USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 609 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 826 THR OG1 : rot 66:sc= 0.0241 USER MOD Set 1.2: A 853 GLN : amide:sc= -1.26 K(o=-1.2,f=-4.8!) USER MOD Set 2.1: A 821 CYS SG : rot 71:sc= -0.366 USER MOD Set 2.2: A 861 MET CE :methyl -125:sc= -3.35! (180deg=-3.97!) USER MOD Single : A 801 HIS : no HE2:sc= -2.13 K(o=-2.1,f=-4.1!) USER MOD Single : A 802 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 806 SER OG : rot 180:sc= -0.533 USER MOD Single : A 811 SER OG : rot 180:sc= 0 USER MOD Single : A 812 CYS SG : rot 180:sc=-0.00746 USER MOD Single : A 813 THR OG1 : rot 180:sc= -0.374 USER MOD Single : A 814 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 822 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 824 HIS : no HD1:sc= -0.0337 X(o=-0.034,f=-0.0076) USER MOD Single : A 828 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.00995) USER MOD Single : A 834 THR OG1 : rot 180:sc= 0 USER MOD Single : A 835 ASN : amide:sc= -0.636 K(o=-0.64,f=-13!) USER MOD Single : A 839 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 841 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 845 TYR OH : rot 180:sc= 0 USER MOD Single : A 848 TYR OH : rot -127:sc= 1.13 USER MOD Single : A 850 ASN : amide:sc= -0.403 X(o=-0.4,f=-0.56) USER MOD Single : A 852 SER OG : rot 180:sc= 0 USER MOD Single : A 855 SER OG : rot 180:sc= 0 USER MOD Single : A 856 GLN : amide:sc= -0.371 X(o=-0.37,f=-0.19) USER MOD Single : A 859 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 860 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 864 MET CE :methyl -148:sc= -1.14 (180deg=-3.12!) USER MOD Single : A 865 THR OG1 : rot 180:sc= 0 USER MOD Single : A 867 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 869 ASN : amide:sc= -0.0361 K(o=-0.036,f=-1.6) USER MOD Single : A 872 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 876 SER OG : rot 150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 239 N HIS A 801 0.228 0.300 -8.885 1.00 0.00 N ATOM 240 CA HIS A 801 -0.971 0.912 -8.322 1.00 0.00 C ATOM 241 C HIS A 801 -1.092 0.599 -6.834 1.00 0.00 C ATOM 242 O HIS A 801 -1.378 1.481 -6.024 1.00 0.00 O ATOM 243 CB HIS A 801 -2.215 0.420 -9.062 1.00 0.00 C ATOM 244 CG HIS A 801 -2.398 -1.066 -9.006 1.00 0.00 C ATOM 245 ND1 HIS A 801 -1.463 -1.957 -9.488 1.00 0.00 N ATOM 246 CD2 HIS A 801 -3.414 -1.815 -8.518 1.00 0.00 C ATOM 247 CE1 HIS A 801 -1.897 -3.191 -9.301 1.00 0.00 C ATOM 248 NE2 HIS A 801 -3.079 -3.132 -8.714 1.00 0.00 N ATOM 0 HA HIS A 801 -0.890 1.992 -8.443 1.00 0.00 H new ATOM 0 HB2 HIS A 801 -3.095 0.902 -8.637 1.00 0.00 H new ATOM 0 HB3 HIS A 801 -2.154 0.731 -10.105 1.00 0.00 H new ATOM 0 HD1 HIS A 801 -0.575 -1.703 -9.921 1.00 0.00 H new ATOM 0 HD2 HIS A 801 -4.320 -1.446 -8.060 1.00 0.00 H new ATOM 0 HE1 HIS A 801 -1.374 -4.094 -9.580 1.00 0.00 H new ATOM 256 N LYS A 802 -0.875 -0.663 -6.480 1.00 0.00 N ATOM 257 CA LYS A 802 -0.960 -1.094 -5.089 1.00 0.00 C ATOM 258 C LYS A 802 0.117 -0.420 -4.245 1.00 0.00 C ATOM 259 O LYS A 802 1.201 -0.106 -4.737 1.00 0.00 O ATOM 260 CB LYS A 802 -0.819 -2.615 -4.995 1.00 0.00 C ATOM 261 CG LYS A 802 -2.063 -3.369 -5.433 1.00 0.00 C ATOM 262 CD LYS A 802 -1.946 -4.856 -5.141 1.00 0.00 C ATOM 263 CE LYS A 802 -3.287 -5.559 -5.281 1.00 0.00 C ATOM 264 NZ LYS A 802 -3.242 -6.950 -4.751 1.00 0.00 N ATOM 0 H LYS A 802 -0.639 -1.406 -7.138 1.00 0.00 H new ATOM 0 HA LYS A 802 -1.936 -0.802 -4.703 1.00 0.00 H new ATOM 0 HB2 LYS A 802 0.023 -2.932 -5.610 1.00 0.00 H new ATOM 0 HB3 LYS A 802 -0.583 -2.887 -3.966 1.00 0.00 H new ATOM 0 HG2 LYS A 802 -2.935 -2.964 -4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 802 -2.224 -3.218 -6.501 1.00 0.00 H new ATOM 0 HD2 LYS A 802 -1.225 -5.306 -5.823 1.00 0.00 H new ATOM 0 HD3 LYS A 802 -1.562 -5.000 -4.131 1.00 0.00 H new ATOM 0 HE2 LYS A 802 -4.051 -4.992 -4.749 1.00 0.00 H new ATOM 0 HE3 LYS A 802 -3.578 -5.580 -6.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 802 -4.175 -7.395 -4.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 802 -2.531 -7.498 -5.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 802 -2.989 -6.929 -3.742 1.00 0.00 H new ATOM 278 N LEU A 803 -0.188 -0.202 -2.970 1.00 0.00 N ATOM 279 CA LEU A 803 0.754 0.433 -2.056 1.00 0.00 C ATOM 280 C LEU A 803 0.975 -0.427 -0.816 1.00 0.00 C ATOM 281 O LEU A 803 0.124 -1.240 -0.452 1.00 0.00 O ATOM 282 CB LEU A 803 0.245 1.816 -1.646 1.00 0.00 C ATOM 283 CG LEU A 803 -0.410 2.645 -2.752 1.00 0.00 C ATOM 284 CD1 LEU A 803 -1.265 3.752 -2.155 1.00 0.00 C ATOM 285 CD2 LEU A 803 0.648 3.227 -3.679 1.00 0.00 C ATOM 0 H LEU A 803 -1.080 -0.456 -2.546 1.00 0.00 H new ATOM 0 HA LEU A 803 1.706 0.542 -2.575 1.00 0.00 H new ATOM 0 HB2 LEU A 803 -0.476 1.691 -0.838 1.00 0.00 H new ATOM 0 HB3 LEU A 803 1.083 2.384 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 803 -1.057 1.990 -3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 803 -1.723 4.331 -2.957 1.00 0.00 H new ATOM 0 HD12 LEU A 803 -2.045 3.314 -1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 803 -0.641 4.406 -1.546 1.00 0.00 H new ATOM 0 HD21 LEU A 803 0.164 3.814 -4.460 1.00 0.00 H new ATOM 0 HD22 LEU A 803 1.320 3.867 -3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 803 1.218 2.417 -4.134 1.00 0.00 H new ATOM 297 N PHE A 804 2.121 -0.242 -0.170 1.00 0.00 N ATOM 298 CA PHE A 804 2.453 -1.001 1.031 1.00 0.00 C ATOM 299 C PHE A 804 2.792 -0.067 2.188 1.00 0.00 C ATOM 300 O PHE A 804 3.662 0.796 2.069 1.00 0.00 O ATOM 301 CB PHE A 804 3.630 -1.940 0.757 1.00 0.00 C ATOM 302 CG PHE A 804 4.099 -2.684 1.974 1.00 0.00 C ATOM 303 CD1 PHE A 804 3.448 -3.834 2.393 1.00 0.00 C ATOM 304 CD2 PHE A 804 5.189 -2.234 2.700 1.00 0.00 C ATOM 305 CE1 PHE A 804 3.877 -4.521 3.513 1.00 0.00 C ATOM 306 CE2 PHE A 804 5.623 -2.918 3.821 1.00 0.00 C ATOM 307 CZ PHE A 804 4.965 -4.062 4.228 1.00 0.00 C ATOM 0 H PHE A 804 2.836 0.427 -0.457 1.00 0.00 H new ATOM 0 HA PHE A 804 1.581 -1.593 1.309 1.00 0.00 H new ATOM 0 HB2 PHE A 804 3.340 -2.659 -0.009 1.00 0.00 H new ATOM 0 HB3 PHE A 804 4.460 -1.361 0.353 1.00 0.00 H new ATOM 0 HD1 PHE A 804 2.596 -4.197 1.838 1.00 0.00 H new ATOM 0 HD2 PHE A 804 5.706 -1.339 2.387 1.00 0.00 H new ATOM 0 HE1 PHE A 804 3.361 -5.416 3.828 1.00 0.00 H new ATOM 0 HE2 PHE A 804 6.476 -2.558 4.378 1.00 0.00 H new ATOM 0 HZ PHE A 804 5.301 -4.597 5.104 1.00 0.00 H new ATOM 317 N ILE A 805 2.098 -0.245 3.307 1.00 0.00 N ATOM 318 CA ILE A 805 2.325 0.581 4.486 1.00 0.00 