USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=13 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 40:sc= -2.39! USER MOD Set 1.2: A 393 HIS : no HE2:sc= -2.1 K(o=-4.5,f=-6!) USER MOD Set 2.1: A 378 ASN : amide:sc= -3.45! K(o=-2.7!,f=-0.9) USER MOD Set 2.2: A 383 TYR OH : rot 180:sc= 0.769 USER MOD Single : A 376 SER OG : rot 61:sc= 0.332 USER MOD Single : A 381 LYS NZ :NH3+ 139:sc= -0.0855 (180deg=-0.372) USER MOD Single : A 396 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.16) USER MOD Single : A 399 GLN : amide:sc= -0.974 K(o=-0.97,f=-2.3!) USER MOD Single : A 400 SER OG : rot 180:sc= 0 USER MOD Single : A 402 THR OG1 : rot -150:sc= -0.0526 USER MOD Single : A 403 THR OG1 : rot -43:sc= -0.432! USER MOD Single : A 405 ASN : amide:sc= -3.06! K(o=-3.1!,f=-0.52) 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= 0.368 K(o=0.37,f=-3.4!) USER MOD Single : A 416 TYR OH : rot 180:sc= 0 USER MOD Single : A 420 ASN : amide:sc= -0.0384 X(o=-0.038,f=-0.038) USER MOD Single : A 430 HIS : no HD1:sc= -0.496 K(o=-0.5,f=-5.5!) USER MOD Single : A 433 SER OG : rot -8:sc= 0.796 USER MOD Single : A 435 ASN : amide:sc= -1.48 K(o=-1.5,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 157 N ILE A 373 -6.091 -8.224 5.224 1.00 1.42 N ATOM 158 CA ILE A 373 -6.374 -7.135 6.154 1.00 1.22 C ATOM 159 C ILE A 373 -7.802 -6.631 5.988 1.00 1.13 C ATOM 160 O ILE A 373 -8.271 -6.422 4.869 1.00 1.20 O ATOM 161 CB ILE A 373 -5.393 -5.959 5.957 1.00 1.16 C ATOM 162 CG1 ILE A 373 -3.979 -6.381 6.360 1.00 1.40 C ATOM 163 CG2 ILE A 373 -5.838 -4.739 6.757 1.00 1.26 C ATOM 164 CD1 ILE A 373 -2.943 -5.289 6.186 1.00 1.48 C ATOM 0 HA ILE A 373 -6.249 -7.534 7.161 1.00 1.22 H new ATOM 0 HB ILE A 373 -5.390 -5.685 4.902 1.00 1.16 H new ATOM 0 HG12 ILE A 373 -3.988 -6.698 7.403 1.00 1.40 H new ATOM 0 HG13 ILE A 373 -3.685 -7.246 5.766 1.00 1.40 H new ATOM 0 HG21 ILE A 373 -5.131 -3.924 6.602 1.00 1.26 H new ATOM 0 HG22 ILE A 373 -6.829 -4.428 6.425 1.00 1.26 H new ATOM 0 HG23 ILE A 373 -5.873 -4.992 7.817 1.00 1.26 H new ATOM 0 HD11 ILE A 373 -1.966 -5.662 6.492 1.00 1.48 H new ATOM 0 HD12 ILE A 373 -2.905 -4.987 5.139 1.00 1.48 H new ATOM 0 HD13 ILE A 373 -3.212 -4.431 6.801 1.00 1.48 H new ATOM 176 N ASP A 374 -8.488 -6.435 7.109 1.00 1.16 N ATOM 177 CA ASP A 374 -9.846 -5.960 7.100 1.00 1.17 C ATOM 178 C ASP A 374 -9.880 -4.437 7.103 1.00 1.03 C ATOM 179 O ASP A 374 -9.522 -3.798 8.091 1.00 1.25 O ATOM 180 CB ASP A 374 -10.558 -6.509 8.324 1.00 1.40 C ATOM 181 CG ASP A 374 -10.955 -7.963 8.164 1.00 1.77 C ATOM 182 OD1 ASP A 374 -11.718 -8.269 7.225 1.00 2.04 O ATOM 183 OD2 ASP A 374 -10.500 -8.795 8.977 1.00 2.17 O ATOM 0 H ASP A 374 -8.110 -6.604 8.041 1.00 1.16 H new ATOM 0 HA ASP A 374 -10.349 -6.302 6.196 1.00 1.17 H new ATOM 0 HB2 ASP A 374 -9.909 -6.407 9.194 1.00 1.40 H new ATOM 0 HB3 ASP A 374 -11.449 -5.912 8.520 1.00 1.40 H new ATOM 188 N ILE A 375 -10.305 -3.865 5.983 1.00 0.84 N ATOM 189 CA ILE A 375 -10.377 -2.419 5.844 1.00 0.76 C ATOM 190 C ILE A 375 -11.430 -1.810 6.761 1.00 0.76 C ATOM 191 O ILE A 375 -11.191 -0.776 7.381 1.00 0.79 O ATOM 192 CB ILE A 375 -10.686 -2.007 4.399 1.00 0.77 C ATOM 193 CG1 ILE A 375 -9.542 -2.424 3.473 1.00 0.82 C ATOM 194 CG2 ILE A 375 -10.929 -0.509 4.335 1.00 0.84 C ATOM 195 CD1 ILE A 375 -9.831 -2.193 2.006 1.00 0.92 C ATOM 0 H ILE A 375 -10.605 -4.383 5.157 1.00 0.84 H new ATOM 0 HA ILE A 375 -9.396 -2.040 6.129 1.00 0.76 H new ATOM 0 HB ILE A 375 -11.589 -2.516 4.062 1.00 0.77 H new ATOM 0 HG12 ILE A 375 -8.644 -1.871 3.749 1.00 0.82 H new ATOM 0 HG13 ILE A 375 -9.327 -3.481 3.630 1.00 0.82 H new ATOM 0 HG21 ILE A 375 -11.148 -0.220 3.307 1.00 0.84 H new ATOM 0 HG22 ILE A 375 -11.774 -0.250 4.973 1.00 0.84 H new ATOM 0 HG23 ILE A 375 -10.039 0.019 4.679 1.00 0.84 H new ATOM 0 HD11 ILE A 375 -8.975 -2.512 1.412 1.00 0.92 H new ATOM 0 HD12 ILE A 375 -10.710 -2.767 1.714 1.00 0.92 H new ATOM 0 HD13 ILE A 375 -10.017 -1.133 1.834 1.00 0.92 H new ATOM 207 N SER A 376 -12.595 -2.449 6.824 1.00 0.79 N ATOM 208 CA SER A 376 -13.694 -1.969 7.657 1.00 0.87 C ATOM 209 C SER A 376 -13.370 -2.143 9.134 1.00 0.96 C ATOM 210 O SER A 376 -14.018 -2.917 9.841 1.00 1.54 O ATOM 211 CB SER A 376 -14.985 -2.706 7.310 1.00 0.95 C ATOM 212 OG SER A 376 -14.839 -4.105 7.482 1.00 1.71 O ATOM 0 H SER A 376 -12.803 -3.303 6.306 1.00 0.79 H new ATOM 0 HA SER A 376 -13.832 -0.906 7.459 1.00 0.87 H new ATOM 0 HB2 SER A 376 -15.795 -2.342 7.941 1.00 0.95 H new ATOM 0 HB3 SER A 376 -15.263 -2.491 6.278 1.00 0.95 H new ATOM 0 HG SER A 376 -14.627 -4.299 8.419 1.00 1.71 H new ATOM 218 N GLU A 377 -12.354 -1.424 9.585 1.00 0.93 N ATOM 219 CA GLU A 377 -11.906 -1.486 10.964 1.00 1.03 C ATOM 220 C GLU A 377 -11.326 -0.142 11.375 1.00 0.87 C ATOM 221 O GLU A 377 -11.347 0.230 12.549 1.00 0.93 O ATOM 222 CB GLU A 377 -10.839 -2.572 11.119 1.00 1.18 C ATOM 223 CG GLU A 377 -11.274 -3.939 10.615 1.00 1.28 C ATOM 224 CD GLU A 377 -12.262 -4.624 11.541 1.00 1.54 C ATOM 225 OE1 GLU A 377 -12.605 -4.030 12.585 1.00 1.90 O ATOM 226 OE2 GLU A 377 -12.693 -5.753 11.224 1.00 1.92 O ATOM 0 H GLU A 377 -11.817 -0.781 9.003 1.00 0.93 H new ATOM 0 HA GLU A 377 -12.756 -1.726 11.603 1.00 1.03 H new ATOM 0 HB2 GLU A 377 -9.942 -2.266 10.581 1.00 1.18 H new ATOM 0 HB3 GLU A 377 -10.567 -2.653 12.171 1.00 1.18 H new ATOM 0 HG2 GLU A 377 -11.724 -3.830 9.628 1.00 1.28 H new ATOM 0 HG3 GLU A 377 -10.395 -4.573 10.496 1.00 1.28 H new ATOM 233 N ASN A 378 -10.802 0.577 10.386 1.00 0.71 N ATOM 234 CA ASN A 378 -10.197 1.885 10.617 1.00 0.61 C ATOM 235 C ASN A 378 -9.847 2.574 9.298 1.00 0.58 C ATOM 236 O ASN A 378 -8.683 2.872 9.037 1.00 0.59 O ATOM 237 CB ASN A 378 -8.944 1.747 11.491 1.00 0.62 C ATOM 238 CG ASN A 378 -7.972 0.694 10.984 1.00 1.15 C ATOM 239 OD1 ASN A 378 -7.064 0.282 11.702 1.00 1.16 O ATOM 240 ND2 ASN A 378 -8.141 0.268 9.737 1.00 2.14 N ATOM 0 H ASN A 378 -10.784 0.274 9.412 1.00 0.71 H new ATOM 0 HA ASN A 378 -10.927 2.504 11.139 1.00 0.61 H new ATOM 0 HB2 ASN A 378 -8.434 2.709 11.538 1.00 0.62 H new ATOM 0 HB3 ASN A 378 -9.244 1.495 12.508 1.00 0.62 H new ATOM 0 HD21 ASN A 378 -7.504 -0.425 9.344 1.00 2.14 H new ATOM 0 HD22 ASN A 378 -8.907 0.634 9.172 1.00 2.14 H new ATOM 247 N PRO A 379 -10.854 2.837 8.443 1.00 0.62 N ATOM 248 CA PRO A 379 -10.634 3.497 7.152 1.00 0.65 C ATOM 249 C PRO A 379 -9.831 4.784 7.307 1.00 0.61 C ATOM 250 O PRO A 379 -8.989 5.113 6.470 1.00 0.62 O ATOM 251 CB PRO A 379 -12.051 3.802 6.662 1.00 0.77 C ATOM 252 CG PRO A 379 -12.909 2.782 7.326 1.00 0.85 C ATOM 253 CD PRO A 379 -12.280 2.522 8.666 1.00 0.75 C ATOM 0 HA PRO A 379 -10.061 2.878 6.462 1.00 0.65 H new ATOM 0 HB2 PRO A 379 -12.355 4.813 6.934 1.00 0.77 H new ATOM 0 HB3 PRO A 379 -12.119 3.730 5.576 1.00 0.77 H new ATOM 0 HG2 PRO A 379 -13.931 3.145 7.438 1.00 0.85 H new ATOM 0 HG3 PRO A 379 -12.958 1.868 6.734 1.00 0.85 H new ATOM 0 HD2 PRO A 379 -12.714 3.152 9.442 1.00 0.75 H new ATOM 0 HD3 PRO A 379 -12.418 1.488 8.981 1.00 0.75 H new ATOM 261 N ASP A 380 -10.097 5.504 8.393 1.00 0.62 N ATOM 262 CA ASP A 380 -9.405 6.753 8.683 1.00 0.64 C ATOM 263 C ASP A 380 -7.912 6.512 8.890 1.00 0.55 C ATOM 264 O ASP A 380 -7.085 7.354 8.542 1.00 0.55 O ATOM 265 CB ASP A 380 -10.004 7.416 9.926 1.00 0.75 C ATOM 266 CG ASP A 380 -11.481 7.714 9.766 1.00 0.86 C ATOM 267 OD1 ASP A 380 -11.837 8.475 8.841 1.00 1.21 O ATOM 268 OD2 ASP A 380 -12.283 7.188 10.567 1.00 1.20 O ATOM 0 H ASP A 380 -10.793 5.240 9.091 1.00 0.62 H new ATOM 0 HA ASP A 380 -9.533 7.417 7.828 1.00 0.64 H new ATOM 0 HB2 ASP A 380 -9.859 6.765 10.788 1.00 0.75 H new ATOM 0 HB3 ASP A 380 -9.469 8.343 10.133 1.00 0.75 H new ATOM 273 N LYS A 381 -7.576 5.360 9.467 1.00 0.51 N ATOM 274 CA LYS A 381 -6.183 5.009 9.726 1.00 0.47 C ATOM 275 C LYS A 381 -5.343 5.107 8.454 1.00 0.39 C ATOM 276 O LYS A 381 -5.666 4.495 7.436 1.00 0.37 O ATOM 277 CB LYS A 381 -6.088 3.599 10.306 1.00 0.50 C ATOM 278 CG LYS A 381 -4.666 3.185 10.628 1.00 0.52 C ATOM 279 CD LYS A 381 -4.611 1.822 11.287 1.00 0.59 C ATOM 280 CE LYS A 381 -3.185 1.429 11.622 1.00 0.67 C ATOM 281 NZ LYS A 381 -2.531 2.421 12.519 1.00 1.66 N ATOM 0 H LYS A 381 -8.250 4.654 9.764 1.00 0.51 H new ATOM 0 HA LYS A 381 -5.789 5.721 10.452 1.00 0.47 H new ATOM 0 HB2 LYS A 381 -6.691 3.544 11.213 1.00 0.50 H new ATOM 0 HB3 LYS A 381 -6.515 2.891 9.596 1.00 0.50 H new ATOM 0 HG2 LYS A 381 -4.076 3.169 9.712 1.00 0.52 H new ATOM 0 HG3 LYS A 381 -4.212 3.926 11.287 1.00 0.52 H new ATOM 0 HD2 LYS A 381 -5.211 1.831 12.197 1.00 0.59 H new ATOM 0 HD3 LYS A 381 -5.049 1.077 10.623 1.00 0.59 H new ATOM 0 HE2 LYS A 381 -3.181 0.450 12.100 1.00 0.67 H new ATOM 0 HE3 LYS A 381 -2.608 1.336 10.702 1.00 0.67 H new ATOM 0 HZ1 LYS A 381 -1.970 1.922 13.238 1.00 1.66 H new ATOM 0 HZ2 LYS A 381 -1.907 3.037 11.959 1.00 1.66 H new ATOM 0 HZ3 LYS A 381 -3.258 2.998 12.987 1.00 1.66 H new ATOM 295 N ILE A 382 -4.271 5.893 8.520 1.00 0.40 N ATOM 296 CA ILE A 382 -3.384 6.092 7.380 1.00 0.35 C ATOM 297 C ILE A 382 -2.406 4.925 7.211 1.00 0.34 C ATOM 298 O ILE A 382 -1.652 4.600 8.131 1.00 0.41 O ATOM 299 CB ILE A 382 -2.575 7.394 7.552 1.00 0.37 C ATOM 300 CG1 ILE A 382 -3.478 8.531 8.047 1.00 0.38 C ATOM 301 CG2 ILE A 382 -1.897 7.777 6.247 1.00 0.41 C ATOM 302 CD1 ILE A 382 -4.666 8.811 7.151 1.00 0.37 C ATOM 0 H ILE A 382 -3.996 6.405 9.358 1.00 0.40 H new ATOM 0 HA ILE A 382 -4.013 6.153 6.492 1.00 0.35 H new ATOM 0 HB ILE A 382 -1.803 7.221 8.302 1.00 0.37 H new ATOM 0 HG12 ILE A 382 -3.839 8.285 9.045 1.00 0.38 H new ATOM 0 HG13 ILE A 382 -2.883 9.440 8.138 1.00 0.38 H new ATOM 0 HG21 ILE A 382 -1.331 8.698 6.388 1.00 0.41 H new ATOM 0 HG22 ILE A 382 -1.221 6.979 5.940 1.00 0.41 H new ATOM 0 HG23 ILE A 382 -2.652 7.929 5.476 1.00 0.41 H new ATOM 0 HD11 ILE A 382 -5.254 9.627 7.571 1.00 0.37 H new ATOM 0 HD12 ILE A 382 -4.315 9.090 6.158 1.00 0.37 H new ATOM 0 HD13 ILE A 382 -5.286 7.917 7.079 1.00 0.37 H new ATOM 314 N TYR A 383 -2.401 4.315 6.024 1.00 0.30 N ATOM 315 CA TYR A 383 -1.491 3.205 5.732 1.00 0.30 C ATOM 316 C TYR A 383 -0.344 3.682 4.847 1.00 0.28 C ATOM 317 O TYR A 383 -0.543 4.518 3.971 1.00 0.25 O ATOM 318 CB TYR A 383 -2.218 2.060 5.018 1.00 0.32 C ATOM 319 CG TYR A 383 -3.262 1.348 5.848 1.00 0.36 C ATOM 320 CD1 TYR A 383 -4.356 2.026 6.370 1.00 0.40 C ATOM 321 CD2 TYR A 383 -3.155 -0.014 6.098 1.00 0.48 C ATOM 322 CE1 TYR A 383 -5.312 1.366 7.117 1.00 0.48 C ATOM 323 CE2 TYR A 383 -4.105 -0.679 6.846 1.00 0.55 C ATOM 324 CZ TYR A 383 -5.183 0.014 7.352 1.00 0.52 C ATOM 325 OH TYR A 383 -6.131 -0.648 8.094 1.00 0.63 O ATOM 0 H TYR A 383 -3.015 4.570 5.251 1.00 0.30 H new ATOM 0 HA TYR A 383 -1.105 2.841 6.684 1.00 0.30 H new ATOM 0 HB2 TYR A 383 -2.696 2.456 4.122 1.00 0.32 H new ATOM 0 HB3 TYR A 383 -1.479 1.330 4.688 1.00 0.32 H new ATOM 0 HD1 TYR A 383 -4.461 3.086 6.189 1.00 0.40 H new ATOM 0 HD2 TYR A 383 -2.314 -0.562 5.700 1.00 0.48 H new ATOM 0 HE1 TYR A 383 -6.157 1.907 7.515 1.00 0.48 H new ATOM 0 HE2 TYR A 383 -4.004 -1.738 7.034 1.00 0.55 H new ATOM 0 HH TYR A 383 -5.889 -1.595 8.163 1.00 0.63 H new ATOM 335 N PHE A 384 0.852 3.142 5.059 1.00 0.31 N ATOM 336 CA PHE A 384 1.999 3.530 4.245 1.00 0.30 C ATOM 337 C PHE A 384 2.189 2.564 3.077 1.00 0.28 C ATOM 338 O PHE A 384 2.106 1.345 3.241 1.00 0.33 O ATOM 339 CB PHE A 384 3.283 3.597 5.080 1.00 0.40 C ATOM 340 CG PHE A 384 3.231 4.565 6.235 1.00 0.48 C ATOM 341 CD1 PHE A 384 2.244 5.540 6.288 1.00 0.83 C ATOM 342 CD2 PHE A 384 4.166 4.512 7.261 1.00 0.57 C ATOM 343 CE1 PHE A 384 2.190 6.435 7.339 1.00 0.96 C ATOM 344 CE2 PHE A 384 4.115 5.406 8.312 1.00 0.64 C ATOM 345 CZ PHE A 384 3.146 6.334 8.382 1.00 0.74 C ATOM 0 H PHE A 384 1.051 2.445 5.776 1.00 0.31 H new ATOM 0 HA PHE A 384 1.794 4.526 3.851 1.00 0.30 H new ATOM 0 HB2 PHE A 384 3.502 2.602 5.467 1.00 0.40 H new ATOM 0 HB3 PHE A 384 4.111 3.874 4.428 1.00 0.40 H new ATOM 0 HD1 PHE A 384 1.510 5.599 5.498 1.00 0.83 H new ATOM 0 HD2 PHE A 384 4.943 3.762 7.236 1.00 0.57 H new ATOM 0 HE1 PHE A 384 1.430 7.202 7.366 1.00 0.96 H new ATOM 0 HE2 PHE A 384 4.864 5.359 9.088 1.00 0.64 H new ATOM 0 HZ PHE A 384 3.095 7.001 9.230 1.00 0.74 H new ATOM 355 N ILE A 385 2.448 3.123 1.898 1.00 0.26 N ATOM 356 CA ILE A 385 2.658 2.331 0.693 1.00 0.27 C ATOM 357 C ILE A 385 4.054 2.584 0.138 1.00 0.24 C ATOM 358 O ILE A 385 4.434 3.730 -0.099 1.00 0.30 O ATOM 359 CB ILE A 385 1.623 2.662 -0.408 1.00 0.33 C ATOM 360 CG1 ILE A 385 0.189 2.521 0.114 1.00 0.32 C ATOM 361 CG2 ILE A 385 1.833 1.761 -1.616 1.00 0.49 C ATOM 362 CD1 ILE A 385 -0.232 3.625 1.057 1.00 0.32 C ATOM 0 H ILE A 385 2.518 4.130 1.753 1.00 0.26 H new ATOM 0 HA ILE A 385 2.541 1.285 0.975 1.00 0.27 H new ATOM 0 HB ILE A 385 1.772 3.700 -0.707 1.00 0.33 H new ATOM 0 HG12 ILE A 385 -0.495 2.501 -0.734 1.00 0.32 H new ATOM 0 HG13 ILE A 385 0.092 1.563 0.625 1.00 0.32 H new ATOM 0 HG21 ILE A 385 1.098 2.004 -2.383 1.00 0.49 H new ATOM 0 HG22 ILE A 385 2.837 1.913 -2.013 1.00 0.49 H new ATOM 0 HG23 ILE A 385 1.715 0.719 -1.318 1.00 0.49 H new ATOM 0 HD11 ILE A 385 -1.258 3.454 1.382 1.00 0.32 H new ATOM 0 HD12 ILE A 385 0.427 3.633 1.925 1.00 0.32 H new ATOM 0 HD13 ILE A 385 -0.169 4.585 0.545 1.00 0.32 H new ATOM 374 N ARG A 386 4.818 1.517 -0.069 1.00 0.29 N ATOM 375 CA ARG A 386 6.171 1.652 -0.597 1.00 0.30 C ATOM 376 C ARG A 386 6.170 1.617 -2.120 1.00 0.33 C ATOM 377 O ARG A 386 5.724 0.644 -2.728 1.00 0.42 O ATOM 378 CB ARG A 386 7.074 0.545 -0.049 1.00 0.38 C ATOM 379 CG ARG A 386 8.529 0.691 -0.467 1.00 0.50 C ATOM 380 CD ARG A 386 9.404 -0.374 0.174 1.00 1.02 C ATOM 381 NE ARG A 386 10.830 -0.124 -0.042 1.00 1.40 N ATOM 382 CZ ARG A 386 11.420 -0.151 -1.233 1.00 1.86 C ATOM 383 NH1 ARG A 386 10.723 -0.449 -2.323 1.00 2.42 N ATOM 384 NH2 ARG A 386 12.715 0.126 -1.336 1.00 2.39 N ATOM 0 H ARG A 386 4.527 0.557 0.119 1.00 0.29 H new ATOM 0 HA ARG A 386 6.560 2.618 -0.275 1.00 0.30 H new ATOM 0 HB2 ARG A 386 7.015 0.543 1.039 1.00 0.38 H new ATOM 0 HB3 ARG A 386 6.701 -0.421 -0.390 1.00 0.38 H new ATOM 0 HG2 ARG A 386 8.605 0.621 -1.552 1.00 0.50 H new ATOM 0 HG3 ARG A 386 8.892 1.679 -0.185 1.00 0.50 H new ATOM 0 HD2 ARG A 386 9.202 -0.411 1.244 1.00 1.02 H new ATOM 0 HD3 ARG A 386 9.142 -1.350 -0.234 1.00 1.02 H new ATOM 0 HE ARG A 386 11.407 0.084 0.773 1.00 1.40 H new ATOM 0 HH11 ARG A 386 9.728 -0.659 -2.250 1.00 2.42 H new ATOM 0 HH12 ARG A 386 11.183 -0.468 -3.233 1.00 2.42 H new ATOM 0 HH21 ARG A 386 13.255 0.359 -0.502 1.00 2.39 H new ATOM 0 HH22 ARG A 386 13.170 0.106 -2.249 1.00 2.39 H new ATOM 398 N ARG A 387 6.682 2.680 -2.730 1.00 0.41 N ATOM 399 CA ARG A 387 6.751 2.766 -4.182 1.00 0.51 C ATOM 400 C ARG A 387 7.938 1.968 -4.711 1.00 0.49 C ATOM 401 O ARG A 387 8.799 1.539 -3.942 1.00 0.47 O ATOM 402 CB ARG A 387 6.847 4.226 -4.631 1.00 0.63 C ATOM 403 CG ARG A 387 5.632 5.059 -4.252 1.00 0.84 C ATOM 404 CD ARG A 387 5.748 6.486 -4.766 1.00 0.94 C ATOM 405 NE ARG A 387 5.849 6.542 -6.223 1.00 1.32 N ATOM 406 CZ ARG A 387 4.854 6.232 -7.050 1.00 1.79 C ATOM 407 NH1 ARG A 387 3.662 5.903 -6.571 1.00 2.30 N ATOM 408 NH2 ARG A 387 5.046 6.270 -8.361 1.00 2.25 N ATOM 0 H ARG A 387 7.055 3.494 -2.241 1.00 0.41 H new ATOM 0 HA ARG A 387 5.837 2.338 -4.593 1.00 0.51 H new ATOM 0 HB2 ARG A 387 7.737 4.675 -4.191 1.00 0.63 H new ATOM 0 HB3 ARG A 387 6.976 4.257 -5.713 1.00 0.63 H new ATOM 0 HG2 ARG A 387 4.732 4.597 -4.659 1.00 0.84 H new ATOM 0 HG3 ARG A 387 5.522 5.070 -3.168 1.00 0.84 H new ATOM 0 HD2 ARG A 387 4.879 7.059 -4.442 1.00 0.94 H new ATOM 0 HD3 ARG A 387 6.625 6.959 -4.324 1.00 0.94 H new ATOM 0 HE ARG A 387 6.736 6.837 -6.631 1.00 1.32 H new ATOM 0 HH11 ARG A 387 3.504 5.887 -5.563 1.00 2.30 H new