 1.00 0.93 O ATOM 744 CB ASP A 410 -5.773 -9.013 -3.714 1.00 1.18 C ATOM 745 CG ASP A 410 -4.527 -9.346 -2.913 1.00 1.62 C ATOM 746 OD1 ASP A 410 -3.708 -8.429 -2.685 1.00 2.14 O ATOM 747 OD2 ASP A 410 -4.368 -10.517 -2.515 1.00 1.99 O ATOM 0 H ASP A 410 -3.994 -10.006 -5.150 1.00 0.92 H new ATOM 0 HA ASP A 410 -6.384 -8.476 -5.694 1.00 0.79 H new ATOM 0 HB2 ASP A 410 -6.349 -8.255 -3.183 1.00 1.18 H new ATOM 0 HB3 ASP A 410 -6.402 -9.900 -3.784 1.00 1.18 H new ATOM 752 N GLU A 411 -5.652 -6.127 -5.567 1.00 0.54 N ATOM 753 CA GLU A 411 -5.221 -4.733 -5.591 1.00 0.45 C ATOM 754 C GLU A 411 -6.085 -3.893 -4.664 1.00 0.40 C ATOM 755 O GLU A 411 -7.304 -4.023 -4.661 1.00 0.42 O ATOM 756 CB GLU A 411 -5.298 -4.179 -7.013 1.00 0.49 C ATOM 757 CG GLU A 411 -4.453 -4.950 -8.011 1.00 0.58 C ATOM 758 CD GLU A 411 -4.527 -4.370 -9.410 1.00 1.47 C ATOM 759 OE1 GLU A 411 -4.157 -3.190 -9.582 1.00 2.08 O ATOM 760 OE2 GLU A 411 -4.955 -5.096 -10.331 1.00 2.10 O ATOM 0 H GLU A 411 -6.584 -6.285 -5.951 1.00 0.54 H new ATOM 0 HA GLU A 411 -4.188 -4.688 -5.247 1.00 0.45 H new ATOM 0 HB2 GLU A 411 -6.337 -4.191 -7.343 1.00 0.49 H new ATOM 0 HB3 GLU A 411 -4.978 -3.137 -7.006 1.00 0.49 H new ATOM 0 HG2 GLU A 411 -3.415 -4.952 -7.677 1.00 0.58 H new ATOM 0 HG3 GLU A 411 -4.783 -5.989 -8.035 1.00 0.58 H new ATOM 767 N TYR A 412 -5.450 -3.041 -3.870 1.00 0.38 N ATOM 768 CA TYR A 412 -6.176 -2.198 -2.928 1.00 0.35 C ATOM 769 C TYR A 412 -6.110 -0.725 -3.314 1.00 0.33 C ATOM 770 O TYR A 412 -5.039 -0.195 -3.610 1.00 0.34 O ATOM 771 CB TYR A 412 -5.609 -2.363 -1.517 1.00 0.39 C ATOM 772 CG TYR A 412 -5.639 -3.778 -0.981 1.00 0.45 C ATOM 773 CD1 TYR A 412 -4.951 -4.802 -1.619 1.00 0.50 C ATOM 774 CD2 TYR A 412 -6.352 -4.085 0.171 1.00 0.53 C ATOM 775 CE1 TYR A 412 -4.972 -6.090 -1.125 1.00 0.58 C ATOM 776 CE2 TYR A 412 -6.379 -5.373 0.671 1.00 0.61 C ATOM 777 CZ TYR A 412 -5.687 -6.370 0.018 1.00 0.62 C ATOM 778 OH TYR A 412 -5.707 -7.651 0.511 1.00 0.72 O ATOM 0 H TYR A 412 -4.438 -2.915 -3.859 1.00 0.38 H new ATOM 0 HA TYR A 412 -7.218 -2.518 -2.954 1.00 0.35 H new ATOM 0 HB2 TYR A 412 -4.578 -2.009 -1.512 1.00 0.39 H new ATOM 0 HB3 TYR A 412 -6.170 -1.721 -0.838 1.00 0.39 H new ATOM 0 HD1 TYR A 412 -4.390 -4.586 -2.517 1.00 0.50 H new ATOM 0 HD2 TYR A 412 -6.894 -3.304 0.684 1.00 0.53 H new ATOM 0 HE1 TYR A 412 -4.430 -6.875 -1.632 1.00 0.58 H new ATOM 0 HE2 TYR A 412 -6.939 -5.597 1.567 1.00 0.61 H new ATOM 0 HH TYR A 412 -5.613 -7.628 1.486 1.00 0.72 H new ATOM 788 N TYR A 413 -7.260 -0.061 -3.266 1.00 0.33 N ATOM 789 CA TYR A 413 -7.337 1.362 -3.567 1.00 0.32 C ATOM 790 C TYR A 413 -6.583 2.129 -2.492 1.00 0.32 C ATOM 791 O TYR A 413 -6.677 1.789 -1.313 1.00 0.40 O ATOM 792 CB TYR A 413 -8.795 1.815 -3.598 1.00 0.36 C ATOM 793 CG TYR A 413 -8.984 3.240 -4.068 1.00 0.38 C ATOM 794 CD1 TYR A 413 -8.355 3.701 -5.219 1.00 0.40 C ATOM 795 CD2 TYR A 413 -9.793 4.123 -3.365 1.00 0.44 C ATOM 796 CE1 TYR A 413 -8.527 5.001 -5.654 1.00 0.44 C ATOM 797 CE2 TYR A 413 -9.971 5.424 -3.794 1.00 0.48 C ATOM 798 CZ TYR A 413 -9.336 5.857 -4.939 1.00 0.46 C ATOM 799 OH TYR A 413 -9.510 7.153 -5.369 1.00 0.51 O ATOM 0 H TYR A 413 -8.153 -0.488 -3.021 1.00 0.33 H new ATOM 0 HA TYR A 413 -6.893 1.554 -4.544 1.00 0.32 H new ATOM 0 HB2 TYR A 413 -9.358 1.149 -4.252 1.00 0.36 H new ATOM 0 HB3 TYR A 413 -9.218 1.713 -2.599 1.00 0.36 H new ATOM 0 HD1 TYR A 413 -7.722 3.032 -5.782 1.00 0.40 H new ATOM 0 HD2 TYR A 413 -10.291 3.787 -2.468 1.00 0.44 H new ATOM 0 HE1 TYR A 413 -8.030 5.344 -6.549 1.00 0.44 H new ATOM 0 HE2 TYR A 413 -10.604 6.098 -3.236 1.00 0.48 H new