C ATOM 319 C ILE A 805 2.696 -0.274 5.694 1.00 0.00 C ATOM 320 O ILE A 805 2.042 -1.277 5.981 1.00 0.00 O ATOM 321 CB ILE A 805 1.083 1.424 4.831 1.00 0.00 C ATOM 322 CG1 ILE A 805 0.464 2.004 3.557 1.00 0.00 C ATOM 323 CG2 ILE A 805 1.451 2.537 5.801 1.00 0.00 C ATOM 324 CD1 ILE A 805 -0.626 3.018 3.822 1.00 0.00 C ATOM 0 H ILE A 805 1.374 -0.954 3.422 1.00 0.00 H new ATOM 0 HA ILE A 805 3.153 1.249 4.248 1.00 0.00 H new ATOM 0 HB ILE A 805 0.346 0.780 5.310 1.00 0.00 H new ATOM 0 HG12 ILE A 805 1.248 2.473 2.963 1.00 0.00 H new ATOM 0 HG13 ILE A 805 0.054 1.190 2.959 1.00 0.00 H new ATOM 0 HG21 ILE A 805 0.563 3.124 6.035 1.00 0.00 H new ATOM 0 HG22 ILE A 805 1.851 2.103 6.717 1.00 0.00 H new ATOM 0 HG23 ILE A 805 2.203 3.182 5.346 1.00 0.00 H new ATOM 0 HD11 ILE A 805 -1.019 3.386 2.874 1.00 0.00 H new ATOM 0 HD12 ILE A 805 -1.429 2.549 4.390 1.00 0.00 H new ATOM 0 HD13 ILE A 805 -0.217 3.851 4.393 1.00 0.00 H new ATOM 336 N SER A 806 3.747 0.131 6.398 1.00 0.00 N ATOM 337 CA SER A 806 4.207 -0.599 7.574 1.00 0.00 C ATOM 338 C SER A 806 4.332 0.332 8.777 1.00 0.00 C ATOM 339 O SER A 806 4.291 1.553 8.637 1.00 0.00 O ATOM 340 CB SER A 806 5.552 -1.269 7.291 1.00 0.00 C ATOM 341 OG SER A 806 6.230 -1.582 8.496 1.00 0.00 O ATOM 0 H SER A 806 4.297 0.961 6.175 1.00 0.00 H new ATOM 0 HA SER A 806 3.469 -1.367 7.806 1.00 0.00 H new ATOM 0 HB2 SER A 806 5.394 -2.179 6.712 1.00 0.00 H new ATOM 0 HB3 SER A 806 6.170 -0.608 6.683 1.00 0.00 H new ATOM 0 HG SER A 806 7.086 -2.011 8.288 1.00 0.00 H new ATOM 347 N GLY A 807 4.485 -0.257 9.959 1.00 0.00 N ATOM 348 CA GLY A 807 4.614 0.533 11.170 1.00 0.00 C ATOM 349 C GLY A 807 3.321 1.227 11.549 1.00 0.00 C ATOM 350 O GLY A 807 3.329 2.383 11.975 1.00 0.00 O ATOM 0 H GLY A 807 4.522 -1.267 10.100 1.00 0.00 H new ATOM 0 HA2 GLY A 807 4.930 -0.113 11.989 1.00 0.00 H new ATOM 0 HA3 GLY A 807 5.396 1.279 11.032 1.00 0.00 H new ATOM 354 N LEU A 808 2.205 0.522 11.395 1.00 0.00 N ATOM 355 CA LEU A 808 0.897 1.078 11.723 1.00 0.00 C ATOM 356 C LEU A 808 0.457 0.647 13.119 1.00 0.00 C ATOM 357 O LEU A 808 0.691 -0.483 13.549 1.00 0.00 O ATOM 358 CB LEU A 808 -0.140 0.637 10.690 1.00 0.00 C ATOM 359 CG LEU A 808 0.070 1.152 9.266 1.00 0.00 C ATOM 360 CD1 LEU A 808 -0.904 0.484 8.307 1.00 0.00 C ATOM 361 CD2 LEU A 808 -0.085 2.665 9.218 1.00 0.00 C ATOM 0 H LEU A 808 2.180 -0.436 11.045 1.00 0.00 H new ATOM 0 HA LEU A 808 0.977 2.165 11.707 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -0.155 -0.453 10.662 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -1.123 0.961 11.031 1.00 0.00 H new ATOM 0 HG LEU A 808 1.084 0.900 8.955 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -0.739 0.863 7.298 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -0.745 -0.594 8.320 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -1.926 0.704 8.615 1.00 0.00 H new ATOM 0 HD21 LEU A 808 0.068 3.014 8.197 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -1.087 2.939 9.549 1.00 0.00 H new ATOM 0 HD23 LEU A 808 0.653 3.127 9.874 1.00 0.00 H new ATOM 373 N PRO A 809 -0.198 1.566 13.843 1.00 0.00 N ATOM 374 CA PRO A 809 -0.687 1.303 15.200 1.00 0.00 C ATOM 375 C PRO A 809 -1.852 0.319 15.215 1.00 0.00 C ATOM 376 O PRO A 809 -2.895 0.566 14.610 1.00 0.00 O