ATOM 0 HH12 ARG A 387 2.903 5.666 -7.210 1.00 2.30 H new ATOM 0 HH21 ARG A 387 5.956 6.537 -8.736 1.00 2.25 H new ATOM 0 HH22 ARG A 387 4.283 6.032 -8.995 1.00 2.25 H new ATOM 422 N GLU A 388 7.974 1.767 -6.023 1.00 0.64 N ATOM 423 CA GLU A 388 9.052 1.014 -6.655 1.00 0.69 C ATOM 424 C GLU A 388 10.415 1.614 -6.321 1.00 0.61 C ATOM 425 O GLU A 388 11.370 0.890 -6.037 1.00 0.63 O ATOM 426 CB GLU A 388 8.856 0.986 -8.172 1.00 0.88 C ATOM 427 CG GLU A 388 7.537 0.367 -8.610 1.00 1.58 C ATOM 428 CD GLU A 388 7.420 -1.099 -8.231 1.00 2.20 C ATOM 429 OE1 GLU A 388 7.428 -1.404 -7.019 1.00 2.65 O ATOM 430 OE2 GLU A 388 7.318 -1.941 -9.147 1.00 2.82 O ATOM 0 H GLU A 388 7.268 2.115 -6.671 1.00 0.64 H new ATOM 0 HA GLU A 388 9.022 -0.004 -6.267 1.00 0.69 H new ATOM 0 HB2 GLU A 388 8.913 2.005 -8.555 1.00 0.88 H new ATOM 0 HB3 GLU A 388 9.676 0.429 -8.625 1.00 0.88 H new ATOM 0 HG2 GLU A 388 6.714 0.921 -8.159 1.00 1.58 H new ATOM 0 HG3 GLU A 388 7.435 0.467 -9.691 1.00 1.58 H new ATOM 437 N ASP A 389 10.500 2.940 -6.366 1.00 0.65 N ATOM 438 CA ASP A 389 11.747 3.643 -6.077 1.00 0.69 C ATOM 439 C ASP A 389 12.092 3.607 -4.586 1.00 0.64 C ATOM 440 O ASP A 389 13.058 4.236 -4.154 1.00 0.91 O ATOM 441 CB ASP A 389 11.664 5.093 -6.561 1.00 0.81 C ATOM 442 CG ASP A 389 10.493 5.844 -5.957 1.00 0.80 C ATOM 443 OD1 ASP A 389 9.742 5.232 -5.168 1.00 1.06 O ATOM 444 OD2 ASP A 389 10.326 7.041 -6.270 1.00 1.23 O ATOM 0 H ASP A 389 9.718 3.552 -6.600 1.00 0.65 H new ATOM 0 HA ASP A 389 12.543 3.127 -6.613 1.00 0.69 H new ATOM 0 HB2 ASP A 389 12.590 5.609 -6.310 1.00 0.81 H new ATOM 0 HB3 ASP A 389 11.577 5.105 -7.647 1.00 0.81 H new ATOM 449 N GLY A 390 11.308 2.869 -3.805 1.00 0.55 N ATOM 450 CA GLY A 390 11.567 2.774 -2.376 1.00 0.53 C ATOM 451 C GLY A 390 11.209 4.039 -1.622 1.00 0.55 C ATOM 452 O GLY A 390 12.006 4.540 -0.827 1.00 1.03 O ATOM 0 H GLY A 390 10.502 2.337 -4.132 1.00 0.55 H new ATOM 0 HA2 GLY A 390 10.999 1.940 -1.964 1.00 0.53 H new ATOM 0 HA3 GLY A 390 12.622 2.550 -2.218 1.00 0.53 H new ATOM 456 N THR A 391 10.010 4.558 -1.866 1.00 0.57 N ATOM 457 CA THR A 391 9.555 5.771 -1.196 1.00 0.54 C ATOM 458 C THR A 391 8.279 5.526 -0.400 1.00 0.41 C ATOM 459 O THR A 391 7.209 5.320 -0.975 1.00 0.44 O ATOM 460 CB THR A 391 9.297 6.905 -2.203 1.00 0.71 C ATOM 461 OG1 THR A 391 8.277 6.516 -3.129 1.00 0.98 O ATOM 462 CG2 THR A 391 10.565 7.253 -2.962 1.00 0.88 C ATOM 0 H THR A 391 9.338 4.159 -2.521 1.00 0.57 H new ATOM 0 HA THR A 391 10.353 6.065 -0.515 1.00 0.54 H new ATOM 0 HB THR A 391 8.970 7.784 -1.648 1.00 0.71 H new ATOM 0 HG1 THR A 391 7.575 6.024 -2.655 1.00 0.98 H new ATOM 0 HG21 THR A 391 10.357 8.057 -3.668 1.00 0.88 H new ATOM 0 HG22 THR A 391 11.333 7.576 -2.259 1.00 0.88 H new ATOM 0 HG23 THR A 391 10.917 6.376 -3.505 1.00 0.88 H new ATOM 470 N VAL A 392 8.390 5.565 0.925 1.00 0.37 N ATOM 471 CA VAL A 392 7.232 5.364 1.787 1.00 0.33 C ATOM 472 C VAL A 392 6.295 6.563 1.693 1.00 0.32 C ATOM 473 O VAL A 392 6.722 7.706 1.858 1.00 0.41 O ATOM 474 CB VAL A 392 7.654 5.153 3.258 1.00 0.45 C ATOM 475 CG1 VAL A 392 6.434 4.935 4.146 1.00 0.55 C ATOM 476 CG2 VAL A 392 8.614 3.979 3.369 1.00 0.52 C ATOM 0 H VAL A 392 9.265 5.733 1.422 1.00 0.37 H new ATOM 0 HA VAL A 392 6.716 4.467 1.446 1.00 0.33 H new ATOM 0 HB VAL A 392 8.165 6.053 3.601 1.00 0.45 H new ATOM 0 HG11 VAL A 392 6.756 4.789 5.177 1.00 0.55 H new ATOM 0 HG12 VAL A 392 5.782 5.807 4.090 1.00 0.55 H new ATOM 0 HG13 VAL A 392 5.890 4.053 3.807 1.00 0.55 H new ATOM 0 HG21 VAL A 392 8.903 3.842 4.411 1.00 0.52 H new ATOM 0 HG22 VAL A 392 8.126 3.074 3.006 1.00 0.52 H new ATOM 0 HG23 VAL A 392 9.502 4.178 2.769 1.00 0.52 H new ATOM 486 N HIS A 393 5.021 6.303 1.417 1.00 0.29 N ATOM 487 CA HIS A 393 4.039 7.375 1.292 1.00 0.31 C ATOM 488 C HIS A 393 2.675 6.946 1.817 1.00 0.27 C ATOM 489 O HIS A 393 2.209 5.842 1.546 1.00 0.26 O ATOM 490 CB HIS A 393 3.917 7.821 -0.165 1.00 0.37 C ATOM 491 CG HIS A 393 5.147 8.494 -0.691 1.00 0.92 C ATOM 492 ND1 HIS A 393 5.665 9.648 -0.142 1.00 1.92 N ATOM 493 CD2 HIS A 393 5.964 8.169 -1.719 1.00 0.94 C ATOM 494 CE1 HIS A 393 6.747 10.005 -0.810 1.00 2.43 C ATOM 495 NE2 HIS A 393 6.950 9.123 -1.772 1.00 1.82 N ATOM 0 H HIS A 393 4.646 5.365 1.276 1.00 0.29 H new ATOM 0 HA HIS A 393 4.388 8.212 1.896 1.00 0.31 H new ATOM 0 HB2 HIS A 393 3.695 6.952 -0.785 1.00 0.37 H new ATOM 0 HB3 HIS A 393 3.072 8.503 -0.258 1.00 0.37 H new ATOM 0 HD1 HIS A 393 5.273 10.148 0.656 1.00 1.92 H new ATOM 0 HD2 HIS A 393 5.860 7.318 -2.376 1.00 0.94 H new ATOM 0 HE1 HIS A 393 7.361 10.870 -0.605 1.00 2.43 H new ATOM 504 N ARG A 394 2.043 7.833 2.577 1.00 0.29 N ATOM 505 CA ARG A 394 0.734 7.563 3.159 1.00 0.28 C ATOM 506 C ARG A 394 -0.296 7.179 2.100 1.00 0.26 C ATOM 507 O ARG A 394 -0.164 7.528 0.927 1.00 0.32 O ATOM 508 CB ARG A 394 0.252 8.778 3.947 1.00 0.35 C ATOM 509 CG ARG A 394 1.168 9.148 5.101 1.00 0.42 C ATOM 510 CD ARG A 394 0.713 10.423 5.790 1.00 0.52 C ATOM 511 NE ARG A 394 1.616 10.813 6.872 1.00 1.34 N ATOM 512 CZ ARG A 394 2.891 11.150 6.688 1.00 2.01 C ATOM 513 NH1 ARG A 394 3.408 11.176 5.466 1.00 2.41 N ATOM 514 NH2 ARG A 394 3.650 11.470 7.727 1.00 2.96 N ATOM 0 H ARG A 394 2.420 8.753 2.806 1.00 0.29 H new ATOM 0 HA ARG A 394 0.842 6.712 3.832 1.00 0.28 H new ATOM 0 HB2 ARG A 394 0.167 9.630 3.272 1.00 0.35 H new ATOM 0 HB3 ARG A 394 -0.747 8.578 4.335 1.00 0.35 H new ATOM 0 HG2 ARG A 394 1.192 8.332 5.823 1.00 0.42 H new ATOM 0 HG3 ARG A 394 2.185 9.277 4.732 1.00 0.42 H new ATOM 0 HD2 ARG A 394 0.654 11.229 5.059 1.00 0.52 H new ATOM 0 HD3 ARG A 394 -0.291 10.281 6.189 1.00 0.52 H new ATOM 0 HE ARG A 394 1.248 10.828 7.823 1.00 1.34 H new ATOM 0 HH11 ARG A 394 2.828 10.937 4.662 1.00 2.41 H new ATOM 0 HH12 ARG A 394 4.385 11.435 5.331 1.00 2.41 H new ATOM 0 HH21 ARG A 394 3.257 11.458 8.668 1.00 2.96 H new ATOM 0 HH22 ARG A 394 4.627 11.728 7.585 1.00 2.96 H new ATOM 528 N GLY A 395 -1.316 6.445 2.536 1.00 0.23 N ATOM 529 CA GLY A 395 -2.374 5.994 1.648 1.00 0.25 C ATOM 530 C GLY A 395 -3.388 5.135 2.386 1.00 0.23 C ATOM 531 O GLY A 395 -3.017 4.168 3.049 1.00 0.26 O ATOM 0 H GLY A 395 -1.429 6.150 3.506 1.00 0.23 H new ATOM 0 HA2 GLY A 395 -2.876 6.857 1.210 1.00 0.25 H new ATOM 0 HA3 GLY A 395 -1.942 5.424 0.825 1.00 0.25 H new ATOM 535 N GLN A 396 -4.665 5.492 2.289 1.00 0.29 N ATOM 536 CA GLN A 396 -5.716 4.741 2.975 1.00 0.34 C ATOM 537 C GLN A 396 -6.298 3.645 2.088 1.00 0.35 C ATOM 538 O GLN A 396 -6.713 3.904 0.959 1.00 0.46 O ATOM 539 CB GLN A 396 -6.839 5.685 3.410 1.00 0.43 C ATOM 540 CG GLN A 396 -6.377 6.808 4.321 1.00 0.50 C ATOM 541 CD GLN A 396 -7.494 7.767 4.672 1.00 0.64 C ATOM 542 OE1 GLN A 396 -8.220 8.244 3.801 1.00 1.28 O ATOM 543 NE2 GLN A 396 -7.615 8.071 5.953 1.00 0.61 N ATOM 0 H GLN A 396 -4.997 6.290 1.747 1.00 0.29 H new ATOM 0 HA GLN A 396 -5.264 4.271 3.848 1.00 0.34 H new ATOM 0 HB2 GLN A 396 -7.302 6.117 2.523 1.00 0.43 H new ATOM 0 HB3 GLN A 396 -7.608 5.107 3.922 1.00 0.43 H new ATOM 0 HG2 GLN A 396 -5.966 6.383 5.237 1.00 0.50 H new ATOM 0 HG3 GLN A 396 -5.570 7.357 3.835 1.00 0.50 H new ATOM 0 HE21 GLN A 396 -6.989 7.649 6.639 1.00 0.61 H new ATOM 0 HE22 GLN A 396 -8.335 8.727 6.256 1.00 0.61 H new ATOM 552 N VAL A 397 -6.360 2.427 2.618 1.00 0.33 N ATOM 553 CA VAL A 397 -6.930 1.309 1.877 1.00 0.33 C ATOM 554 C VAL A 397 -8.447 1.333 2.025 1.00 0.33 C ATOM 555 O VAL A 397 -8.961 1.401 3.142 1.00 0.37 O ATOM 556 CB VAL A 397 -6.387 -0.046 2.371 1.00 0.38 C ATOM 557 CG1 VAL A 397 -6.686 -1.144 1.365 1.00 0.73 C ATOM 558 CG2 VAL A 397 -4.898 0.040 2.657 1.00 0.83 C ATOM 0 H VAL A 397 -6.025 2.191 3.552 1.00 0.33 H new ATOM 0 HA VAL A 397 -6.646 1.418 0.830 1.00 0.33 H new ATOM 0 HB VAL A 397 -6.893 -0.296 3.303 1.00 0.38 H new ATOM 0 HG11 VAL A 397 -6.294 -2.092 1.734 1.00 0.73 H new ATOM 0 HG12 VAL A 397 -7.764 -1.227 1.226 1.00 0.73 H new ATOM 0 HG13 VAL A 397 -6.215 -0.903 0.412 1.00 0.73 H new ATOM 0 HG21 VAL A 397 -4.538 -0.928 3.004 1.00 0.83 H new ATOM 0 HG22 VAL A 397 -4.368 0.319 1.746 1.00 0.83 H new ATOM 0 HG23 VAL A 397 -4.718 0.791 3.426 1.00 0.83 H new ATOM 568 N LEU A 398 -9.166 1.309 0.907 1.00 0.36 N ATOM 569 CA LEU A 398 -10.625 1.361 0.949 1.00 0.40 C ATOM 570 C LEU A 398 -11.266 0.138 0.298 1.00 0.41 C ATOM 571 O LEU A 398 -12.193 -0.454 0.851 1.00 0.47 O ATOM 572 CB LEU A 398 -11.118 2.632 0.253 1.00 0.46 C ATOM 573 CG LEU A 398 -10.518 3.939 0.779 1.00 0.49 C ATOM 574 CD1 LEU A 398 -11.017 5.122 -0.037 1.00 1.16 C ATOM 575 CD2 LEU A 398 -10.854 4.129 2.252 1.00 1.45 C ATOM 0 H LEU A 398 -8.768 1.254 -0.031 1.00 0.36 H new ATOM 0 HA LEU A 398 -10.921 1.368 1.998 1.00 0.40 H new ATOM 0 HB2 LEU A 398 -10.898 2.553 -0.812 1.00 0.46 H new ATOM 0 HB3 LEU A 398 -12.202 2.683 0.351 1.00 0.46 H new ATOM 0 HG LEU A 398 -9.434 3.883 0.678 1.00 0.49 H new ATOM 0 HD11 LEU A 398 -10.580 6.042 0.351 1.00 1.16 H new ATOM 0 HD12 LEU A 398 -10.726 4.994 -1.079 1.00 1.16 H new ATOM 0 HD13 LEU A 398 -12.103 5.179 0.032 1.00 1.16 H new ATOM 0 HD21 LEU A 398 -10.419 5.063 2.607 1.00 1.45 H new ATOM 0 HD22 LEU A 398 -11.936 4.162 2.377 1.00 1.45 H new ATOM 0 HD23 LEU A 398 -10.448 3.298 2.828 1.00 1.45 H new ATOM 587 N GLN A 399 -10.784 -0.223 -0.885 1.00 0.39 N ATOM 588 CA GLN A 399 -11.329 -1.360 -1.620 1.00 0.43 C ATOM 589 C GLN A 399 -10.249 -2.385 -1.950 1.00 0.38 C ATOM 590 O GLN A 399 -9.070 -2.181 -1.663 1.00 0.35 O ATOM 591 CB GLN A 399 -11.997 -0.878 -2.911 1.00 0.49 C ATOM 592 CG GLN A 399 -13.132 0.110 -2.684 1.00 0.60 C ATOM 593 CD GLN A 399 -14.311 -0.503 -1.952 1.00 1.36 C ATOM 594 OE1 GLN A 399 -14.179 -0.992 -0.830 1.00 2.08 O ATOM 595 NE2 GLN A 399 -15.478 -0.475 -2.586 1.00 2.04 N ATOM 0 H GLN A 399 -10.016 0.255 -1.357 1.00 0.39 H new ATOM 0 HA GLN A 399 -12.069 -1.844 -0.983 1.00 0.43 H new ATOM 0 HB2 GLN A 399 -11.244 -0.412 -3.547 1.00 0.49 H new ATOM 0 HB3 GLN A 399 -12.382 -1.741 -3.454 1.00 0.49 H new ATOM 0 HG2 GLN A 399 -12.758 0.960 -2.113 1.00 0.60 H new ATOM 0 HG3 GLN A 399 -13.469 0.496 -3.646 1.00 0.60 H new ATOM 0 HE21 GLN A 399 -15.544 -0.060 -3.515 1.00 2.04 H new ATOM 0 HE22 GLN A 399 -16.308 -0.868 -2.143 1.00 2.04 H new ATOM 604 N SER A 400 -10.671 -3.490 -2.557 1.00 0.42 N ATOM 605 CA SER A 400 -9.759 -4.562 -2.942 1.00 0.41 C ATOM 606 C SER A 400 -10.431 -5.484 -3.953 1.00 0.47 C ATOM 607 O SER A 400 -11.643 -5.692 -3.904 1.00 0.54 O ATOM 608 CB SER A 400 -9.314 -5.360 -1.717 1.00 0.47 C ATOM 609 OG SER A 400 -10.411 -6.020 -1.108 1.00 0.56 O ATOM 0 H SER A 400 -11.647 -3.667 -2.794 1.00 0.42 H new ATOM 0 HA SER A 400 -8.877 -4.115 -3.400 1.00 0.41 H new ATOM 0 HB2 SER A 400 -8.563 -6.093 -2.011 1.00 0.47 H new ATOM 0 HB3 SER A 400 -8.843 -4.692 -0.996 1.00 0.47 H new ATOM 0 HG SER A 400 -10.098 -6.524 -0.328 1.00 0.56 H new ATOM 615 N ARG A 401 -9.645 -6.023 -4.883 1.00 0.51 N ATOM 616 CA ARG A 401 -10.185 -6.904 -5.912 1.00 0.60 C ATOM 617 C ARG A 401 -9.081 -7.721 -6.579 1.00 0.73 C ATOM 618 O ARG A 401 -8.006 -7.203 -6.880 1.00 0.86 O ATOM 619 CB ARG A 401 -10.900 -6.073 -6.981 1.00 0.65 C ATOM 620 CG ARG A 401 -9.940 -5.274 -7.848 1.00 0.72 C ATOM 621 CD ARG A 401 -10.664 -4.405 -8.858 1.00 0.91 C ATOM 622 NE ARG A 401 -9.723 -3.727 -9.744 1.00 1.02 N ATOM 623 CZ ARG A 401 -10.082 -2.879 -10.700 1.00 1.25 C ATOM 624 NH1 ARG A 401 -11.361 -2.581 -10.885 1.00 1.55 N ATOM 625 NH2 ARG A 401 -9.156 -2.325 -11.470 1.00 1.43 N ATOM 0 H ARG A 401 -8.639 -5.866 -4.944 1.00 0.51 H new ATOM 0 HA ARG A 401 -10.885 -7.588 -5.432 1.00 0.60 H new ATOM 0 HB2 ARG A 401 -11.489 -6.735 -7.615 1.00 0.65 H new ATOM 0 HB3 ARG A 401 -11.599 -5.391 -6.497 1.00 0.65 H new ATOM 0 HG2 ARG A 401 -9.317 -4.646 -7.212 1.00 0.72 H new ATOM 0 HG3 ARG A 401 -9.273 -5.958 -8.373 1.00 0.72 H new ATOM 0 HD2 ARG A 401 -11.345 -5.019 -9.448 1.00 0.91 H new ATOM 0 HD3 ARG A 401 -11.272 -3.666 -8.336 1.00 0.91 H new ATOM 0 HE ARG A 401 -8.728 -3.916 -9.621 1.00 1.02 H new ATOM 0 HH11 ARG A 401 -12.074 -3.004 -10.291 1.00 1.55 H new ATOM 0 HH12 ARG A 401 -11.631 -1.929 -11.621 1.00 1.55 H new ATOM 0 HH21 ARG A 401 -8.172 -2.551 -11.327 1.00 1.43 H new ATOM 0 HH22 ARG A 401 -9.428 -1.673 -12.206 1.00 1.43 H new ATOM 639 N THR A 402 -9.363 -8.994 -6.831 1.00 0.82 N ATOM 640 CA THR A 402 -8.405 -9.869 -7.491 1.00 0.99 C ATOM 641 C THR A 402 -8.258 -9.471 -8.962 1.00 1.16 C ATOM 642 O THR A 402 -7.983 -8.309 -9.266 1.00 1.79 O ATOM 643 CB THR A 402 -8.832 -11.347 -7.380 1.00 1.14 C ATOM 644 OG1 THR A 402 -10.134 -11.530 -7.950 1.00 1.38 O ATOM 645 CG2 THR A 402 -8.837 -11.796 -5.927 1.00 1.29 C ATOM 0 H THR A 402 -10.247 -9.442 -6.588 1.00 0.82 H new ATOM 0 HA THR A 402 -7.443 -9.758 -6.991 1.00 0.99 H new ATOM 0 HB THR A 402 -8.113 -11.953 -7.930 1.00 1.14 H new ATOM 0 HG1 THR A 402 -10.591 -12.266 -7.492 1.00 1.38 H new ATOM 0 HG21 THR A 402 -9.141 -12.841 -5.870 1.00 1.29 H new ATOM 0 HG22 THR A 402 -7.837 -11.686 -5.509 1.00 1.29 H new ATOM 0 HG23 THR A 402 -9.537 -11.183 -5.359 1.00 1.29 H new ATOM 653 N THR A 403 -8.446 -10.424 -9.872 1.00 1.43 N ATOM 654 CA THR A 403 -8.338 -10.154 -11.301 1.00 1.62 C ATOM 655 C THR A 403 -8.962 -11.302 -12.089 1.00 1.84 C ATOM 656 O THR A 403 -9.564 -12.201 -11.501 1.00 1.85 O ATOM 657 CB THR A 403 -6.868 -9.968 -11.740 1.00 1.77 C ATOM 658 OG1 THR A 403 -6.114 -9.344 -10.695 1.00 1.78 O ATOM 659 CG2 THR A 403 -6.783 -9.102 -12.989 1.00 1.95 C ATOM 0 H THR A 403 -8.674 -11.391 -9.643 1.00 1.43 H new ATOM 0 HA THR A 403 -8.870 -9.225 -11.505 1.00 1.62 H new ATOM 0 HB THR A 403 -6.457 -10.954 -11.956 1.00 1.77 H new ATOM 0 HG1 THR A 403 -6.638 -8.613 -10.306 1.00 1.78 H new ATOM 0 HG21 THR A 403 -5.739 -8.984 -13.280 1.00 1.95 H new ATOM 0 HG22 THR A 403 -7.334 -9.578 -13.800 1.00 1.95 H new ATOM 0 HG23 THR A 403 -7.215 -8.123 -12.783 1.00 1.95 H new ATOM 667 N GLU A 404 -8.824 -11.272 -13.413 1.00 2.08 N ATOM 668 CA GLU A 404 -9.383 -12.317 -14.266 1.00 2.34 C ATOM 669 C GLU A 404 -9.096 -13.701 -13.689 1.00 2.30 C ATOM 670 O GLU A 404 -9.955 -14.583 -13.709 1.00 2.37 O ATOM 671 CB GLU A 404 -8.807 -12.212 -15.680 1.00 2.72 C ATOM 672 CG GLU A 404 -9.093 -10.879 -16.356 1.00 2.91 C ATOM 673 CD GLU A 404 -10.577 -10.606 -16.507 1.00 3.42 C ATOM 674 OE1 GLU A 404 -11.262 -11.403 -17.180 1.00 3.79 O ATOM 675 OE2 GLU A 404 -11.053 -9.593 -15.950 1.00 3.87 O ATOM 0 H GLU A 404 -8.330 -10.536 -13.917 1.00 2.08 H new ATOM 0 HA GLU A 404 -10.463 -12.178 -14.310 1.00 2.34 H new ATOM 0 HB2 GLU A 404 -7.729 -12.364 -15.636 1.00 2.72 H new ATOM 0 HB3 GLU A 404 -9.218 -13.016 -16.291 1.00 2.72 H new ATOM 0 HG2 GLU A 404 -8.637 -10.077 -15.776 1.00 2.91 H new ATOM 0 HG3 GLU A 404 -8.624 -10.867 -17.340 1.00 2.91 H new ATOM 682 N ASN A 405 -7.885 -13.880 -13.166 1.00 2.26 N ATOM 683 CA ASN A 405 -7.488 -15.151 -12.572 1.00 2.30 C ATOM 684 C ASN A 405 -8.271 -15.410 -11.285 1.00 2.07 C ATOM 685 O ASN A 405 -8.900 -16.458 -11.129 1.00 2.40 O ATOM 686 CB ASN A 405 -5.984 -15.148 -12.282 1.00 2.43 C ATOM 687 CG ASN A 405 -5.465 -16.481 -11.762 1.00 2.67 C ATOM 688 OD1 ASN A 405 -4.286 -16.607 -11.432 1.00 3.16 O ATOM 689 ND2 ASN A 405 -6.333 -17.485 -11.692 1.00 2.73 N ATOM 0 H ASN A 405 -7.163 -13.160 -13.142 1.00 2.26 H new ATOM 0 HA ASN A 405 -7.712 -15.949 -13.279 1.00 2.30 H new ATOM 0 HB2 ASN A 405 -5.446 -14.888 -13.194 1.00 2.43 H new ATOM 0 HB3 ASN A 405 -5.764 -14.371 -11.550 1.00 2.43 H new ATOM 0 HD21 ASN A 405 -6.030 -18.399 -11.356 1.00 2.73 H new ATOM 0 HD22 ASN A 405 -7.303 -17.342 -11.975 1.00 2.73 H new ATOM 696 N ALA A 406 -8.229 -14.443 -10.369 1.00 1.82 N ATOM 697 CA ALA A 406 -8.932 -14.555 -9.093 1.00 1.67 C ATOM 698 C ALA A 406 -8.602 -15.869 -8.390 1.00 1.85 C ATOM 699 O ALA A 406 -9.492 -16.613 -7.979 