ATOM 0 HH TYR A 413 -10.110 7.624 -4.754 1.00 0.51 H new ATOM 809 N VAL A 414 -5.817 3.145 -2.876 1.00 0.33 N ATOM 810 CA VAL A 414 -5.057 3.896 -1.886 1.00 0.33 C ATOM 811 C VAL A 414 -5.031 5.391 -2.159 1.00 0.29 C ATOM 812 O VAL A 414 -4.361 5.853 -3.083 1.00 0.38 O ATOM 813 CB VAL A 414 -3.601 3.405 -1.811 1.00 0.39 C ATOM 814 CG1 VAL A 414 -2.877 4.061 -0.647 1.00 1.09 C ATOM 815 CG2 VAL A 414 -3.547 1.894 -1.699 1.00 1.15 C ATOM 0 H VAL A 414 -5.707 3.461 -3.840 1.00 0.33 H new ATOM 0 HA VAL A 414 -5.572 3.722 -0.941 1.00 0.33 H new ATOM 0 HB VAL A 414 -3.095 3.691 -2.733 1.00 0.39 H new ATOM 0 HG11 VAL A 414 -1.849 3.702 -0.609 1.00 1.09 H new ATOM 0 HG12 VAL A 414 -2.879 5.143 -0.780 1.00 1.09 H new ATOM 0 HG13 VAL A 414 -3.383 3.809 0.285 1.00 1.09 H new ATOM 0 HG21 VAL A 414 -2.508 1.570 -1.647 1.00 1.15 H new ATOM 0 HG22 VAL A 414 -4.071 1.577 -0.797 1.00 1.15 H new ATOM 0 HG23 VAL A 414 -4.023 1.447 -2.572 1.00 1.15 H new ATOM 825 N HIS A 415 -5.720 6.147 -1.313 1.00 0.33 N ATOM 826 CA HIS A 415 -5.726 7.595 -1.428 1.00 0.32 C ATOM 827 C HIS A 415 -4.578 8.156 -0.593 1.00 0.32 C ATOM 828 O HIS A 415 -4.750 8.453 0.589 1.00 0.34 O ATOM 829 CB HIS A 415 -7.058 8.169 -0.940 1.00 0.37 C ATOM 830 CG HIS A 415 -7.154 9.657 -1.080 1.00 0.44 C ATOM 831 ND1 HIS A 415 -7.193 10.298 -2.301 1.00 0.50 N ATOM 832 CD2 HIS A 415 -7.208 10.634 -0.143 1.00 0.54 C ATOM 833 CE1 HIS A 415 -7.267 11.603 -2.109 1.00 0.60 C ATOM 834 NE2 HIS A 415 -7.278 11.833 -0.809 1.00 0.62 N ATOM 0 H HIS A 415 -6.279 5.780 -0.543 1.00 0.33 H new ATOM 0 HA HIS A 415 -5.600 7.876 -2.473 1.00 0.32 H new ATOM 0 HB2 HIS A 415 -7.871 7.706 -1.500 1.00 0.37 H new ATOM 0 HB3 HIS A 415 -7.198 7.901 0.107 1.00 0.37 H new ATOM 0 HD2 HIS A 415 -7.198 10.496 0.928 1.00 0.54 H new ATOM 0 HE1 HIS A 415 -7.311 12.354 -2.884 1.00 0.60 H new ATOM 0 HE2 HIS A 415 -7.330 12.752 -0.370 1.00 0.62 H new ATOM 843 N TYR A 416 -3.400 8.274 -1.203 1.00 0.37 N ATOM 844 CA TYR A 416 -2.232 8.769 -0.497 1.00 0.40 C ATOM 845 C TYR A 416 -2.473 10.153 0.073 1.00 0.45 C ATOM 846 O TYR A 416 -2.676 11.127 -0.652 1.00 0.57 O ATOM 847 CB TYR A 416 -0.997 8.785 -1.395 1.00 0.46 C ATOM 848 CG TYR A 416 -0.564 7.420 -1.882 1.00 0.47 C ATOM 849 CD1 TYR A 416 -1.386 6.657 -2.704 1.00 0.53 C ATOM 850 CD2 TYR A 416 0.672 6.898 -1.525 1.00 0.51 C ATOM 851 CE1 TYR A 416 -0.988 5.412 -3.152 1.00 0.59 C ATOM 852 CE2 TYR A 416 1.076 5.654 -1.970 1.00 0.54 C ATOM 853 CZ TYR A 416 0.243 4.915 -2.782 1.00 0.57 C ATOM 854 OH TYR A 416 0.642 3.675 -3.224 1.00 0.65 O ATOM 0 H TYR A 416 -3.235 8.033 -2.180 1.00 0.37 H new ATOM 0 HA TYR A 416 -2.049 8.081 0.328 1.00 0.40 H new ATOM 0 HB2 TYR A 416 -1.198 9.419 -2.259 1.00 0.46 H new ATOM 0 HB3 TYR A 416 -0.171 9.242 -0.850 1.00 0.46 H new ATOM 0 HD1 TYR A 416 -2.351 7.044 -2.997 1.00 0.53 H new ATOM 0 HD2 TYR A 416 1.328 7.474 -0.889 1.00 0.51 H new ATOM 0 HE1 TYR A 416 -1.638 4.831 -3.789 1.00 0.59 H new ATOM 0 HE2 TYR A 416 2.041 5.262 -1.683 1.00 0.54 H new ATOM 0 HH TYR A 416 1.580 3.527 -2.981 1.00 0.65 H new ATOM 864 N VAL A 417 -2.436 10.205 1.386 1.00 0.45 N ATOM 865 CA VAL A 417 -2.624 11.393 2.148 1.00 0.55 C ATOM 866 C VAL A 417 -1.685 12.525 1.724 1.00 0.66 C ATOM 867 O VAL A 417 -0.468 12.347 1.653 1.00 1.34 O ATOM 868 CB VAL A 417 -2.337 11.009 3.593 1.00 0.68 C ATOM 869 CG1 VAL A 417 -3.479 10.198 4.185 1.00 1.10 C ATOM 870 CG2 VAL A 417 -1.048 10.229 3.643 1.00 1.01 C ATOM 0 H VAL A 417 -2.267 9.381 1.963 1.00 0.45 H new ATOM 0 HA VAL A 417 -3.636 11.769 2.000 1.00 0.55 H new ATOM 0 HB VAL A 417 -2.241 11.915 4.191 1.00 0.68 H new