ATOM 377 CB PRO A 809 -1.145 2.681 15.685 1.00 0.00 C ATOM 378 CG PRO A 809 -1.469 3.433 14.440 1.00 0.00 C ATOM 379 CD PRO A 809 -0.512 2.933 13.394 1.00 0.00 C ATOM 0 HA PRO A 809 0.078 0.847 15.828 1.00 0.00 H new ATOM 0 HB2 PRO A 809 -2.015 2.602 16.337 1.00 0.00 H new ATOM 0 HB3 PRO A 809 -0.362 3.180 16.256 1.00 0.00 H new ATOM 0 HG2 PRO A 809 -2.502 3.261 14.138 1.00 0.00 H new ATOM 0 HG3 PRO A 809 -1.356 4.506 14.592 1.00 0.00 H new ATOM 0 HD2 PRO A 809 -0.964 2.936 12.402 1.00 0.00 H new ATOM 0 HD3 PRO A 809 0.383 3.553 13.339 1.00 0.00 H new ATOM 387 N PHE A 810 -1.667 -0.798 15.912 1.00 0.00 N ATOM 388 CA PHE A 810 -2.703 -1.820 16.005 1.00 0.00 C ATOM 389 C PHE A 810 -4.087 -1.185 16.097 1.00 0.00 C ATOM 390 O PHE A 810 -5.061 -1.713 15.559 1.00 0.00 O ATOM 391 CB PHE A 810 -2.458 -2.714 17.223 1.00 0.00 C ATOM 392 CG PHE A 810 -1.009 -3.041 17.445 1.00 0.00 C ATOM 393 CD1 PHE A 810 -0.287 -3.734 16.488 1.00 0.00 C ATOM 394 CD2 PHE A 810 -0.370 -2.654 18.612 1.00 0.00 C ATOM 395 CE1 PHE A 810 1.047 -4.036 16.689 1.00 0.00 C ATOM 396 CE2 PHE A 810 0.964 -2.953 18.819 1.00 0.00 C ATOM 397 CZ PHE A 810 1.673 -3.646 17.857 1.00 0.00 C ATOM 0 H PHE A 810 -0.810 -1.018 16.420 1.00 0.00 H new ATOM 0 HA PHE A 810 -2.661 -2.428 15.101 1.00 0.00 H new ATOM 0 HB2 PHE A 810 -2.851 -2.220 18.111 1.00 0.00 H new ATOM 0 HB3 PHE A 810 -3.017 -3.642 17.101 1.00 0.00 H new ATOM 0 HD1 PHE A 810 -0.772 -4.042 15.574 1.00 0.00 H new ATOM 0 HD2 PHE A 810 -0.920 -2.113 19.368 1.00 0.00 H new ATOM 0 HE1 PHE A 810 1.599 -4.576 15.934 1.00 0.00 H new ATOM 0 HE2 PHE A 810 1.451 -2.645 19.732 1.00 0.00 H new ATOM 0 HZ PHE A 810 2.714 -3.882 18.018 1.00 0.00 H new ATOM 407 N SER A 811 -4.167 -0.049 16.782 1.00 0.00 N ATOM 408 CA SER A 811 -5.432 0.657 16.948 1.00 0.00 C ATOM 409 C SER A 811 -6.093 0.912 15.597 1.00 0.00 C ATOM 410 O SER A 811 -7.262 0.580 15.393 1.00 0.00 O ATOM 411 CB SER A 811 -5.208 1.983 17.677 1.00 0.00 C ATOM 412 OG SER A 811 -5.271 1.810 19.082 1.00 0.00 O ATOM 0 H SER A 811 -3.370 0.402 17.231 1.00 0.00 H new ATOM 0 HA SER A 811 -6.094 0.030 17.545 1.00 0.00 H new ATOM 0 HB2 SER A 811 -4.237 2.393 17.401 1.00 0.00 H new ATOM 0 HB3 SER A 811 -5.961 2.706 17.362 1.00 0.00 H new ATOM 0 HG SER A 811 -5.123 2.672 19.525 1.00 0.00 H new ATOM 418 N CYS A 812 -5.338 1.503 14.678 1.00 0.00 N ATOM 419 CA CYS A 812 -5.850 1.803 13.345 1.00 0.00 C ATOM 420 C CYS A 812 -6.675 0.640 12.805 1.00 0.00 C ATOM 421 O CYS A 812 -6.467 -0.513 13.184 1.00 0.00 O ATOM 422 CB CYS A 812 -4.696 2.113 12.391 1.00 0.00 C ATOM 423 SG CYS A 812 -5.196 2.985 10.888 1.00 0.00 S ATOM 0 H CYS A 812 -4.369 1.784 14.831 1.00 0.00 H new ATOM 0 HA CYS A 812 -6.495 2.678 13.419 1.00 0.00 H new ATOM 0 HB2 CYS A 812 -3.955 2.714 12.918 1.00 0.00 H new ATOM 0 HB3 CYS A 812 -4.209 1.179 12.111 1.00 0.00 H new ATOM 0 HG CYS A 812 -4.151 3.205 10.146 1.00 0.00 H new ATOM 429 N THR A 813 -7.615 0.950 11.917 1.00 0.00 N ATOM 430 CA THR A 813 -8.474 -0.068 11.326 1.00 0.00 C ATOM 431 C THR A 813 -8.689 0.189 9.839 1.00 0.00 C ATOM 432 O THR A 813 -8.411 1.280 9.340 1.00 0.00 O ATOM 433 CB THR A 813 -9.844 -0.125 12.029 1.00 0.00 C ATOM 434 OG1 THR A 813 -10.719 -1.013 11.325 1.00 0.00 O ATOM 435 CG2 THR A 813 -10.470 1.259 