1.00 2.18 O ATOM 700 CB ALA A 406 -10.431 -14.414 -9.296 1.00 1.72 C ATOM 0 H ALA A 406 -7.714 -13.571 -10.488 1.00 1.82 H new ATOM 0 HA ALA A 406 -8.592 -13.742 -8.451 1.00 1.67 H new ATOM 0 HB1 ALA A 406 -10.938 -14.500 -8.335 1.00 1.72 H new ATOM 0 HB2 ALA A 406 -10.649 -13.440 -9.735 1.00 1.72 H new ATOM 0 HB3 ALA A 406 -10.783 -15.200 -9.964 1.00 1.72 H new ATOM 706 N ALA A 407 -7.310 -16.135 -8.255 1.00 1.91 N ATOM 707 CA ALA A 407 -6.825 -17.345 -7.602 1.00 2.19 C ATOM 708 C ALA A 407 -5.450 -17.084 -7.009 1.00 2.37 C ATOM 709 O ALA A 407 -4.748 -18.000 -6.583 1.00 2.77 O ATOM 710 CB ALA A 407 -6.770 -18.496 -8.592 1.00 2.38 C ATOM 0 H ALA A 407 -6.570 -15.521 -8.594 1.00 1.91 H new ATOM 0 HA ALA A 407 -7.511 -17.620 -6.801 1.00 2.19 H new ATOM 0 HB1 ALA A 407 -6.406 -19.392 -8.089 1.00 2.38 H new ATOM 0 HB2 ALA A 407 -7.768 -18.683 -8.989 1.00 2.38 H new ATOM 0 HB3 ALA A 407 -6.097 -18.240 -9.410 1.00 2.38 H new ATOM 716 N ALA A 408 -5.088 -15.808 -7.002 1.00 2.15 N ATOM 717 CA ALA A 408 -3.807 -15.349 -6.486 1.00 2.35 C ATOM 718 C ALA A 408 -3.723 -13.824 -6.573 1.00 2.05 C ATOM 719 O ALA A 408 -3.362 -13.163 -5.600 1.00 1.99 O ATOM 720 CB ALA A 408 -2.656 -15.996 -7.245 1.00 2.76 C ATOM 0 H ALA A 408 -5.680 -15.057 -7.357 1.00 2.15 H new ATOM 0 HA ALA A 408 -3.727 -15.644 -5.440 1.00 2.35 H new ATOM 0 HB1 ALA A 408 -1.708 -15.638 -6.843 1.00 2.76 H new ATOM 0 HB2 ALA A 408 -2.711 -17.079 -7.136 1.00 2.76 H new ATOM 0 HB3 ALA A 408 -2.724 -15.734 -8.301 1.00 2.76 H new ATOM 726 N PRO A 409 -4.066 -13.237 -7.744 1.00 1.99 N ATOM 727 CA PRO A 409 -4.032 -11.785 -7.937 1.00 1.80 C ATOM 728 C PRO A 409 -4.968 -11.053 -6.989 1.00 1.41 C ATOM 729 O PRO A 409 -6.004 -11.581 -6.594 1.00 1.86 O ATOM 730 CB PRO A 409 -4.482 -11.588 -9.389 1.00 2.10 C ATOM 731 CG PRO A 409 -4.280 -12.911 -10.040 1.00 2.49 C ATOM 732 CD PRO A 409 -4.514 -13.931 -8.968 1.00 2.27 C ATOM 0 HA PRO A 409 -3.041 -11.380 -7.733 1.00 1.80 H new ATOM 0 HB2 PRO A 409 -5.526 -11.279 -9.440 1.00 2.10 H new ATOM 0 HB3 PRO A 409 -3.896 -10.812 -9.882 1.00 2.10 H new ATOM 0 HG2 PRO A 409 -4.973 -13.049 -10.870 1.00 2.49 H new ATOM 0 HG3 PRO A 409 -3.273 -12.997 -10.449 1.00 2.49 H new ATOM 0 HD2 PRO A 409 -5.564 -14.219 -8.907 1.00 2.27 H new ATOM 0 HD3 PRO A 409 -3.943 -14.842 -9.147 1.00 2.27 H new ATOM 740 N ASP A 410 -4.588 -9.833 -6.627 1.00 0.92 N ATOM 741 CA ASP A 410 -5.383 -9.013 -5.723 1.00 0.79 C ATOM 742 C ASP A 410 -4.780 -7.618 -5.604 1.00 0.68 C ATOM 743 O ASP A 410 -3.561 -7.465 -5.510 1.00 0.93 O ATOM 744 CB ASP A 410 -5.478 -9.671 -4.345 1.00 1.18 C ATOM 745 CG ASP A 410 -4.118 -9.884 -3.709 1.00 1.62 C ATOM 746 OD1 ASP A 410 -3.289 -10.600 -4.306 1.00 1.99 O ATOM 747 OD2 ASP A 410 -3.883 -9.332 -2.614 1.00 2.14 O ATOM 0 H ASP A 410 -3.728 -9.388 -6.949 1.00 0.92 H new ATOM 0 HA ASP A 410 -6.389 -8.924 -6.133 1.00 0.79 H new ATOM 0 HB2 ASP A 410 -6.088 -9.049 -3.690 1.00 1.18 H new ATOM 0 HB3 ASP A 410 -5.986 -10.631 -4.438 1.00 1.18 H new ATOM 752 N GLU A 411 -5.638 -6.604 -5.622 1.00 0.54 N ATOM 753 CA GLU A 411 -5.191 -5.220 -5.529 1.00 0.45 C ATOM 754 C GLU A 411 -6.048 -4.438 -4.546 1.00 0.40 C ATOM 755 O GLU A 411 -7.273 -4.536 -4.566 1.00 0.42 O ATOM 756 CB GLU A 411 -5.250 -4.555 -6.903 1.00 0.49 C ATOM 757 CG GLU A 411 -4.381 -5.235 -7.948 1.00 0.58 C ATOM 758 CD GLU A 411 -4.455 -4.555 -9.300 1.00 1.47 C ATOM 759 OE1 GLU A 411 -5.565 -4.479 -9.868 1.00 2.10 O ATOM 760 OE2 GLU A 411 -3.403 -4.095 -9.791 1.00 2.08 O ATOM 0 H GLU A 411 -6.649 -6.715 -5.700 1.00 0.54 H new ATOM 0 HA GLU A 411 -4.162 -5.220 -5.170 1.00 0.45 H new ATOM 0 HB2 GLU A 411 -6.283 -4.549 -7.250 1.00 0.49 H new ATOM 0 HB3 GLU A 411 -4.940 -3.514 -6.807 1.00 0.49 H new ATOM 0 HG2 GLU A 411 -3.346 -5.243 -7.605 1.00 0.58 H new ATOM 0 HG3 GLU A 411 -4.690 -6.275 -8.051 1.00 0.58 H new ATOM 767 N TYR A 412 -5.400 -3.661 -3.687 1.00 0.38 N ATOM 768 CA TYR A 412 -6.113 -2.868 -2.695 1.00 0.35 C ATOM 769 C TYR A 412 -6.037 -1.380 -3.021 1.00 0.33 C ATOM 770 O TYR A 412 -4.953 -0.820 -3.183 1.00 0.34 O ATOM 771 CB TYR A 412 -5.546 -3.122 -1.296 1.00 0.39 C ATOM 772 CG TYR A 412 -5.701 -4.548 -0.810 1.00 0.45 C ATOM 773 CD1 TYR A 412 -5.228 -5.618 -1.560 1.00 0.50 C ATOM 774 CD2 TYR A 412 -6.318 -4.823 0.404 1.00 0.53 C ATOM 775 CE1 TYR A 412 -5.367 -6.919 -1.118 1.00 0.58 C ATOM 776 CE2 TYR A 412 -6.461 -6.123 0.855 1.00 0.61 C ATOM 777 CZ TYR A 412 -5.984 -7.166 0.090 1.00 0.62 C ATOM 778 OH TYR A 412 -6.123 -8.460 0.534 1.00 0.72 O ATOM 0 H TYR A 412 -4.385 -3.563 -3.658 1.00 0.38 H new ATOM 0 HA TYR A 412 -7.159 -3.173 -2.717 1.00 0.35 H new ATOM 0 HB2 TYR A 412 -4.487 -2.863 -1.293 1.00 0.39 H new ATOM 0 HB3 TYR A 412 -6.040 -2.454 -0.590 1.00 0.39 H new ATOM 0 HD1 TYR A 412 -4.743 -5.429 -2.506 1.00 0.50 H new ATOM 0 HD2 TYR A 412 -6.692 -4.008 1.006 1.00 0.53 H new ATOM 0 HE1 TYR A 412 -4.995 -7.738 -1.715 1.00 0.58 H new ATOM 0 HE2 TYR A 412 -6.944 -6.320 1.801 1.00 0.61 H new ATOM 0 HH TYR A 412 -6.578 -8.461 1.402 1.00 0.72 H new ATOM 788 N TYR A 413 -7.202 -0.748 -3.103 1.00 0.33 N ATOM 789 CA TYR A 413 -7.293 0.678 -3.395 1.00 0.32 C ATOM 790 C TYR A 413 -6.609 1.484 -2.298 1.00 0.32 C ATOM 791 O TYR A 413 -6.664 1.111 -1.127 1.00 0.40 O ATOM 792 CB TYR A 413 -8.761 1.088 -3.499 1.00 0.36 C ATOM 793 CG TYR A 413 -8.977 2.512 -3.963 1.00 0.38 C ATOM 794 CD1 TYR A 413 -8.253 3.031 -5.029 1.00 0.40 C ATOM 795 CD2 TYR A 413 -9.899 3.340 -3.332 1.00 0.44 C ATOM 796 CE1 TYR A 413 -8.442 4.333 -5.453 1.00 0.44 C ATOM 797 CE2 TYR A 413 -10.092 4.641 -3.751 1.00 0.48 C ATOM 798 CZ TYR A 413 -9.383 5.127 -4.821 1.00 0.46 C ATOM 799 OH TYR A 413 -9.553 6.429 -5.231 1.00 0.51 O ATOM 0 H TYR A 413 -8.104 -1.205 -2.970 1.00 0.33 H new ATOM 0 HA TYR A 413 -6.793 0.879 -4.343 1.00 0.32 H new ATOM 0 HB2 TYR A 413 -9.267 0.413 -4.189 1.00 0.36 H new ATOM 0 HB3 TYR A 413 -9.232 0.960 -2.524 1.00 0.36 H new ATOM 0 HD1 TYR A 413 -7.531 2.407 -5.535 1.00 0.40 H new ATOM 0 HD2 TYR A 413 -10.473 2.959 -2.501 1.00 0.44 H new ATOM 0 HE1 TYR A 413 -7.859 4.728 -6.272 1.00 0.44 H new ATOM 0 HE2 TYR A 413 -10.800 5.275 -3.238 1.00 0.48 H new ATOM 0 HH TYR A 413 -10.251 6.854 -4.690 1.00 0.51 H new ATOM 809 N VAL A 414 -5.959 2.582 -2.672 1.00 0.33 N ATOM 810 CA VAL A 414 -5.271 3.412 -1.697 1.00 0.33 C ATOM 811 C VAL A 414 -5.345 4.895 -2.034 1.00 0.29 C ATOM 812 O VAL A 414 -5.019 5.314 -3.144 1.00 0.38 O ATOM 813 CB VAL A 414 -3.792 3.016 -1.563 1.00 0.39 C ATOM 814 CG1 VAL A 414 -3.608 2.008 -0.442 1.00 1.09 C ATOM 815 CG2 VAL A 414 -3.261 2.462 -2.878 1.00 1.15 C ATOM 0 H VAL A 414 -5.896 2.913 -3.635 1.00 0.33 H new ATOM 0 HA VAL A 414 -5.788 3.241 -0.753 1.00 0.33 H new ATOM 0 HB VAL A 414 -3.220 3.910 -1.316 1.00 0.39 H new ATOM 0 HG11 VAL A 414 -2.554 1.740 -0.363 1.00 1.09 H new ATOM 0 HG12 VAL A 414 -3.943 2.445 0.499 1.00 1.09 H new ATOM 0 HG13 VAL A 414 -4.194 1.115 -0.656 1.00 1.09 H new ATOM 0 HG21 VAL A 414 -2.213 2.188 -2.761 1.00 1.15 H new ATOM 0 HG22 VAL A 414 -3.837 1.581 -3.160 1.00 1.15 H new ATOM 0 HG23 VAL A 414 -3.353 3.220 -3.656 1.00 1.15 H new ATOM 825 N HIS A 415 -5.745 5.680 -1.041 1.00 0.33 N ATOM 826 CA HIS A 415 -5.836 7.125 -1.178 1.00 0.32 C ATOM 827 C HIS A 415 -4.648 7.770 -0.475 1.00 0.32 C ATOM 828 O HIS A 415 -4.660 7.943 0.743 1.00 0.34 O ATOM 829 CB HIS A 415 -7.152 7.635 -0.579 1.00 0.37 C ATOM 830 CG HIS A 415 -7.224 9.124 -0.443 1.00 0.44 C ATOM 831 ND1 HIS A 415 -7.048 9.989 -1.501 1.00 0.50 N ATOM 832 CD2 HIS A 415 -7.459 9.899 0.639 1.00 0.54 C ATOM 833 CE1 HIS A 415 -7.169 11.234 -1.075 1.00 0.60 C ATOM 834 NE2 HIS A 415 -7.420 11.207 0.221 1.00 0.62 N ATOM 0 H HIS A 415 -6.014 5.332 -0.121 1.00 0.33 H new ATOM 0 HA HIS A 415 -5.818 7.390 -2.235 1.00 0.32 H new ATOM 0 HB2 HIS A 415 -7.979 7.297 -1.204 1.00 0.37 H new ATOM 0 HB3 HIS A 415 -7.291 7.184 