ATOM 0 HG11 VAL A 417 -3.244 9.939 5.217 1.00 1.10 H new ATOM 0 HG12 VAL A 417 -4.396 10.787 4.158 1.00 1.10 H new ATOM 0 HG13 VAL A 417 -3.617 9.286 3.604 1.00 1.10 H new ATOM 0 HG21 VAL A 417 -0.832 9.948 4.674 1.00 1.01 H new ATOM 0 HG22 VAL A 417 -1.143 9.330 3.035 1.00 1.01 H new ATOM 0 HG23 VAL A 417 -0.235 10.844 3.257 1.00 1.01 H new ATOM 880 N GLY A 418 -2.262 13.697 1.485 1.00 0.71 N ATOM 881 CA GLY A 418 -1.474 14.862 1.120 1.00 0.82 C ATOM 882 C GLY A 418 -1.080 14.951 -0.350 1.00 0.72 C ATOM 883 O GLY A 418 -1.280 15.994 -0.974 1.00 0.76 O ATOM 0 H GLY A 418 -3.267 13.863 1.538 1.00 0.71 H new ATOM 0 HA2 GLY A 418 -2.038 15.757 1.382 1.00 0.82 H new ATOM 0 HA3 GLY A 418 -0.566 14.869 1.723 1.00 0.82 H new ATOM 887 N LEU A 419 -0.484 13.894 -0.901 1.00 0.66 N ATOM 888 CA LEU A 419 -0.034 13.930 -2.295 1.00 0.60 C ATOM 889 C LEU A 419 -1.190 14.129 -3.281 1.00 0.59 C ATOM 890 O LEU A 419 -2.357 13.942 -2.938 1.00 0.76 O ATOM 891 CB LEU A 419 0.811 12.690 -2.651 1.00 0.58 C ATOM 892 CG LEU A 419 0.121 11.331 -2.680 1.00 0.78 C ATOM 893 CD1 LEU A 419 -1.037 11.297 -3.657 1.00 1.60 C ATOM 894 CD2 LEU A 419 1.146 10.265 -3.040 1.00 1.40 C ATOM 0 H LEU A 419 -0.303 13.016 -0.415 1.00 0.66 H new ATOM 0 HA LEU A 419 0.609 14.805 -2.391 1.00 0.60 H new ATOM 0 HB2 LEU A 419 1.253 12.860 -3.633 1.00 0.58 H new ATOM 0 HB3 LEU A 419 1.632 12.631 -1.937 1.00 0.58 H new ATOM 0 HG LEU A 419 -0.294 11.137 -1.691 1.00 0.78 H new ATOM 0 HD11 LEU A 419 -1.497 10.309 -3.642 1.00 1.60 H new ATOM 0 HD12 LEU A 419 -1.776 12.045 -3.371 1.00 1.60 H new ATOM 0 HD13 LEU A 419 -0.672 11.512 -4.661 1.00 1.60 H new ATOM 0 HD21 LEU A 419 0.662 9.288 -3.063 1.00 1.40 H new ATOM 0 HD22 LEU A 419 1.570 10.484 -4.020 1.00 1.40 H new ATOM 0 HD23 LEU A 419 1.941 10.258 -2.294 1.00 1.40 H new ATOM 906 N ASN A 420 -0.839 14.531 -4.505 1.00 0.61 N ATOM 907 CA ASN A 420 -1.819 14.784 -5.565 1.00 0.63 C ATOM 908 C ASN A 420 -2.644 13.537 -5.888 1.00 0.56 C ATOM 909 O ASN A 420 -2.137 12.421 -5.870 1.00 0.56 O ATOM 910 CB ASN A 420 -1.106 15.284 -6.822 1.00 0.75 C ATOM 911 CG ASN A 420 -2.074 15.807 -7.867 1.00 1.57 C ATOM 912 OD1 ASN A 420 -2.910 16.663 -7.581 1.00 2.53 O ATOM 913 ND2 ASN A 420 -1.954 15.306 -9.089 1.00 1.98 N ATOM 0 H ASN A 420 0.128 14.690 -4.789 1.00 0.61 H new ATOM 0 HA ASN A 420 -2.508 15.549 -5.206 1.00 0.63 H new ATOM 0 HB2 ASN A 420 -0.407 16.075 -6.550 1.00 0.75 H new ATOM 0 HB3 ASN A 420 -0.518 14.472 -7.250 1.00 0.75 H new ATOM 0 HD21 ASN A 420 -2.569 15.630 -9.836 1.00 1.98 H new ATOM 0 HD22 ASN A 420 -1.246 14.597 -9.282 1.00 1.98 H new ATOM 920 N ARG A 421 -3.922 13.741 -6.190 1.00 0.62 N ATOM 921 CA ARG A 421 -4.830 12.641 -6.514 1.00 0.67 C ATOM 922 C ARG A 421 -4.275 11.761 -7.629 1.00 0.66 C ATOM 923 O ARG A 421 -4.688 10.613 -7.792 1.00 0.69 O ATOM 924 CB ARG A 421 -6.207 13.178 -6.911 1.00 0.87 C ATOM 925 CG ARG A 421 -6.949 13.851 -5.767 1.00 1.09 C ATOM 926 CD ARG A 421 -8.358 14.248 -6.177 1.00 1.51 C ATOM 927 NE ARG A 421 -9.115 14.807 -5.061 1.00 2.25 N ATOM 928 CZ ARG A 421 -10.388 15.178 -5.147 1.00 3.00 C ATOM 929 NH1 ARG A 421 -11.045 15.048 -6.293 1.00 3.28 N ATOM 930 NH2 ARG A 421 -11.007 15.676 -4.086 1.00 3.98 N ATOM 0 H ARG A 421 -4.357 14.663 -6.218 1.00 0.62 H new ATOM 0 HA ARG A 421 -4.929 12.028 -5.618 1.00 0.67 H new ATOM 0 HB2 ARG A 421 -6.089 13.892 -7.726 1.00 0.87 H new ATOM 0 HB3 ARG A 421 -6.813 12.356 -7.292 1.00 0.87 H new ATOM 0 HG2 ARG A 421 -6.994 13.175 -4.913 1.00 1.09 H new ATOM 0 HG3 ARG A 421 -6.399 14.735 -5.445 1.00 1.09 H new ATOM 0 HD2 ARG A 421 -8.308 14.979 -6.984 1.00 1.51 