12.106 1.00 0.00 C ATOM 0 H THR A 813 -7.800 1.899 11.591 1.00 0.00 H new ATOM 0 HA THR A 813 -7.967 -1.024 11.457 1.00 0.00 H new ATOM 0 HB THR A 813 -9.693 -0.494 13.043 1.00 0.00 H new ATOM 0 HG1 THR A 813 -11.587 -1.045 11.779 1.00 0.00 H new ATOM 0 HG21 THR A 813 -11.436 1.194 12.606 1.00 0.00 H new ATOM 0 HG22 THR A 813 -9.814 1.924 12.668 1.00 0.00 H new ATOM 0 HG23 THR A 813 -10.608 1.652 11.099 1.00 0.00 H new ATOM 443 N LYS A 814 -9.188 -0.821 9.135 1.00 0.00 N ATOM 444 CA LYS A 814 -9.443 -0.704 7.704 1.00 0.00 C ATOM 445 C LYS A 814 -10.170 0.598 7.385 1.00 0.00 C ATOM 446 O LYS A 814 -9.706 1.395 6.570 1.00 0.00 O ATOM 447 CB LYS A 814 -10.270 -1.895 7.213 1.00 0.00 C ATOM 448 CG LYS A 814 -10.222 -2.090 5.708 1.00 0.00 C ATOM 449 CD LYS A 814 -11.319 -1.306 5.008 1.00 0.00 C ATOM 450 CE LYS A 814 -11.673 -1.922 3.663 1.00 0.00 C ATOM 451 NZ LYS A 814 -12.294 -0.928 2.745 1.00 0.00 N ATOM 0 H LYS A 814 -9.424 -1.730 9.532 1.00 0.00 H new ATOM 0 HA LYS A 814 -8.482 -0.699 7.189 1.00 0.00 H new ATOM 0 HB2 LYS A 814 -9.910 -2.802 7.700 1.00 0.00 H new ATOM 0 HB3 LYS A 814 -11.307 -1.758 7.520 1.00 0.00 H new ATOM 0 HG2 LYS A 814 -9.250 -1.773 5.330 1.00 0.00 H new ATOM 0 HG3 LYS A 814 -10.325 -3.150 5.474 1.00 0.00 H new ATOM 0 HD2 LYS A 814 -12.206 -1.276 5.640 1.00 0.00 H new ATOM 0 HD3 LYS A 814 -10.995 -0.275 4.863 1.00 0.00 H new ATOM 0 HE2 LYS A 814 -10.773 -2.330 3.202 1.00 0.00 H new ATOM 0 HE3 LYS A 814 -12.359 -2.755 3.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 814 -12.521 -1.386 1.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 814 -13.166 -0.557 3.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 814 -11.629 -0.145 2.580 1.00 0.00 H new ATOM 465 N GLU A 815 -11.311 0.809 8.035 1.00 0.00 N ATOM 466 CA GLU A 815 -12.100 2.016 7.820 1.00 0.00 C ATOM 467 C GLU A 815 -11.213 3.257 7.842 1.00 0.00 C ATOM 468 O GLU A 815 -11.175 4.022 6.879 1.00 0.00 O ATOM 469 CB GLU A 815 -13.191 2.135 8.887 1.00 0.00 C ATOM 470 CG GLU A 815 -14.310 1.120 8.729 1.00 0.00 C ATOM 471 CD GLU A 815 -15.394 1.591 7.778 1.00 0.00 C ATOM 472 OE1 GLU A 815 -15.258 1.357 6.559 1.00 0.00 O ATOM 473 OE2 GLU A 815 -16.380 2.193 8.255 1.00 0.00 O ATOM 0 H GLU A 815 -11.709 0.160 8.714 1.00 0.00 H new ATOM 0 HA GLU A 815 -12.568 1.944 6.838 1.00 0.00 H new ATOM 0 HB2 GLU A 815 -12.739 2.015 9.872 1.00 0.00 H new ATOM 0 HB3 GLU A 815 -13.615 3.139 8.851 1.00 0.00 H new ATOM 0 HG2 GLU A 815 -13.895 0.181 8.364 1.00 0.00 H new ATOM 0 HG3 GLU A 815 -14.751 0.916 9.705 1.00 0.00 H new ATOM 480 N GLU A 816 -10.502 3.449 8.949 1.00 0.00 N ATOM 481 CA GLU A 816 -9.617 4.598 9.097 1.00 0.00 C ATOM 482 C GLU A 816 -8.737 4.770 7.863 1.00 0.00 C ATOM 483 O GLU A 816 -8.773 5.808 7.200 1.00 0.00 O ATOM 484 CB GLU A 816 -8.741 4.438 10.342 1.00 0.00 C ATOM 485 CG GLU A 816 -9.455 4.788 11.637 1.00 0.00 C ATOM 486 CD GLU A 816 -8.540 4.723 12.844 1.00 0.00 C ATOM 487 OE1 GLU A 816 -7.759 5.677 13.048 1.00 0.00 O ATOM 488 OE2 GLU A 816 -8.603 3.720 13.584 1.00 0.00 O ATOM 0 H GLU A 816 -10.522 2.824 9.755 1.00 0.00 H new ATOM 0 HA GLU A 816 -10.236 5.488 9.208 1.00 0.00 H new ATOM 0 HB2 GLU A 816 -8.388 3.408 10.398 1.00 0.00 H new ATOM 0 HB3 GLU A 816 -7.860 5.071 10.240 1.00 0.00 H new ATOM 