0.403 1.00 0.37 H new ATOM 0 HD1 HIS A 415 -6.854 9.712 -2.463 1.00 0.50 H new ATOM 0 HD2 HIS A 415 -7.643 9.554 1.646 1.00 0.54 H new ATOM 0 HE1 HIS A 415 -7.078 12.122 -1.683 1.00 0.60 H new ATOM 843 N TYR A 416 -3.615 8.098 -1.243 1.00 0.37 N ATOM 844 CA TYR A 416 -2.416 8.694 -0.673 1.00 0.40 C ATOM 845 C TYR A 416 -2.754 9.918 0.163 1.00 0.45 C ATOM 846 O TYR A 416 -3.094 10.978 -0.361 1.00 0.57 O ATOM 847 CB TYR A 416 -1.411 9.049 -1.768 1.00 0.46 C ATOM 848 CG TYR A 416 -0.881 7.839 -2.501 1.00 0.47 C ATOM 849 CD1 TYR A 416 -1.674 7.149 -3.408 1.00 0.53 C ATOM 850 CD2 TYR A 416 0.414 7.386 -2.286 1.00 0.51 C ATOM 851 CE1 TYR A 416 -1.192 6.042 -4.080 1.00 0.59 C ATOM 852 CE2 TYR A 416 0.905 6.280 -2.954 1.00 0.54 C ATOM 853 CZ TYR A 416 0.097 5.611 -3.849 1.00 0.57 C ATOM 854 OH TYR A 416 0.580 4.508 -4.516 1.00 0.65 O ATOM 0 H TYR A 416 -3.585 7.962 -2.253 1.00 0.37 H new ATOM 0 HA TYR A 416 -1.958 7.955 -0.016 1.00 0.40 H new ATOM 0 HB2 TYR A 416 -1.885 9.721 -2.484 1.00 0.46 H new ATOM 0 HB3 TYR A 416 -0.576 9.592 -1.325 1.00 0.46 H new ATOM 0 HD1 TYR A 416 -2.685 7.483 -3.591 1.00 0.53 H new ATOM 0 HD2 TYR A 416 1.049 7.907 -1.584 1.00 0.51 H new ATOM 0 HE1 TYR A 416 -1.822 5.517 -4.783 1.00 0.59 H new ATOM 0 HE2 TYR A 416 1.915 5.942 -2.776 1.00 0.54 H new ATOM 0 HH TYR A 416 1.505 4.338 -4.240 1.00 0.65 H new ATOM 864 N VAL A 417 -2.660 9.742 1.475 1.00 0.45 N ATOM 865 CA VAL A 417 -2.953 10.804 2.423 1.00 0.55 C ATOM 866 C VAL A 417 -1.928 11.926 2.325 1.00 0.66 C ATOM 867 O VAL A 417 -0.721 11.686 2.342 1.00 1.34 O ATOM 868 CB VAL A 417 -2.991 10.245 3.856 1.00 0.68 C ATOM 869 CG1 VAL A 417 -3.313 11.327 4.874 1.00 1.10 C ATOM 870 CG2 VAL A 417 -4.005 9.124 3.930 1.00 1.01 C ATOM 0 H VAL A 417 -2.380 8.862 1.908 1.00 0.45 H new ATOM 0 HA VAL A 417 -3.932 11.215 2.176 1.00 0.55 H new ATOM 0 HB VAL A 417 -2.002 9.859 4.102 1.00 0.68 H new ATOM 0 HG11 VAL A 417 -3.331 10.893 5.874 1.00 1.10 H new ATOM 0 HG12 VAL A 417 -2.552 12.106 4.830 1.00 1.10 H new ATOM 0 HG13 VAL A 417 -4.288 11.760 4.649 1.00 1.10 H new ATOM 0 HG21 VAL A 417 -4.034 8.726 4.944 1.00 1.01 H new ATOM 0 HG22 VAL A 417 -4.990 9.506 3.662 1.00 1.01 H new ATOM 0 HG23 VAL A 417 -3.722 8.331 3.237 1.00 1.01 H new ATOM 880 N GLY A 418 -2.424 13.152 2.216 1.00 0.71 N ATOM 881 CA GLY A 418 -1.548 14.307 2.105 1.00 0.82 C ATOM 882 C GLY A 418 -1.037 14.519 0.689 1.00 0.72 C ATOM 883 O GLY A 418 -1.043 15.642 0.185 1.00 0.76 O ATOM 0 H GLY A 418 -3.420 13.370 2.202 1.00 0.71 H new ATOM 0 HA2 GLY A 418 -2.085 15.198 2.431 1.00 0.82 H new ATOM 0 HA3 GLY A 418 -0.700 14.181 2.778 1.00 0.82 H new ATOM 887 N LEU A 419 -0.593 13.440 0.049 1.00 0.66 N ATOM 888 CA LEU A 419 -0.075 13.513 -1.316 1.00 0.60 C ATOM 889 C LEU A 419 -1.168 13.904 -2.307 1.00 0.59 C ATOM 890 O LEU A 419 -2.355 13.884 -1.982 1.00 0.76 O ATOM 891 CB LEU A 419 0.555 12.179 -1.732 1.00 0.58 C ATOM 892 CG LEU A 419 1.862 11.820 -1.018 1.00 0.78 C ATOM 893 CD1 LEU A 419 1.614 11.497 0.447 1.00 1.60 C ATOM 894 CD2 LEU A 419 2.545 10.654 -1.716 1.00 1.40 C ATOM 0 H LEU A 419 -0.581 12.504 0.454 1.00 0.66 H new ATOM 0 HA LEU A 419 0.693 14.286 -1.331 1.00 0.60 H new ATOM 0 HB2 LEU A 419 -0.168 11.383 -1.553 1.00 0.58 H new ATOM 0 HB3 LEU A 419 0.742 12.204 -2.806 1.00 0.58 H new ATOM 0 HG LEU A 419 2.522 12.686 -1.063 1.00 0.78 H new ATOM 0 HD11 LEU A 419 2.559 11.246 0.929 1.00 1.60 H new ATOM 0 HD12 LEU A 419 1.173 12.363 0.941 1.00 1.60 H new ATOM 0 HD13 LEU A 419 0.932 10.650 0.522 1.00 1.60 H new ATOM 0 HD21 LEU A 419 3.472 10.411 -1.196 1.00 1.40 H new ATOM 0 HD22 LEU A 419 1.885 9.786 -1.705 1.00 1.40 H new ATOM 0 HD23 LEU A 419 2.768 10.927 -2.747 1.00 1.40 H new ATOM 906 N ASN A 420 -0.750 14.267 -3.519 1.00 0.61 N ATOM 907 CA ASN A 420 -1.676 14.676 -4.573 1.00 0.63 C ATOM 908 C ASN A 420 -2.756 13.622 -4.811 1.00 0.56 C ATOM 909 O ASN A 420 -2.497 12.421 -4.733 1.00 0.56 O ATOM 910 CB ASN A 420 -0.913 14.941 -5.871 1.00 0.75 C ATOM 911 CG ASN A 420 0.123 16.037 -5.716 1.00 1.57 C ATOM 912 OD1 ASN A 420 -0.206 17.175 -5.383 1.00 2.53 O ATOM 913 ND2 ASN A 420 1.384 15.698 -5.958 1.00 1.98 N ATOM 0 H ASN A 420 0.231 14.286 -3.796 1.00 0.61 H new ATOM 0 HA ASN A 420 -2.166 15.593 -4.246 1.00 0.63 H new ATOM 0 HB2 ASN A 420 -0.422 14.023 -6.195 1.00 0.75 H new ATOM 0 HB3 ASN A 420 -1.618 15.219 -6.654 1.00 0.75 H new ATOM 0 HD21 ASN A 420 2.125 16.393 -5.870 1.00 1.98 H new ATOM 0 HD22 ASN A 420 1.612 14.742 -6.232 1.00 1.98 H new ATOM 920 N ARG A 421 -3.970 14.089 -5.100 1.00 0.62 N ATOM 921 CA ARG A 421 -5.102 13.200 -5.348 1.00 0.67 C ATOM 922 C ARG A 421 -4.851 12.308 -6.563 1.00 0.66 C ATOM 923 O ARG A 421 -5.230 11.138 -6.571 1.00 0.69 O ATOM 924 CB ARG A 421 -6.380 14.015 -5.568 1.00 0.87 C ATOM 925 CG ARG A 421 -6.682 15.000 -4.450 1.00 1.09 C ATOM 926 CD ARG A 421 -7.994 15.731 -4.694 1.00 1.51 C ATOM 927 NE ARG A 421 -8.254 16.748 -3.676 1.00 2.25 N ATOM 928 CZ ARG A 421 -7.501 17.832 -3.506 1.00 3.00 C ATOM 929 NH1 ARG A 421 -6.459 18.052 -4.296 1.00 3.28 N ATOM 930 NH2 ARG A 421 -7.797 18.701 -2.548 1.00 3.98 N ATOM 0 H ARG A 421 -4.194 15.082 -5.168 1.00 0.62 H new ATOM 0 HA ARG A 421 -5.222 12.564 -4.471 1.00 0.67 H new ATOM 0 HB2 ARG A 421 -6.294 14.562 -6.507 1.00 0.87 H new ATOM 0 HB3 ARG A 421 -7.222 13.331 -5.674 1.00 0.87 H new ATOM 0 HG2 ARG A 421 -6.731 14.470 -3.499 1.00 1.09 H new ATOM 0 HG3 ARG A 421 -5.870 15.723 -4.371 1.00 1.09 H new ATOM 0 HD2 ARG A 421 -7.969 16.201 -5.677 1.00 1.51 H new ATOM 0 HD3 ARG A 421 -8.813 15.012 -4.705 1.00 1.51 H new ATOM 0 HE ARG A 421 -9.058 16.619 -3.062 1.00 2.25 H new ATOM 0 HH11 ARG A 421 -6.232 17.389 -5.037 1.00 3.28 H new ATOM 0 HH12 ARG A 421 -5.884 18.884 -4.162 1.00 3.28 H new ATOM 0 HH21 ARG A 421 -8.601 18.538 -1.942 1.00 3.98 H new ATOM 0 HH22 ARG A 421 -7.220 19.532 -2.417 1.00 3.98 H new ATOM 944 N ARG A 422 -4.226 12.873 -7.590 1.00 0.71 N ATOM 945 CA ARG A 422 -3.937 12.134 -8.818 1.00 0.83 C ATOM 946 C ARG A 422 -3.126 10.871 -8.532 1.00 0.72 C ATOM 947 O ARG A 422 -3.266 9.863 -9.223 1.00 0.77 O ATOM 948 CB ARG A 422 -3.179 13.023 -9.806 1.00 1.01 C ATOM 949 CG ARG A 422 -1.832 13.501 -9.292 1.00 1.19 C ATOM 950 CD ARG A 422 -1.118 14.362 -10.319 1.00 1.49 C ATOM 951 NE ARG A 422 -0.911 13.651 -11.578 1.00 2.09 N ATOM 952 CZ ARG A 422 -0.299 14.181 -12.634 1.00 2.79 C ATOM 953 NH1 ARG A 422 0.176 15.418 -12.580 1.00 3.07 N ATOM 954 NH2 ARG A 422 -0.156 13.470 -13.744 1.00 3.71 N ATOM 0 H ARG A 422 -3.908 13.842 -7.598 1.00 0.71 H new ATOM 0 HA ARG A 422 -4.889 11.835 -9.256 1.00 0.83 H new ATOM 0 HB2 ARG A 422 -3.028 12.472 -10.734 1.00 1.01 H new ATOM 0 HB3 ARG A 422 -3.794 13.890 -10.046 1.00 1.01 H new ATOM 0 HG2 ARG A 422 -1.973 14.070 -8.373 1.00 1.19 H new ATOM 0 HG3 ARG A 422 -1.211 12.641 -9.042 1.00 1.19 H new ATOM 0 HD2 ARG A 422 -1.700 15.265 -10.504 1.00 1.49 H new ATOM 0 HD3 ARG A 422 -0.155 14.680 -9.919 1.00 1.49 H new ATOM 0 HE ARG A 422 -1.255 12.694 -11.652 1.00 2.09 H new ATOM 0 HH11 ARG A 422 0.073 15.967 -11.727 1.00 3.07 H new ATOM 0 HH12 ARG A 422 0.644 15.820 -13.392 1.00 3.07 H new ATOM 0 HH21 ARG A 422 -0.515 12.516 -13.789 1.00 3.71 H new ATOM 0 HH22 ARG A 422 0.313 13.877 -14.553 1.00 3.71 H new ATOM 968 N LEU A 423 -2.274 10.938 -7.514 1.00 0.65 N ATOM 969 CA LEU A 423 -1.434 9.819 -7.133 1.00 0.62 C ATOM 970 C LEU A 423 -2.259 8.581 -6.790 1.00 0.52 C ATOM 971 O LEU A 423 -1.787 7.454 -6.940 1.00 0.53 O ATOM 972 CB LEU A 423 -0.570 10.225 -5.944 1.00 0.69 C ATOM 973 CG LEU A 423 0.924 10.366 -6.242 1.00 0.89 C ATOM 974 CD1 LEU A 423 1.161 11.411 -7.322 1.00 1.31 C ATOM 975 CD2 LEU A 423 1.683 10.728 -4.976 1.00 1.49 C ATOM 0 H LEU A 423 -2.150 11.768 -6.935 1.00 0.65 H new ATOM 0 HA LEU A 423 -0.801 9.559 -7.982 1.00 0.62 H new ATOM 0 HB2 LEU A 423 -0.938 11.175 -5.556 1.00 0.69 H new ATOM 0 HB3 