H new ATOM 0 HD3 ARG A 421 -8.881 13.376 -6.569 1.00 1.51 H new ATOM 0 HE ARG A 421 -8.640 14.919 -4.165 1.00 2.25 H new ATOM 0 HH11 ARG A 421 -10.573 14.662 -7.111 1.00 3.28 H new ATOM 0 HH12 ARG A 421 -12.022 15.334 -6.356 1.00 3.28 H new ATOM 0 HH21 ARG A 421 -10.506 15.775 -3.203 1.00 3.98 H new ATOM 0 HH22 ARG A 421 -11.984 15.961 -4.153 1.00 3.98 H new ATOM 944 N ARG A 422 -3.344 12.312 -8.389 1.00 0.71 N ATOM 945 CA ARG A 422 -2.722 11.601 -9.489 1.00 0.83 C ATOM 946 C ARG A 422 -2.104 10.276 -9.043 1.00 0.72 C ATOM 947 O ARG A 422 -2.191 9.273 -9.751 1.00 0.77 O ATOM 948 CB ARG A 422 -1.661 12.503 -10.113 1.00 1.01 C ATOM 949 CG ARG A 422 -0.632 11.770 -10.940 1.00 1.19 C ATOM 950 CD ARG A 422 -1.157 11.392 -12.319 1.00 1.49 C ATOM 951 NE ARG A 422 -2.304 10.488 -12.258 1.00 2.09 N ATOM 952 CZ ARG A 422 -2.926 10.010 -13.332 1.00 2.79 C ATOM 953 NH1 ARG A 422 -2.516 10.350 -14.548 1.00 3.07 N ATOM 954 NH2 ARG A 422 -3.960 9.191 -13.192 1.00 3.71 N ATOM 0 H ARG A 422 -3.000 13.263 -8.260 1.00 0.71 H new ATOM 0 HA ARG A 422 -3.489 11.355 -10.223 1.00 0.83 H new ATOM 0 HB2 ARG A 422 -2.155 13.244 -10.742 1.00 1.01 H new ATOM 0 HB3 ARG A 422 -1.151 13.048 -9.319 1.00 1.01 H new ATOM 0 HG2 ARG A 422 0.254 12.395 -11.050 1.00 1.19 H new ATOM 0 HG3 ARG A 422 -0.322 10.868 -10.413 1.00 1.19 H new ATOM 0 HD2 ARG A 422 -1.441 12.297 -12.856 1.00 1.49 H new ATOM 0 HD3 ARG A 422 -0.358 10.920 -12.891 1.00 1.49 H new ATOM 0 HE ARG A 422 -2.647 10.208 -11.339 1.00 2.09 H new ATOM 0 HH11 ARG A 422 -1.722 10.980 -14.661 1.00 3.07 H new ATOM 0 HH12 ARG A 422 -2.995 9.981 -15.369 1.00 3.07 H new ATOM 0 HH21 ARG A 422 -4.279 8.927 -12.260 1.00 3.71 H new ATOM 0 HH22 ARG A 422 -4.436 8.825 -14.017 1.00 3.71 H new ATOM 968 N LEU A 423 -1.469 10.275 -7.878 1.00 0.65 N ATOM 969 CA LEU A 423 -0.829 9.069 -7.365 1.00 0.62 C ATOM 970 C LEU A 423 -1.853 8.023 -6.929 1.00 0.52 C ATOM 971 O LEU A 423 -1.614 6.823 -7.066 1.00 0.53 O ATOM 972 CB LEU A 423 0.095 9.391 -6.187 1.00 0.69 C ATOM 973 CG LEU A 423 1.230 10.384 -6.466 1.00 0.89 C ATOM 974 CD1 LEU A 423 1.960 10.035 -7.752 1.00 1.31 C ATOM 975 CD2 LEU A 423 0.708 11.809 -6.512 1.00 1.49 C ATOM 0 H LEU A 423 -1.383 11.091 -7.272 1.00 0.65 H new ATOM 0 HA LEU A 423 -0.239 8.658 -8.185 1.00 0.62 H new ATOM 0 HB2 LEU A 423 -0.513 9.786 -5.373 1.00 0.69 H new ATOM 0 HB3 LEU A 423 0.535 8.459 -5.833 1.00 0.69 H new ATOM 0 HG LEU A 423 1.943 10.311 -5.645 1.00 0.89 H new ATOM 0 HD11 LEU A 423 2.759 10.756 -7.924 1.00 1.31 H new ATOM 0 HD12 LEU A 423 2.385 9.035 -7.669 1.00 1.31 H new ATOM 0 HD13 LEU A 423 1.260 10.063 -8.587 1.00 1.31 H new ATOM 0 HD21 LEU A 423 1.533 12.493 -6.711 1.00 1.49 H new ATOM 0 HD22 LEU A 423 -0.036 11.898 -7.303 1.00 1.49 H new ATOM 0 HD23 LEU A 423 0.252 12.060 -5.555 1.00 1.49 H new ATOM 987 N ASP A 424 -2.979 8.480 -6.385 1.00 0.49 N ATOM 988 CA ASP A 424 -4.022 7.573 -5.910 1.00 0.50 C ATOM 989 C ASP A 424 -4.357 6.514 -6.955 1.00 0.45 C ATOM 990 O ASP A 424 -4.558 6.824 -8.129 1.00 0.49 O ATOM 991 CB ASP A 424 -5.288 8.347 -5.537 1.00 0.66 C ATOM 992 CG ASP A 424 -5.029 9.410 -4.490 1.00 0.81 C ATOM 993 OD1 ASP A 424 -4.313 9.119 -3.513 1.00 0.97 O ATOM 994 OD2 ASP A 424 -5.560 10.529 -4.637 1.00 1.20 O ATOM 0 H ASP A 424 -3.192 9.470 -6.262 1.00 0.49 H new ATOM 0 HA ASP A 424 -3.636 7.072 -5.022 1.00 0.50 H new ATOM 0 HB2 ASP A 424 -5.701 8.815 -6.431 1.00 0.66 H new ATOM 0 HB3 ASP A 424 -6.040 7.651 -5.165 1.00 0.66 H new ATOM 999 N GLY A 425 -4.415 5.260 -6.512 1.00 0.44 N ATOM 1000 CA GLY A 425 -4.727 4.166 -7.413 1.00 0.50 C ATOM 1001 C GLY A 425 -4.630 