0 HG2 GLU A 816 -9.874 5.791 11.557 1.00 0.00 H new ATOM 0 HG3 GLU A 816 -10.291 4.104 11.783 1.00 0.00 H new ATOM 495 N LEU A 817 -7.947 3.746 7.559 1.00 0.00 N ATOM 496 CA LEU A 817 -7.056 3.783 6.404 1.00 0.00 C ATOM 497 C LEU A 817 -7.830 4.106 5.130 1.00 0.00 C ATOM 498 O LEU A 817 -7.344 4.834 4.266 1.00 0.00 O ATOM 499 CB LEU A 817 -6.334 2.443 6.250 1.00 0.00 C ATOM 500 CG LEU A 817 -5.035 2.470 5.444 1.00 0.00 C ATOM 501 CD1 LEU A 817 -4.054 3.465 6.046 1.00 0.00 C ATOM 502 CD2 LEU A 817 -4.417 1.081 5.380 1.00 0.00 C ATOM 0 H LEU A 817 -7.905 2.880 8.096 1.00 0.00 H new ATOM 0 HA LEU A 817 -6.319 4.569 6.569 1.00 0.00 H new ATOM 0 HB2 LEU A 817 -6.113 2.056 7.245 1.00 0.00 H new ATOM 0 HB3 LEU A 817 -7.017 1.737 5.777 1.00 0.00 H new ATOM 0 HG LEU A 817 -5.267 2.789 4.428 1.00 0.00 H new ATOM 0 HD11 LEU A 817 -3.135 3.471 5.459 1.00 0.00 H new ATOM 0 HD12 LEU A 817 -4.496 4.461 6.038 1.00 0.00 H new ATOM 0 HD13 LEU A 817 -3.827 3.177 7.072 1.00 0.00 H new ATOM 0 HD21 LEU A 817 -3.493 1.120 4.802 1.00 0.00 H new ATOM 0 HD22 LEU A 817 -4.199 0.733 6.390 1.00 0.00 H new ATOM 0 HD23 LEU A 817 -5.115 0.394 4.902 1.00 0.00 H new ATOM 514 N GLU A 818 -9.037 3.561 5.023 1.00 0.00 N ATOM 515 CA GLU A 818 -9.879 3.793 3.855 1.00 0.00 C ATOM 516 C GLU A 818 -10.163 5.281 3.676 1.00 0.00 C ATOM 517 O GLU A 818 -9.819 5.871 2.652 1.00 0.00 O ATOM 518 CB GLU A 818 -11.194 3.023 3.985 1.00 0.00 C ATOM 519 CG GLU A 818 -12.097 3.150 2.769 1.00 0.00 C ATOM 520 CD GLU A 818 -13.567 3.025 3.118 1.00 0.00 C ATOM 521 OE1 GLU A 818 -13.957 1.978 3.675 1.00 0.00 O ATOM 522 OE2 GLU A 818 -14.327 3.975 2.835 1.00 0.00 O ATOM 0 H GLU A 818 -9.454 2.956 5.730 1.00 0.00 H new ATOM 0 HA GLU A 818 -9.343 3.435 2.976 1.00 0.00 H new ATOM 0 HB2 GLU A 818 -10.973 1.969 4.154 1.00 0.00 H new ATOM 0 HB3 GLU A 818 -11.730 3.382 4.864 1.00 0.00 H new ATOM 0 HG2 GLU A 818 -11.922 4.113 2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 818 -11.833 2.381 2.043 1.00 0.00 H new ATOM 529 N GLU A 819 -10.794 5.882 4.681 1.00 0.00 N ATOM 530 CA GLU A 819 -11.127 7.301 4.634 1.00 0.00 C ATOM 531 C GLU A 819 -9.891 8.139 4.320 1.00 0.00 C ATOM 532 O GLU A 819 -9.963 9.114 3.572 1.00 0.00 O ATOM 533 CB GLU A 819 -11.736 7.749 5.964 1.00 0.00 C ATOM 534 CG GLU A 819 -10.901 7.368 7.175 1.00 0.00 C ATOM 535 CD GLU A 819 -11.415 7.992 8.458 1.00 0.00 C ATOM 536 OE1 GLU A 819 -12.648 8.016 8.655 1.00 0.00 O ATOM 537 OE2 GLU A 819 -10.583 8.458 9.265 1.00 0.00 O ATOM 0 H GLU A 819 -11.084 5.408 5.536 1.00 0.00 H new ATOM 0 HA GLU A 819 -11.858 7.451 3.839 1.00 0.00 H new ATOM 0 HB2 GLU A 819 -11.865 8.831 5.948 1.00 0.00 H new ATOM 0 HB3 GLU A 819 -12.729 7.311 6.065 1.00 0.00 H new ATOM 0 HG2 GLU A 819 -10.894 6.283 7.280 1.00 0.00 H new ATOM 0 HG3 GLU A 819 -9.869 7.679 7.012 1.00 0.00 H new ATOM 544 N ILE A 820 -8.758 7.751 4.897 1.00 0.00 N ATOM 545 CA ILE A 820 -7.507 8.466 4.679 1.00 0.00 C ATOM 546 C ILE A 820 -6.989 8.248 3.262 1.00 0.00 C ATOM 547 O ILE A 820 -6.431 9.158 2.647 1.00 0.00 O ATOM 548 CB ILE A 820 -6.425 8.025 5.682 1.00 0.00 C ATOM 549 CG1 ILE A 820 -6.882 8.306 7.115 1.00 0.00 C ATOM 550 CG2 ILE A 820 -5.111 8.735 5.391 1.00 0.00 C ATOM 551 CD1 ILE A 820 -6.033 7.622 8.165 1.00 0.00 C ATOM 0 H ILE