LEU A 423 -0.698 9.486 -5.153 1.00 0.69 H new ATOM 0 HG LEU A 423 1.294 9.408 -6.608 1.00 0.89 H new ATOM 0 HD11 LEU A 423 2.230 11.495 -7.518 1.00 1.31 H new ATOM 0 HD12 LEU A 423 0.647 11.113 -8.236 1.00 1.31 H new ATOM 0 HD13 LEU A 423 0.777 12.374 -6.987 1.00 1.31 H new ATOM 0 HD21 LEU A 423 2.745 10.825 -5.203 1.00 1.49 H new ATOM 0 HD22 LEU A 423 1.308 11.674 -4.585 1.00 1.49 H new ATOM 0 HD23 LEU A 423 1.542 9.945 -4.231 1.00 1.49 H new ATOM 987 N ASP A 424 -3.487 8.798 -6.327 1.00 0.49 N ATOM 988 CA ASP A 424 -4.378 7.700 -5.957 1.00 0.50 C ATOM 989 C ASP A 424 -4.427 6.633 -7.048 1.00 0.45 C ATOM 990 O ASP A 424 -4.456 6.948 -8.238 1.00 0.49 O ATOM 991 CB ASP A 424 -5.790 8.228 -5.697 1.00 0.66 C ATOM 992 CG ASP A 424 -5.840 9.244 -4.574 1.00 0.81 C ATOM 993 OD1 ASP A 424 -4.785 9.487 -3.950 1.00 0.97 O ATOM 994 OD2 ASP A 424 -6.929 9.798 -4.319 1.00 1.20 O ATOM 0 H ASP A 424 -3.889 9.726 -6.199 1.00 0.49 H new ATOM 0 HA ASP A 424 -3.984 7.247 -5.047 1.00 0.50 H new ATOM 0 HB2 ASP A 424 -6.177 8.682 -6.609 1.00 0.66 H new ATOM 0 HB3 ASP A 424 -6.446 7.392 -5.454 1.00 0.66 H new ATOM 999 N GLY A 425 -4.440 5.371 -6.630 1.00 0.44 N ATOM 1000 CA GLY A 425 -4.492 4.276 -7.579 1.00 0.50 C ATOM 1001 C GLY A 425 -4.702 2.935 -6.905 1.00 0.45 C ATOM 1002 O GLY A 425 -5.364 2.851 -5.869 1.00 0.70 O ATOM 0 H GLY A 425 -4.415 5.088 -5.650 1.00 0.44 H new ATOM 0 HA2 GLY A 425 -5.300 4.453 -8.289 1.00 0.50 H new ATOM 0 HA3 GLY A 425 -3.564 4.251 -8.151 1.00 0.50 H new ATOM 1006 N TRP A 426 -4.138 1.881 -7.490 1.00 0.50 N ATOM 1007 CA TRP A 426 -4.274 0.540 -6.934 1.00 0.44 C ATOM 1008 C TRP A 426 -2.915 -0.135 -6.785 1.00 0.45 C ATOM 1009 O TRP A 426 -2.054 -0.029 -7.660 1.00 0.57 O ATOM 1010 CB TRP A 426 -5.196 -0.322 -7.802 1.00 0.47 C ATOM 1011 CG TRP A 426 -6.605 0.171 -7.863 1.00 0.49 C ATOM 1012 CD1 TRP A 426 -7.047 1.367 -8.343 1.00 0.57 C ATOM 1013 CD2 TRP A 426 -7.756 -0.532 -7.415 1.00 0.48 C ATOM 1014 NE1 TRP A 426 -8.414 1.447 -8.220 1.00 0.61 N ATOM 1015 CE2 TRP A 426 -8.873 0.288 -7.649 1.00 0.55 C ATOM 1016 CE3 TRP A 426 -7.942 -1.781 -6.837 1.00 0.50 C ATOM 1017 CZ2 TRP A 426 -10.167 -0.109 -7.322 1.00 0.59 C ATOM 1018 CZ3 TRP A 426 -9.225 -2.180 -6.509 1.00 0.56 C ATOM 1019 CH2 TRP A 426 -10.323 -1.345 -6.752 1.00 0.59 C ATOM 0 H TRP A 426 -3.585 1.930 -8.346 1.00 0.50 H new ATOM 0 HA TRP A 426 -4.720 0.640 -5.944 1.00 0.44 H new ATOM 0 HB2 TRP A 426 -4.792 -0.364 -8.813 1.00 0.47 H new ATOM 0 HB3 TRP A 426 -5.194 -1.341 -7.416 1.00 0.47 H new ATOM 0 HD1 TRP A 426 -6.416 2.139 -8.759 1.00 0.57 H new ATOM 0 HE1 TRP A 426 -8.991 2.238 -8.506 1.00 0.61 H new ATOM 0 HE3 TRP A 426 -7.099 -2.429 -6.647 1.00 0.50 H new ATOM 0 HZ2 TRP A 426 -11.015 0.533 -7.510 1.00 0.59 H new ATOM 0 HZ3 TRP A 426 -9.382 -3.149 -6.059 1.00 0.56 H new ATOM 0 HH2 TRP A 426 -11.313 -1.683 -6.484 1.00 0.59 H new ATOM 1030 N VAL A 427 -2.733 -0.821 -5.663 1.00 0.39 N ATOM 1031 CA VAL A 427 -1.485 -1.515 -5.372 1.00 0.46 C ATOM 1032 C VAL A 427 -1.687 -3.025 -5.309 1.00 0.51 C ATOM 1033 O VAL A 427 -2.792 -3.503 -5.057 1.00 0.70 O ATOM 1034 CB VAL A 427 -0.880 -1.036 -4.048 1.00 0.64 C ATOM 1035 CG1 VAL A 427 -0.432 0.413 -4.156 1.00 0.89 C ATOM 1036 CG2 VAL A 427 -1.883 -1.205 -2.922 1.00 0.85 C ATOM 0 H VAL A 427 -3.441 -0.912 -4.934 1.00 0.39 H new ATOM 0 HA VAL A 427 -0.799 -1.282 -6.187 1.00 0.46 H new ATOM 0 HB VAL A 427 -0.004 -1.645 -3.826 1.00 0.64 H new ATOM 0 HG11 VAL A 427 -0.005 0.734 -3.206 1.00 0.89 H new ATOM 0 HG12 VAL A 427 0.320 0.504 -4.940 1.00 0.89 H new ATOM 0 HG13 VAL A 427 -1.289 1.041 -4.400 1.00 0.89 H new ATOM 0 HG21 VAL A 427 -1.441 -0.861 -1.987 1.00 0.85 H new ATOM 0 HG22 VAL A 427 -2.776 -0.618 -3.139 1.00 0.85 H new ATOM 0 HG23 VAL A 427 -2.153 -2.257 -2.830 1.00 0.85 H new ATOM 1046 N GLY A 428 -0.612 -3.770 -5.553 1.00 0.52 N ATOM 1047 CA GLY A 428 -0.689 -5.220 -5.533 1.00 0.65 C ATOM 1048 C GLY A 428 -0.700 -5.822 -4.135 1.00 0.79 C ATOM 1049 O GLY A 428 -0.224 -6.942 -3.947 1.00 1.72 O ATOM 0 H GLY A 428 0.312 -3.394 -5.765 1.00 0.52 H new ATOM 0 HA2 GLY A 428 -1.591 -5.533 -6.059 1.00 0.65 H new ATOM 0 HA3 GLY A 428 0.159 -5.626 -6.085 1.00 0.65 H new ATOM 1053 N ARG A 429 -1.259 -5.095 -3.163 1.00 0.54 N ATOM 1054 CA ARG A 429 -1.349 -5.576 -1.776 1.00 0.54 C ATOM 1055 C ARG A 429 0.010 -5.582 -1.062 1.00 0.49 C ATOM 1056 O ARG A 429 0.112 -5.143 0.083 1.00 0.53 O ATOM 1057 CB ARG A 429 -1.986 -6.978 -1.749 1.00 0.68 C ATOM 1058 CG ARG A 429 -1.469 -7.899 -0.649 1.00 0.83 C ATOM 1059 CD ARG A 429 -1.844 -7.404 0.738 1.00 0.85 C ATOM 1060 NE ARG A 429 -1.367 -8.309 1.779 1.00 1.20 N ATOM 1061 CZ ARG A 429 -1.497 -8.073 3.079 1.00 1.26 C ATOM 1062 NH1 ARG A 429 -2.074 -6.956 3.496 1.00 1.73 N ATOM 1063 NH2 ARG A 429 -1.045 -8.951 3.964 1.00 1.65 N ATOM 0 H ARG A 429 -1.658 -4.168 -3.309 1.00 0.54 H new ATOM 0 HA ARG A 429 -1.982 -4.878 -1.229 1.00 0.54 H new ATOM 0 HB2 ARG A 429 -3.064 -6.869 -1.634 1.00 0.68 H new ATOM 0 HB3 ARG A 429 -1.815 -7.457 -2.713 1.00 0.68 H new ATOM 0 HG2 ARG A 429 -1.873 -8.901 -0.797 1.00 0.83 H new ATOM 0 HG3 ARG A 429 -0.384 -7.978 -0.724 1.00 0.83 H new ATOM 0 HD2 ARG A 429 -1.422 -6.411 0.897 1.00 0.85 H new ATOM 0 HD3 ARG A 429 -2.927 -7.305 0.809 1.00 0.85 H new ATOM 0 HE ARG A 429 -0.907 -9.173 1.491 1.00 1.20 H new ATOM 0 HH11 ARG A 429 -2.419 -6.276 2.818 1.00 1.73 H new ATOM 0 HH12 ARG A 429 -2.173 -6.776 4.495 1.00 1.73 H new ATOM 0 HH21 ARG A 429 -0.596 -9.810 3.647 1.00 1.65 H new ATOM 0 HH22 ARG A 429 -1.146 -8.767 4.962 1.00 1.65 H new ATOM 1077 N HIS A 430 1.045 -6.083 -1.728 1.00 0.49 N ATOM 1078 CA HIS A 430 2.379 -6.148 -1.135 1.00 0.53 C ATOM 1079 C HIS A 430 2.919 -4.757 -0.813 1.00 0.47 C ATOM 1080 O HIS A 430 3.827 -4.609 0.005 1.00 0.49 O ATOM 1081 CB HIS A 430 3.347 -6.876 -2.073 1.00 0.65 C ATOM 1082 CG HIS A 430 3.547 -6.187 -3.389 1.00 0.77 C ATOM 1083 ND1 HIS A 430 2.523 -5.948 -4.278 1.00 1.20 N ATOM 1084 CD2 HIS A 430 4.668 -5.689 -3.965 1.00 1.47 C ATOM 1085 CE1 HIS A 430 3.001 -5.333 -5.345 1.00 1.31 C ATOM 1086 NE2 HIS A 430 4.300 -5.165 -5.180 1.00 1.46 N ATOM 0 H HIS A 430 0.988 -6.450 -2.678 1.00 0.49 H new ATOM 0 HA HIS A 430 2.295 -6.704 -0.201 1.00 0.53 H new ATOM 0 HB2 HIS A 430 4.312 -6.978 -1.576 1.00 0.65 H new ATOM 0 HB3 HIS A 430 2.974 -7.884 -2.254 1.00 0.65 H new ATOM 0 HD2 HIS A 430 5.664 -5.702 -3.547 1.00 1.47 H new ATOM 0 HE1 HIS A 430 2.427 -5.021 -6.205 1.00 1.31 H new ATOM 0 HE2 HIS A 430 4.929 -4.718 -5.847 1.00 1.46 H new ATOM 1095 N ARG A 431 2.374 -3.747 -1.477 1.00 0.43 N ATOM 1096 CA ARG A 431 2.819 -2.371 -1.281 1.00 0.41 C ATOM 1097 C ARG A 431 2.235 -1.750 -0.009 1.00 0.37 C ATOM 1098 O ARG A 431 2.837 -0.846 0.571 1.00 0.57 O ATOM 1099 CB ARG A 431 2.456 -1.531 -2.503 1.00 0.44 C ATOM 1100 CG ARG A 431 2.859 -2.187 -3.816 1.00 0.53 C ATOM 1101 CD ARG A 431 2.465 -1.344 -5.017 1.00 0.64 C ATOM 1102 NE ARG A 431 2.759 -2.021 -6.277 1.00 1.39 N ATOM 1103 CZ ARG A 431 2.506 -1.499 -7.474 1.00 2.05 C ATOM 1104 NH1 ARG A 431 1.974 -0.288 -7.576 1.00 2.55 N ATOM 1105 NH2 ARG A 431 2.791 -2.187 -8.571 1.00 2.84 N ATOM 0 H ARG A 431 1.622 -3.853 -2.158 1.00 0.43 H new ATOM 0 HA ARG A 431 3.902 -2.386 -1.159 1.00 0.41 H new ATOM 0 HB2 ARG A 431 1.381 -1.352 -2.508 1.00 0.44 H new ATOM 0 HB3 ARG A 431 2.941 -0.558 -2.425 1.00 0.44 H new ATOM 0 HG2 ARG A 431 3.937 -2.349 -3.825 1.00 0.53 H new ATOM 0 HG3 ARG A 431 2.389 -3.167 -3.891 1.00 0.53 H new ATOM 0 HD2 ARG A 431 1.400 -1.116 -4.967 1.00 0.64 H new ATOM 0 HD3 ARG A 431 2.996 -0.393 -4.983 1.00 0.64 H new ATOM 0 HE ARG A 431 3.183 -2.948 -6.237 1.00 1.39 H new ATOM 0 HH11 ARG A 431 1.757 0.246 -6.735 1.00 2.55 H new ATOM 0 HH12 ARG A 431 1.782 0.109 -8.496 1.00 2.55 H new ATOM 0 HH21 ARG A 431 3.204 -3.117 -8.497 1.00 2.84 H new ATOM 0 HH22 ARG A 431 2.597 -1.787 -9.489 1.00 2.84 H