2.814 -6.733 1.00 0.45 C ATOM 1002 O GLY A 425 -4.315 2.730 -5.544 1.00 0.70 O ATOM 0 H GLY A 425 -4.251 4.983 -5.544 1.00 0.44 H new ATOM 0 HA2 GLY A 425 -5.734 4.300 -7.808 1.00 0.50 H new ATOM 0 HA3 GLY A 425 -4.045 4.192 -8.263 1.00 0.50 H new ATOM 1006 N TRP A 426 -4.901 1.755 -7.489 1.00 0.50 N ATOM 1007 CA TRP A 426 -4.841 0.398 -6.960 1.00 0.44 C ATOM 1008 C TRP A 426 -3.390 -0.064 -6.839 1.00 0.45 C ATOM 1009 O TRP A 426 -2.570 0.209 -7.716 1.00 0.57 O ATOM 1010 CB TRP A 426 -5.635 -0.557 -7.856 1.00 0.47 C ATOM 1011 CG TRP A 426 -7.055 -0.125 -8.064 1.00 0.49 C ATOM 1012 CD1 TRP A 426 -7.492 0.916 -8.835 1.00 0.57 C ATOM 1013 CD2 TRP A 426 -8.225 -0.707 -7.477 1.00 0.48 C ATOM 1014 NE1 TRP A 426 -8.861 1.008 -8.771 1.00 0.61 N ATOM 1015 CE2 TRP A 426 -9.334 0.025 -7.944 1.00 0.55 C ATOM 1016 CE3 TRP A 426 -8.442 -1.777 -6.606 1.00 0.50 C ATOM 1017 CZ2 TRP A 426 -10.639 -0.281 -7.567 1.00 0.59 C ATOM 1018 CZ3 TRP A 426 -9.738 -2.079 -6.233 1.00 0.56 C ATOM 1019 CH2 TRP A 426 -10.822 -1.334 -6.712 1.00 0.59 C ATOM 0 H TRP A 426 -5.165 1.811 -8.473 1.00 0.50 H new ATOM 0 HA TRP A 426 -5.288 0.392 -5.966 1.00 0.44 H new ATOM 0 HB2 TRP A 426 -5.140 -0.634 -8.824 1.00 0.47 H new ATOM 0 HB3 TRP A 426 -5.626 -1.553 -7.413 1.00 0.47 H new ATOM 0 HD1 TRP A 426 -6.854 1.570 -9.410 1.00 0.57 H new ATOM 0 HE1 TRP A 426 -9.432 1.697 -9.260 1.00 0.61 H new ATOM 0 HE3 TRP A 426 -7.612 -2.358 -6.231 1.00 0.50 H new ATOM 0 HZ2 TRP A 426 -11.477 0.292 -7.936 1.00 0.59 H new ATOM 0 HZ3 TRP A 426 -9.918 -2.904 -5.560 1.00 0.56 H new ATOM 0 HH2 TRP A 426 -11.823 -1.595 -6.401 1.00 0.59 H new ATOM 1030 N VAL A 427 -3.074 -0.755 -5.745 1.00 0.39 N ATOM 1031 CA VAL A 427 -1.714 -1.239 -5.515 1.00 0.46 C ATOM 1032 C VAL A 427 -1.714 -2.639 -4.908 1.00 0.51 C ATOM 1033 O VAL A 427 -2.600 -2.992 -4.131 1.00 0.70 O ATOM 1034 CB VAL A 427 -0.930 -0.301 -4.573 1.00 0.64 C ATOM 1035 CG1 VAL A 427 -0.978 1.132 -5.071 1.00 0.89 C ATOM 1036 CG2 VAL A 427 -1.469 -0.390 -3.156 1.00 0.85 C ATOM 0 H VAL A 427 -3.738 -0.991 -5.007 1.00 0.39 H new ATOM 0 HA VAL A 427 -1.229 -1.264 -6.491 1.00 0.46 H new ATOM 0 HB VAL A 427 0.111 -0.624 -4.567 1.00 0.64 H new ATOM 0 HG11 VAL A 427 -0.418 1.773 -4.390 1.00 0.89 H new ATOM 0 HG12 VAL A 427 -0.536 1.186 -6.066 1.00 0.89 H new ATOM 0 HG13 VAL A 427 -2.014 1.467 -5.115 1.00 0.89 H new ATOM 0 HG21 VAL A 427 -0.902 0.279 -2.508 1.00 0.85 H new ATOM 0 HG22 VAL A 427 -2.520 -0.100 -3.147 1.00 0.85 H new ATOM 0 HG23 VAL A 427 -1.373 -1.413 -2.794 1.00 0.85 H new ATOM 1046 N GLY A 428 -0.707 -3.429 -5.264 1.00 0.52 N ATOM 1047 CA GLY A 428 -0.599 -4.779 -4.742 1.00 0.65 C ATOM 1048 C GLY A 428 -0.508 -4.808 -3.228 1.00 0.79 C ATOM 1049 O GLY A 428 0.015 -3.879 -2.615 1.00 1.72 O ATOM 0 H GLY A 428 0.038 -3.158 -5.906 1.00 0.52 H new ATOM 0 HA2 GLY A 428 -1.464 -5.360 -5.062 1.00 0.65 H new ATOM 0 HA3 GLY A 428 0.283 -5.260 -5.166 1.00 0.65 H new ATOM 1053 N ARG A 429 -1.025 -5.876 -2.629 1.00 0.54 N ATOM 1054 CA ARG A 429 -1.008 -6.034 -1.177 1.00 0.54 C ATOM 1055 C ARG A 429 0.398 -5.845 -0.603 1.00 0.49 C ATOM 1056 O ARG A 429 0.565 -5.246 0.459 1.00 0.53 O ATOM 1057 CB ARG A 429 -1.560 -7.415 -0.798 1.00 0.68 C ATOM 1058 CG ARG A 429 -1.243 -7.844 0.627 1.00 0.83 C ATOM 1059 CD ARG A 429 -1.936 -6.961 1.651 1.00 0.85 C ATOM 1060 NE ARG A 429 -1.638 -7.379 3.019 1.00 1.20 N ATOM 1061 CZ ARG A 429 -0.444 -7.249 3.595 1.00 1.26 C ATOM 1062 NH1 ARG A 429 0.555 -6.670 2.945 1.00 1.73 N ATOM 1063 NH2 ARG A 429 -0.255 -7.687 4.832 1.00 1.65 N ATOM 0 H ARG A 429 -1.463 -6.649 -3.129 1.00 0.54 H new ATOM 0 HA ARG