A 820 -8.681 6.946 5.519 1.00 0.00 H new ATOM 0 HA ILE A 820 -7.719 9.525 4.827 1.00 0.00 H new ATOM 0 HB ILE A 820 -6.267 6.952 5.574 1.00 0.00 H new ATOM 0 HG12 ILE A 820 -6.864 9.382 7.289 1.00 0.00 H new ATOM 0 HG13 ILE A 820 -7.917 7.982 7.228 1.00 0.00 H new ATOM 0 HG21 ILE A 820 -4.357 8.413 6.109 1.00 0.00 H new ATOM 0 HG22 ILE A 820 -4.780 8.489 4.382 1.00 0.00 H new ATOM 0 HG23 ILE A 820 -5.253 9.812 5.474 1.00 0.00 H new ATOM 0 HD11 ILE A 820 -6.414 7.866 9.157 1.00 0.00 H new ATOM 0 HD12 ILE A 820 -6.070 6.543 8.017 1.00 0.00 H new ATOM 0 HD13 ILE A 820 -5.002 7.964 8.079 1.00 0.00 H new ATOM 563 N CYS A 821 -7.180 7.038 2.748 1.00 0.00 N ATOM 564 CA CYS A 821 -6.733 6.701 1.401 1.00 0.00 C ATOM 565 C CYS A 821 -7.545 7.456 0.353 1.00 0.00 C ATOM 566 O CYS A 821 -6.989 8.157 -0.492 1.00 0.00 O ATOM 567 CB CYS A 821 -6.849 5.194 1.165 1.00 0.00 C ATOM 568 SG CYS A 821 -5.618 4.211 2.054 1.00 0.00 S ATOM 0 H CYS A 821 -7.641 6.275 3.243 1.00 0.00 H new ATOM 0 HA CYS A 821 -5.688 6.997 1.307 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -7.845 4.866 1.463 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -6.755 4.996 0.097 1.00 0.00 H new ATOM 0 HG CYS A 821 -5.894 4.216 3.324 1.00 0.00 H new ATOM 574 N LYS A 822 -8.864 7.306 0.415 1.00 0.00 N ATOM 575 CA LYS A 822 -9.755 7.973 -0.528 1.00 0.00 C ATOM 576 C LYS A 822 -9.556 9.485 -0.488 1.00 0.00 C ATOM 577 O LYS A 822 -10.041 10.207 -1.359 1.00 0.00 O ATOM 578 CB LYS A 822 -11.212 7.630 -0.213 1.00 0.00 C ATOM 579 CG LYS A 822 -11.680 8.143 1.138 1.00 0.00 C ATOM 580 CD LYS A 822 -13.188 8.325 1.174 1.00 0.00 C ATOM 581 CE LYS A 822 -13.594 9.418 2.151 1.00 0.00 C ATOM 582 NZ LYS A 822 -14.975 9.910 1.890 1.00 0.00 N ATOM 0 H LYS A 822 -9.340 6.729 1.108 1.00 0.00 H new ATOM 0 HA LYS A 822 -9.514 7.620 -1.531 1.00 0.00 H new ATOM 0 HB2 LYS A 822 -11.851 8.047 -0.992 1.00 0.00 H new ATOM 0 HB3 LYS A 822 -11.336 6.548 -0.244 1.00 0.00 H new ATOM 0 HG2 LYS A 822 -11.378 7.444 1.918 1.00 0.00 H new ATOM 0 HG3 LYS A 822 -11.193 9.093 1.356 1.00 0.00 H new ATOM 0 HD2 LYS A 822 -13.549 8.575 0.176 1.00 0.00 H new ATOM 0 HD3 LYS A 822 -13.662 7.386 1.459 1.00 0.00 H new ATOM 0 HE2 LYS A 822 -13.531 9.036 3.170 1.00 0.00 H new ATOM 0 HE3 LYS A 822 -12.893 10.249 2.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 822 -15.214 10.654 2.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 822 -15.029 10.298 0.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 822 -15.648 9.123 1.984 1.00 0.00 H new ATOM 596 N ALA A 823 -8.840 9.956 0.527 1.00 0.00 N ATOM 597 CA ALA A 823 -8.575 11.382 0.678 1.00 0.00 C ATOM 598 C ALA A 823 -7.649 11.887 -0.423 1.00 0.00 C ATOM 599 O ALA A 823 -7.665 13.069 -0.768 1.00 0.00 O ATOM 600 CB ALA A 823 -7.974 11.665 2.047 1.00 0.00 C ATOM 0 H ALA A 823 -8.433 9.372 1.257 1.00 0.00 H new ATOM 0 HA ALA A 823 -9.523 11.914 0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 823 -7.781 12.733 2.146 1.00 0.00 H new ATOM 0 HB2 ALA A 823 -8.671 11.349 2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 823 -7.038 11.116 2.154 1.00 0.00 H new ATOM 606 N HIS A 824 -6.841 10.985 -0.972 1.00 0.00 N ATOM 607 CA HIS A 824 -5.908 11.341 -2.035 1.00 0.00 C ATOM 608 C HIS A 824 -6.522 11.080 -3.407 1.00 