new ATOM 1119 N ILE A 432 1.067 -2.225 0.425 1.00 0.39 N ATOM 1120 CA ILE A 432 0.437 -1.687 1.633 1.00 0.36 C ATOM 1121 C ILE A 432 0.919 -2.418 2.879 1.00 0.38 C ATOM 1122 O ILE A 432 1.021 -3.645 2.894 1.00 0.44 O ATOM 1123 CB ILE A 432 -1.105 -1.775 1.581 1.00 0.38 C ATOM 1124 CG1 ILE A 432 -1.638 -1.060 0.342 1.00 0.40 C ATOM 1125 CG2 ILE A 432 -1.709 -1.173 2.843 1.00 0.42 C ATOM 1126 CD1 ILE A 432 -3.125 -1.250 0.134 1.00 0.46 C ATOM 0 H ILE A 432 0.543 -2.971 -0.034 1.00 0.39 H new ATOM 0 HA ILE A 432 0.729 -0.638 1.680 1.00 0.36 H new ATOM 0 HB ILE A 432 -1.393 -2.825 1.523 1.00 0.38 H new ATOM 0 HG12 ILE A 432 -1.423 0.005 0.425 1.00 0.40 H new ATOM 0 HG13 ILE A 432 -1.106 -1.425 -0.537 1.00 0.40 H new ATOM 0 HG21 ILE A 432 -2.796 -1.241 2.794 1.00 0.42 H new ATOM 0 HG22 ILE A 432 -1.350 -1.720 3.715 1.00 0.42 H new ATOM 0 HG23 ILE A 432 -1.414 -0.127 2.924 1.00 0.42 H new ATOM 0 HD11 ILE A 432 -3.438 -0.716 -0.763 1.00 0.46 H new ATOM 0 HD12 ILE A 432 -3.344 -2.312 0.019 1.00 0.46 H new ATOM 0 HD13 ILE A 432 -3.666 -0.859 0.996 1.00 0.46 H new ATOM 1138 N SER A 433 1.205 -1.652 3.928 1.00 0.34 N ATOM 1139 CA SER A 433 1.669 -2.216 5.190 1.00 0.38 C ATOM 1140 C SER A 433 1.445 -1.232 6.332 1.00 0.36 C ATOM 1141 O SER A 433 1.669 -0.030 6.181 1.00 0.34 O ATOM 1142 CB SER A 433 3.154 -2.578 5.100 1.00 0.41 C ATOM 1143 OG SER A 433 3.388 -3.540 4.086 1.00 0.53 O ATOM 0 H SER A 433 1.123 -0.635 3.928 1.00 0.34 H new ATOM 0 HA SER A 433 1.095 -3.121 5.389 1.00 0.38 H new ATOM 0 HB2 SER A 433 3.738 -1.681 4.895 1.00 0.41 H new ATOM 0 HB3 SER A 433 3.495 -2.967 6.059 1.00 0.41 H new ATOM 0 HG SER A 433 2.531 -3.872 3.746 1.00 0.53 H new ATOM 1149 N ASP A 434 0.999 -1.746 7.474 1.00 0.43 N ATOM 1150 CA ASP A 434 0.744 -0.909 8.641 1.00 0.48 C ATOM 1151 C ASP A 434 2.048 -0.412 9.257 1.00 0.48 C ATOM 1152 O ASP A 434 2.083 0.643 9.889 1.00 0.74 O ATOM 1153 CB ASP A 434 -0.076 -1.681 9.677 1.00 0.60 C ATOM 1154 CG ASP A 434 0.542 -3.019 10.028 1.00 0.83 C ATOM 1155 OD1 ASP A 434 1.693 -3.034 10.512 1.00 1.35 O ATOM 1156 OD2 ASP A 434 -0.125 -4.052 9.819 1.00 1.12 O ATOM 0 H ASP A 434 0.807 -2.738 7.616 1.00 0.43 H new ATOM 0 HA ASP A 434 0.173 -0.039 8.316 1.00 0.48 H new ATOM 0 HB2 ASP A 434 -0.171 -1.080 10.581 1.00 0.60 H new ATOM 0 HB3 ASP A 434 -1.084 -1.840 9.293 1.00 0.60 H new ATOM 1161 N ASN A 435 3.121 -1.172 9.059 1.00 0.43 N ATOM 1162 CA ASN A 435 4.429 -0.797 9.585 1.00 0.47 C ATOM 1163 C ASN A 435 5.390 -0.463 8.452 1.00 0.39 C ATOM 1164 O ASN A 435 5.525 -1.224 7.493 1.00 0.38 O ATOM 1165 CB ASN A 435 5.016 -1.920 10.445 1.00 0.59 C ATOM 1166 CG ASN A 435 4.219 -2.165 11.712 1.00 1.26 C ATOM 1167 OD1 ASN A 435 3.977 -1.245 12.493 1.00 2.16 O ATOM 1168 ND2 ASN A 435 3.819 -3.412 11.929 1.00 1.81 N ATOM 0 H ASN A 435 3.111 -2.050 8.539 1.00 0.43 H new ATOM 0 HA ASN A 435 4.294 0.087 10.208 1.00 0.47 H new ATOM 0 HB2 ASN A 435 5.052 -2.839 9.860 1.00 0.59 H new ATOM 0 HB3 ASN A 435 6.043 -1.670 10.710 1.00 0.59 H new ATOM 0 HD21 ASN A 435 3.289 -3.638 12.770 1.00 1.81 H new ATOM 0 HD22 ASN A 435 4.042 -4.144 11.254 1.00 1.81 H new ATOM 1175 N ALA A 436 6.055 0.679 8.569 1.00 0.49 N ATOM 1176 CA ALA A 436 7.006 1.119 7.558 1.00 0.55 C ATOM 1177 C ALA A 436 8.222 0.202 7.510 1.00 0.55 C ATOM 1178 O ALA A 436 8.818 0.003 6.451 1.00 0.54 O ATOM 1179 CB ALA A 436 7.434 2.551 7.826 1.00 0.75 C ATOM 0 H ALA A 436 5.952 1.319 9.357 1.00 0.49 H new ATOM 0 HA ALA A 436 6.512 1.074 6.587 1.00 0.55 H new ATOM 0 HB1 ALA A 436 8.145 2.867 7.063 1.00 0.75 H new ATOM 0 HB2 ALA A 436 6.561 3.203 7.801 1.00 0.75 H new ATOM 0 HB3 ALA A 436 7.904 2.613 8.807 1.00 0.75 H new ATOM 1185 N ASP A 437 8.592 -0.346 8.666 1.00 0.65 N ATOM 1186 CA ASP A 437 9.744 -1.238 8.757 1.00 0.75 C ATOM 1187 C ASP A 437 9.651 -2.350 7.717 1.00 0.71 C ATOM 1188 O ASP A 437 10.646 -2.705 7.083 1.00 0.78 O ATOM 1189 CB ASP A 437 9.841 -1.841 10.160 1.00 0.92 C ATOM 1190 CG ASP A 437 9.988 -0.781 11.235 1.00 1.02 C ATOM 1191 OD1 ASP A 437 10.980 -0.024 11.191 1.00 1.34 O ATOM 1192 OD2 ASP A 437 9.110 -0.709 12.121 1.00 1.34 O ATOM 0 H ASP A 437 8.111 -0.188 9.551 1.00 0.65 H new ATOM 0 HA ASP A 437 10.642 -0.653 8.560 1.00 0.75 H new ATOM 0 HB2 ASP A 437 8.950 -2.436 10.359 1.00 0.92 H new ATOM 0 HB3 ASP A 437 10.693 -2.519 10.203 1.00 0.92 H new ATOM 1197 N ASP A 438 8.447 -2.884 7.535 1.00 0.68 N ATOM 1198 CA ASP A 438 8.220 -3.941 6.559 1.00 0.73 C ATOM 1199 C ASP A 438 8.396 -3.397 5.147 1.00 0.73 C ATOM 1200 O ASP A 438 8.935 -4.069 4.268 1.00 1.35 O ATOM 1201 CB ASP A 438 6.817 -4.530 6.725 1.00 0.88 C ATOM 1202 CG ASP A 438 6.596 -5.118 8.105 1.00 1.08 C ATOM 1203 OD1 ASP A 438 6.704 -4.366 9.096 1.00 1.56 O ATOM 1204 OD2 ASP A 438 6.314 -6.331 8.194 1.00 1.36 O ATOM 0 H ASP A 438 7.614 -2.601 8.051 1.00 0.68 H new ATOM 0 HA ASP A 438 8.951 -4.732 6.727 1.00 0.73 H new ATOM 0 HB2 ASP A 438 6.076 -3.752 6.541 1.00 0.88 H new ATOM 0 HB3 ASP A 438 6.660 -5.304 5.974 1.00 0.88 H new ATOM 1209 N LEU A 439 7.933 -2.167 4.945 1.00 0.54 N ATOM 1210 CA LEU A 439 8.026 -1.502 3.651 1.00 0.53 C ATOM 1211 C LEU A 439 9.487 -1.316 3.226 1.00 0.61 C ATOM 1212 O LEU A 439 10.084 -2.208 2.624 1.00 0.86 O ATOM 1213 CB LEU A 439 7.309 -0.149 3.712 1.00 0.52 C ATOM 1214 CG LEU A 439 5.797 -0.219 3.922 1.00 0.63 C ATOM 1215 CD1 LEU A 439 5.257 1.146 4.303 1.00 1.12 C ATOM 1216 CD2 LEU A 439 5.103 -0.722 2.669 1.00 1.10 C ATOM 0 H LEU A 439 7.485 -1.606 5.670 1.00 0.54 H new ATOM 0 HA LEU A 439 7.542 -2.131 2.904 1.00 0.53 H new ATOM 0 HB2 LEU A 439 7.745 0.438 4.521 1.00 0.52 H new ATOM 0 HB3 LEU A 439 7.506 0.390 2.785 1.00 0.52 H new ATOM 0 HG LEU A 439 5.596 -0.919 4.733 1.00 0.63 H new ATOM 0 HD11 LEU A 439 4.179 1.083 4.450 1.00 1.12 H new ATOM 0 HD12 LEU A 439 5.730 1.480 5.227 1.00 1.12 H new ATOM 0 HD13 LEU A 439 5.474 1.858 3.507 1.00 1.12 H new ATOM 0 HD21 LEU A 439 4.027 -0.764 2.841 1.00 1.10 H new ATOM 0 HD22 LEU A 439 5.312 -0.045 1.841 1.00 1.10 H new ATOM 0 HD23 LEU A 439 5.471 -1.719 2.425 1.00 1.10 H new ATOM 1228 N GLY A 440 10.053 -0.150 3.538 1.00 0.59 N ATOM 1229 CA GLY A 440 11.429 0.136 3.177 1.00 0.77 C ATOM 1230 C GLY A 440 11.964 1.353 3.905 1.00 0.96 C ATOM 1231 O GLY A 440 12.680 2.169 3.323 1.00 1.36 O ATOM 0 H GLY A 440 9.578 0.603 4.036 1.00 0.59 H new ATOM 0 HA2 GLY A 440 12.052 -0.728 3.408 1.00 0.77 H new ATOM 0 HA3 GLY A 440 11.496 0.298 2.101 1.00 0.77 H new ATOM 1235 N GLY A 441 11.607 1.477 5.181 1.00 0.93 N ATOM 1236 CA GLY A 441 12.051 2.609 5.976 1.00 1.24 C ATOM 1237 C GLY A 441 11.437 3.913 5.507 1.00 1.14 C ATOM 1238 O GLY A 441 11.451 4.218 4.314 1.00 1.83 O ATOM 0 H GLY A 441 11.016 0.811 5.679 1.00 0.93 H new ATOM 0 HA2 GLY A 441 11.790 2.442 7.021 1.00 1.24 H new ATOM 0 HA3 GLY A 441 13.137 2.682 5.926 1.00 1.24 H new ATOM 1242 N ILE A 442 10.894 4.690 6.443 1.00 1.10 N ATOM 1243 CA ILE A 442 10.274 5.964 6.098 1.00 1.03 C ATOM 1244 C ILE A 442 11.281 6.872 5.408 1.00 1.05 C ATOM 1245 O ILE A 442 12.262 7.299 6.017 1.00 1.39 O ATOM 1246 CB ILE A 442 9.716 6.705 7.336 1.00 1.26 C ATOM 1247 CG1 ILE A 442 8.703 5.839 8.087 1.00 1.41 C ATOM 1248 CG2 ILE A 442 9.075 8.021 6.922 1.00 1.38 C ATOM 1249 CD1 ILE A 442 9.328 4.918 9.112 1.00 1.48 C ATOM 0 H ILE A 442 10.872 4.461 7.437 1.00 1.10 H new ATOM 0 HA ILE A 442 9.443 5.733 5.431 1.00 1.03 H new ATOM 0 HB ILE A 442 10.550 6.913 8.007 1.00 1.26 H new ATOM 0 HG12 ILE A 442 7.984 6.488 8.586 1.00 1.41 H new ATOM 0 HG13 ILE A 442 8.146 5.240 7.366 1.00 1.41 H new ATOM 0 HG21 ILE A 442 8.687 8.530 7.804 1.00 1.38 H new ATOM 0 HG22 ILE A 442 9.820 8.652 6.437 1.00 1.38 H new ATOM 0 HG23 ILE A 442 8.258 7.825 6.228 1.00 1.38 H new ATOM 0 HD11 ILE A 442 8.547 4.337 9.603 1.00 1.48 H new ATOM 0 HD12 ILE A 442 10.026 4.243 8.617 1.00 1.48 H new ATOM 0 HD13 ILE A 442 9.861 5.510 9.856 1.00 1.48 H new