A 429 -1.642 -5.260 -0.746 1.00 0.54 H new ATOM 0 HB2 ARG A 429 -2.642 -7.411 -0.932 1.00 0.68 H new ATOM 0 HB3 ARG A 429 -1.156 -8.157 -1.487 1.00 0.68 H new ATOM 0 HG2 ARG A 429 -1.552 -8.879 0.772 1.00 0.83 H new ATOM 0 HG3 ARG A 429 -0.165 -7.808 0.786 1.00 0.83 H new ATOM 0 HD2 ARG A 429 -1.622 -5.927 1.511 1.00 0.85 H new ATOM 0 HD3 ARG A 429 -3.013 -6.992 1.488 1.00 0.85 H new ATOM 0 HE ARG A 429 -2.391 -7.796 3.567 1.00 1.20 H new ATOM 0 HH11 ARG A 429 0.412 -6.320 1.997 1.00 1.73 H new ATOM 0 HH12 ARG A 429 1.467 -6.574 3.392 1.00 1.73 H new ATOM 0 HH21 ARG A 429 -1.023 -8.123 5.342 1.00 1.65 H new ATOM 0 HH22 ARG A 429 0.659 -7.588 5.274 1.00 1.65 H new ATOM 1077 N HIS A 430 1.402 -6.362 -1.306 1.00 0.49 N ATOM 1078 CA HIS A 430 2.790 -6.256 -0.854 1.00 0.53 C ATOM 1079 C HIS A 430 3.209 -4.807 -0.617 1.00 0.47 C ATOM 1080 O HIS A 430 4.110 -4.540 0.179 1.00 0.49 O ATOM 1081 CB HIS A 430 3.741 -6.911 -1.856 1.00 0.65 C ATOM 1082 CG HIS A 430 3.581 -6.428 -3.265 1.00 0.77 C ATOM 1083 ND1 HIS A 430 2.431 -6.619 -4.002 1.00 1.20 N ATOM 1084 CD2 HIS A 430 4.442 -5.770 -4.076 1.00 1.47 C ATOM 1085 CE1 HIS A 430 2.593 -6.102 -5.208 1.00 1.31 C ATOM 1086 NE2 HIS A 430 3.804 -5.580 -5.276 1.00 1.46 N ATOM 0 H HIS A 430 1.283 -6.858 -2.189 1.00 0.49 H new ATOM 0 HA HIS A 430 2.851 -6.783 0.098 1.00 0.53 H new ATOM 0 HB2 HIS A 430 4.767 -6.730 -1.537 1.00 0.65 H new ATOM 0 HB3 HIS A 430 3.586 -7.990 -1.834 1.00 0.65 H new ATOM 0 HD2 HIS A 430 5.444 -5.454 -3.826 1.00 1.47 H new ATOM 0 HE1 HIS A 430 1.860 -6.106 -6.002 1.00 1.31 H new ATOM 0 HE2 HIS A 430 4.201 -5.111 -6.090 1.00 1.46 H new ATOM 1095 N ARG A 431 2.572 -3.875 -1.314 1.00 0.43 N ATOM 1096 CA ARG A 431 2.909 -2.463 -1.171 1.00 0.41 C ATOM 1097 C ARG A 431 2.309 -1.861 0.099 1.00 0.37 C ATOM 1098 O ARG A 431 2.949 -1.045 0.764 1.00 0.57 O ATOM 1099 CB ARG A 431 2.451 -1.667 -2.395 1.00 0.44 C ATOM 1100 CG ARG A 431 3.281 -1.930 -3.642 1.00 0.53 C ATOM 1101 CD ARG A 431 2.927 -0.955 -4.756 1.00 0.64 C ATOM 1102 NE ARG A 431 3.807 -1.094 -5.916 1.00 1.39 N ATOM 1103 CZ ARG A 431 3.864 -2.183 -6.678 1.00 2.05 C ATOM 1104 NH1 ARG A 431 3.080 -3.221 -6.422 1.00 2.55 N ATOM 1105 NH2 ARG A 431 4.702 -2.231 -7.704 1.00 2.84 N ATOM 0 H ARG A 431 1.824 -4.068 -1.980 1.00 0.43 H new ATOM 0 HA ARG A 431 3.994 -2.400 -1.092 1.00 0.41 H new ATOM 0 HB2 ARG A 431 1.409 -1.909 -2.605 1.00 0.44 H new ATOM 0 HB3 ARG A 431 2.490 -0.603 -2.161 1.00 0.44 H new ATOM 0 HG2 ARG A 431 4.341 -1.842 -3.402 1.00 0.53 H new ATOM 0 HG3 ARG A 431 3.115 -2.952 -3.983 1.00 0.53 H new ATOM 0 HD2 ARG A 431 1.894 -1.119 -5.064 1.00 0.64 H new ATOM 0 HD3 ARG A 431 2.988 0.065 -4.376 1.00 0.64 H new ATOM 0 HE ARG A 431 4.413 -0.309 -6.155 1.00 1.39 H new ATOM 0 HH11 ARG A 431 2.429 -3.187 -5.638 1.00 2.55 H new ATOM 0 HH12 ARG A 431 3.128 -4.053 -7.010 1.00 2.55 H new ATOM 0 HH21 ARG A 431 5.303 -1.433 -7.909 1.00 2.84 H new ATOM 0 HH22 ARG A 431 4.746 -3.066 -8.288 1.00 2.84 H new ATOM 1119 N ILE A 432 1.085 -2.258 0.439 1.00 0.39 N ATOM 1120 CA ILE A 432 0.430 -1.736 1.636 1.00 0.36 C ATOM 1121 C ILE A 432 0.765 -2.582 2.860 1.00 0.38 C ATOM 1122 O ILE A 432 0.734 -3.811 2.806 1.00 0.44 O ATOM 1123 CB ILE A 432 -1.103 -1.666 1.465 1.00 0.38 C ATOM 1124 CG1 ILE A 432 -1.449 -0.876 0.203 1.00 0.40 C ATOM 1125 CG2 ILE A 432 -1.742 -1.027 2.690 1.00 0.42 C ATOM 1126 CD1 ILE A 432 -2.921 -0.897 -0.141 1.00 0.46 C ATOM 0 H ILE A 432 0.532 -2.932 -0.090 1.00 0.39 H new ATOM 0 HA ILE A 432 0.809 -0.725 1.785 1.00 0.36 H new ATOM 0 HB ILE A 432 -1.496 -2.677 1.363 1.00 0.38 H new ATOM 0 HG12 ILE A 432 -1.130 0.158 0.333 1.00 0.40 H new ATOM 0 HG13 ILE A 432 -0.883 -1.281 -0.636 1.00 0.40 H new ATOM 0 HG21 ILE A 432 -2.823 -0.984 2.556 1.00 0.42 H new ATOM 0 HG22 ILE A 432 -1.509 -1.621 3.574 1.00 0.42 H new ATOM 0 HG23 ILE A 432 -1.352 -0.017 2.819 1.00 0.42 H new ATOM 0 HD11 ILE A 432 -3.091 -0.316 -1.047 1.00 0.46 H new ATOM 0 HD12 ILE A 432 -3.242 -1.926 -0.304 1.00 0.46 H new ATOM 0 HD13 ILE A 432 -3.493 -0.464 0.680 1.00 0.46 H new ATOM 1138 N SER A 433 1.091 -1.910 3.961 1.00 0.34 N ATOM 1139 CA SER A 433 1.443 -2.590 5.202 1.00 0.38 C ATOM 1140 C SER A 433 1.307 -1.650 6.396 1.00 0.36 C ATOM 1141 O SER A 433 1.662 -0.474 6.316 1.00 0.34 O ATOM 1142 CB SER A 433 2.876 -3.123 5.127 1.00 0.41 C ATOM 1143 OG SER A 433 3.012 -4.087 4.098 1.00 0.53 O ATOM 0 H SER A 433 1.118 -0.892 4.018 1.00 0.34 H new ATOM 0 HA SER A 433 0.755 -3.425 5.335 1.00 0.38 H new ATOM 0 HB2 SER A 433 3.565 -2.297 4.948 1.00 0.41 H new ATOM 0 HB3 SER A 433 3.152 -3.567 6.083 1.00 0.41 H new ATOM 0 HG SER A 433 2.124 -4.361 3.787 1.00 0.53 H new ATOM 1149 N ASP A 434 0.787 -2.178 7.499 1.00 0.43 N ATOM 1150 CA ASP A 434 0.598 -1.392 8.715 1.00 0.48 C ATOM 1151 C ASP A 434 1.924 -1.132 9.433 1.00 0.48 C ATOM 1152 O ASP A 434 1.936 -0.760 10.607 1.00 0.74 O ATOM 1153 CB ASP A 434 -0.386 -2.094 9.656 1.00 0.60 C ATOM 1154 CG ASP A 434 0.010 -3.526 9.962 1.00 0.83 C ATOM 1155 OD1 ASP A 434 1.021 -3.994 9.395 1.00 1.12 O ATOM 1156 OD2 ASP A 434 -0.683 -4.178 10.771 1.00 1.35 O ATOM 0 H ASP A 434 0.488 -3.150 7.577 1.00 0.43 H new ATOM 0 HA ASP A 434 0.185 -0.427 8.422 1.00 0.48 H new ATOM 0 HB2 ASP A 434 -0.452 -1.533 10.588 1.00 0.60 H new ATOM 0 HB3 ASP A 434 -1.379 -2.085 9.207 1.00 0.60 H new ATOM 1161 N ASN A 435 3.036 -1.324 8.727 1.00 0.43 N ATOM 1162 CA ASN A 435 4.359 -1.103 9.306 1.00 0.47 C ATOM 1163 C ASN A 435 5.283 -0.400 8.315 1.00 0.39 C ATOM 1164 O ASN A 435 5.390 -0.799 7.156 1.00 0.38 O ATOM 1165 CB ASN A 435 4.983 -2.429 9.747 1.00 0.59 C ATOM 1166 CG ASN A 435 4.256 -3.053 10.922 1.00 1.26 C ATOM 1167 OD1 ASN A 435 3.073 -3.379 10.835 1.00 2.16 O ATOM 1168 ND2 ASN A 435 4.963 -3.220 12.035 1.00 1.81 N ATOM 0 H ASN A 435 3.047 -1.632 7.755 1.00 0.43 H new ATOM 0 HA ASN A 435 4.235 -0.461 10.178 1.00 0.47 H new ATOM 0 HB2 ASN A 435 4.977 -3.126 8.909 1.00 0.59 H new ATOM 0 HB3 ASN A 435 6.026 -2.264 10.016 1.00 0.59 H new ATOM 0 HD21 ASN A 435 4.526 -3.632 12.859 1.00 1.81 H new ATOM 0 HD22 ASN A 435 5.942 -2.936 12.065 1.00 1.81 H new ATOM 1175 N ALA A 436 5.947 0.654 8.786 1.00 0.49 N ATOM 1176 CA ALA A 436 6.865 1.428 7.955 1.00 0.55 C ATOM 1177 C ALA A 436 8.098 0.615 7.572 1.00 0.55 C ATOM 1178 O ALA A 436 8.250 0.211 6.419 1.00 0.54 O ATOM 1179 CB ALA A 436 7.279 2.704 8.675 1.00 0.75 C ATOM 0 H ALA A 436 5.865 0.992 9.745 1.00 0.49 H new ATOM 0 HA ALA A 436 6.340 1.689 7.036 1.00 0.55 H new ATOM 0 HB1 ALA A 436 7.963 3.272 8.045 1.00 0.75 H new ATOM 0 HB2 ALA A 436 6.395 3.306 8.885 1.00 0.75 H new ATOM 0 HB3 ALA A 436 7.775 2.449 9.611 1.00 0.75 H new ATOM 1185 N ASP A 437 8.980 0.399 8.548 1.00 0.65 N ATOM 1186 CA ASP A 437 10.219 -0.350 8.334 1.00 0.75 C ATOM 1187 C ASP A 437 9.996 -1.567 7.440 1.00 0.71 C ATOM 1188 O ASP A 437 10.833 -1.887 6.595 1.00 0.78 O ATOM 1189 CB ASP A 437 10.802 -0.795 9.676 1.00 0.92 C ATOM 1190 CG ASP A 437 11.129 0.375 10.586 1.00 1.02 C ATOM 1191 OD1 ASP A 437 10.917 1.531 10.163 1.00 1.34 O ATOM 1192 OD2 ASP A 437 11.594 0.135 11.719 1.00 1.34 O ATOM 0 H ASP A 437 8.858 0.736 9.503 1.00 0.65 H new ATOM 0 HA ASP A 437 10.922 0.313 7.830 1.00 0.75 H new ATOM 0 HB2 ASP A 437 10.091 -1.453 10.177 1.00 0.92 H new ATOM 0 HB3 ASP A 437 11.706 -1.378 9.500 1.00 0.92 H new ATOM 1197 N ASP A 438 8.868 -2.241 7.634 1.00 0.68 N ATOM 1198 CA ASP A 438 8.535 -3.423 6.847 1.00 0.73 C ATOM 1199 C ASP A 438 8.022 -3.039 5.457 1.00 0.73 C ATOM 1200 O ASP A 438 7.001 -3.556 5.003 1.00 1.35 O ATOM 1201 CB ASP A 438 7.486 -4.265 7.577 1.00 0.88 C ATOM 1202 CG ASP A 438 7.976 -4.757 8.926 1.00 1.08 C ATOM 1203 OD1 ASP A 438 8.310 -3.911 9.782 1.00 1.56 O ATOM 1204 OD2 ASP A 438 8.024 -5.989 9.125 1.00 1.36 O ATOM 0 H ASP A 438 8.167 -1.989 8.331 1.00 0.68 H new ATOM 0 HA ASP A 438 9.445 -4.010 6.722 1.00 0.73 H new ATOM 0 HB2 ASP A 438 6.581 -3.673 7.716 1.00 0.88 H new ATOM 0 HB3 ASP A 438 7.215 -5.120 6.958 1.00 0.88 H new ATOM 1209 N LEU A 439 8.733 -2.134 4.787 1.00 0.54 N ATOM 1210 CA LEU A 439 8.341 -1.690 3.451 1.00 0.53 C ATOM 1211 C LEU A 439 9.557 -1.291 2.617 1.00 0.61 C ATOM 1212 O LEU A 439 10.078 -2.098 1.847 1.00 0.86 O ATOM 1213 CB LEU A 439 7.366 -0.512 3.543 1.00 0.52 C ATOM 1214 CG LEU A 439 5.983 -0.848 4.102 1.00 0.63 C ATOM 1215 CD1 LEU A 439 5.174 0.420 4.311 1.00 1.12 C ATOM 1216 CD2 LEU A 439 5.248 -1.795 3.165 1.00 1.10 C ATOM 0 H LEU A 439 9.581 -1.695 5.146 1.00 0.54 H new ATOM 0 HA LEU A 439 7.848 -2.527 2.957 1.00 0.53 H new ATOM 0 HB2 LEU A 439 7.814 0.261 4.168 1.00 0.52 H new ATOM 0 HB3 LEU A 439 7.243 -0.085 2.548 1.00 0.52 H new ATOM 0 HG LEU A 439 6.110 -1.342 5.065 1.00 0.63 H new ATOM 0 HD11 LEU A 439 4.192 0.164 4.709 1.00 1.12 H new ATOM 0 HD12 LEU A 439 5.693 1.071 5.015 1.00 1.12 H new ATOM 0 HD13 LEU A 439 5.056 0.937 3.359 1.00 1.12 H new ATOM 0 HD21 LEU A 439 4.265 -2.025 3.577 1.00 1.10 H new ATOM 0 HD22 LEU A 439 5.131 -1.323 2.189 1.00 1.10 H new ATOM 0 HD23 LEU A 439 5.820 -2.716 3.057 1.00 1.10 H new ATOM 1228 N GLY A 440 10.007 -0.045 2.769 1.00 0.59 N ATOM 1229 CA GLY A 440 11.153 0.423 2.009 1.00 0.77 C ATOM 1230 C GLY A 440 11.769 1.686 2.579 1.00 0.96 C ATOM 1231 O GLY A 440 12.162 2.583 1.832 1.00 1.36 O ATOM 0 H GLY A 440 9.600 0.644 3.402 1.00 0.59 H new ATOM 0 HA2 GLY A 440 11.908 -0.362 1.982 1.00 0.77 H new ATOM 0 HA3 GLY A 440 10.848 0.608 0.979 1.00 0.77 H new ATOM 1235 N GLY A 441 11.867 1.755 3.904 1.00 0.93 N ATOM 1236 CA GLY A 441 12.455 2.916 4.546 1.00 1.24 C ATOM 1237 C GLY A 441 11.590 4.157 4.446 1.00 1.14 C ATOM 1238 O GLY A 441 10.886 4.356 3.456 1.00 1.83 O ATOM 0 H GLY A 441 11.549 1.027 4.544 1.00 0.93 H new ATOM 0 HA2 GLY A 441 12.634 2.690 5.597 1.00 1.24 H new ATOM 0 HA3 GLY A 441 13.426 3.120 4.094 1.00 1.24 H new ATOM 1242 N ILE A 442 11.648 4.993 5.478 1.00 1.10 N ATOM 1243 CA ILE A 442 10.873 6.228 5.518 1.00 1.03 C ATOM 1244 C ILE A 442 11.187 7.110 4.312 1.00 1.05 C ATOM 1245 O ILE A 442 12.318 7.132 3.828 1.00 1.39 O ATOM 1246 CB ILE A 442 11.150 7.021 6.812 1.00 1.26 C ATOM 1247 CG1 ILE A 442 10.878 6.150 8.042 1.00 1.41 C ATOM 1248 CG2 ILE A 442 10.306 8.287 6.855 1.00 1.38 C ATOM 1249 CD1 ILE A 442 9.446 5.663 8.144 1.00 1.48 C ATOM 0 H ILE A 442 12.228 4.836 6.302 1.00 1.10 H new ATOM 0 HA ILE A 442 9.820 5.947 5.493 1.00 1.03 H new ATOM 0 HB ILE A 442 12.201 7.310 6.821 1.00 1.26 H new ATOM 0 HG12 ILE A 442 11.544 5.288 8.019 1.00 1.41 H new ATOM 0 HG13 ILE A 442 11.123 6.718 8.939 1.00 1.41 H new ATOM 0 HG21 ILE A 442 10.515 8.833 7.775 1.00 1.38 H new ATOM 0 HG22 ILE A 442 10.548 8.915 5.998 1.00 1.38 H new ATOM 0 HG23 ILE A 442 9.249 8.021 6.823 1.00 1.38 H new ATOM 0 HD11 ILE A 442 9.332 5.053 9.040 1.00 1.48 H new ATOM 0 HD12 ILE A 442 8.774 6.519 8.200 1.00 1.48 H new ATOM 0 HD13 ILE A 442 9.201 5.066 7.265 1.00 1.48 H new