0.00 C ATOM 609 O HIS A 824 -6.658 11.993 -4.220 1.00 0.00 O ATOM 610 CB HIS A 824 -4.608 10.549 -1.887 1.00 0.00 C ATOM 611 CG HIS A 824 -3.879 10.829 -0.609 1.00 0.00 C ATOM 612 ND1 HIS A 824 -3.389 12.075 -0.279 1.00 0.00 N ATOM 613 CD2 HIS A 824 -3.559 10.015 0.424 1.00 0.00 C ATOM 614 CE1 HIS A 824 -2.798 12.015 0.901 1.00 0.00 C ATOM 615 NE2 HIS A 824 -2.888 10.776 1.349 1.00 0.00 N ATOM 0 H HIS A 824 -6.814 10.003 -0.698 1.00 0.00 H new ATOM 0 HA HIS A 824 -5.689 12.405 -1.951 1.00 0.00 H new ATOM 0 HB2 HIS A 824 -4.833 9.484 -1.942 1.00 0.00 H new ATOM 0 HB3 HIS A 824 -3.953 10.780 -2.727 1.00 0.00 H new ATOM 0 HD2 HIS A 824 -3.789 8.963 0.505 1.00 0.00 H new ATOM 0 HE1 HIS A 824 -2.322 12.839 1.412 1.00 0.00 H new ATOM 0 HE2 HIS A 824 -2.519 10.439 2.238 1.00 0.00 H new ATOM 623 N GLY A 825 -6.891 9.828 -3.657 1.00 0.00 N ATOM 624 CA GLY A 825 -7.485 9.470 -4.932 1.00 0.00 C ATOM 625 C GLY A 825 -8.641 8.500 -4.781 1.00 0.00 C ATOM 626 O GLY A 825 -9.404 8.575 -3.817 1.00 0.00 O ATOM 0 H GLY A 825 -6.789 9.055 -3.000 1.00 0.00 H new ATOM 0 HA2 GLY A 825 -7.835 10.373 -5.432 1.00 0.00 H new ATOM 0 HA3 GLY A 825 -6.723 9.026 -5.572 1.00 0.00 H new ATOM 630 N THR A 826 -8.772 7.586 -5.737 1.00 0.00 N ATOM 631 CA THR A 826 -9.845 6.599 -5.708 1.00 0.00 C ATOM 632 C THR A 826 -9.355 5.272 -5.140 1.00 0.00 C ATOM 633 O THR A 826 -8.394 4.687 -5.641 1.00 0.00 O ATOM 634 CB THR A 826 -10.425 6.359 -7.115 1.00 0.00 C ATOM 635 OG1 THR A 826 -10.802 7.607 -7.709 1.00 0.00 O ATOM 636 CG2 THR A 826 -11.634 5.437 -7.051 1.00 0.00 C ATOM 0 H THR A 826 -8.149 7.508 -6.541 1.00 0.00 H new ATOM 0 HA THR A 826 -10.627 7.001 -5.064 1.00 0.00 H new ATOM 0 HB THR A 826 -9.657 5.884 -7.725 1.00 0.00 H new ATOM 0 HG1 THR A 826 -10.001 8.150 -7.866 1.00 0.00 H new ATOM 0 HG21 THR A 826 -12.027 5.282 -8.056 1.00 0.00 H new ATOM 0 HG22 THR A 826 -11.338 4.478 -6.625 1.00 0.00 H new ATOM 0 HG23 THR A 826 -12.404 5.890 -6.426 1.00 0.00 H new ATOM 644 N VAL A 827 -10.022 4.800 -4.091 1.00 0.00 N ATOM 645 CA VAL A 827 -9.655 3.540 -3.456 1.00 0.00 C ATOM 646 C VAL A 827 -10.454 2.379 -4.037 1.00 0.00 C ATOM 647 O VAL A 827 -11.640 2.218 -3.745 1.00 0.00 O ATOM 648 CB VAL A 827 -9.881 3.593 -1.933 1.00 0.00 C ATOM 649 CG1 VAL A 827 -9.508 2.265 -1.292 1.00 0.00 C ATOM 650 CG2 VAL A 827 -9.086 4.734 -1.317 1.00 0.00 C ATOM 0 H VAL A 827 -10.819 5.271 -3.663 1.00 0.00 H new ATOM 0 HA VAL A 827 -8.595 3.382 -3.654 1.00 0.00 H new ATOM 0 HB VAL A 827 -10.939 3.775 -1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 827 -9.674 2.321 -0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 827 -10.125 1.471 -1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 827 -8.457 2.050 -1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 827 -9.257 4.757 -0.241 1.00 0.00 H new ATOM 0 HG22 VAL A 827 -8.024 4.585 -1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 827 -9.406 5.679 -1.756 1.00 0.00 H new ATOM 660 N LYS A 828 -9.797 1.570 -4.861 1.00 0.00 N ATOM 661 CA LYS A 828 -10.445 0.421 -5.483 1.00 0.00 C ATOM 662 C LYS A 828 -10.630 -0.710 -4.476 1.00 0.00 C ATOM 663 O LYS A 828 -11.724 -1.258 -4.338 1.00 0.00 O ATOM 664 CB LYS A 828 -9.620 -0.072 -6.674 1.00 0.00 C ATOM 665 CG LYS A 828 -9.621 0.885 -7.853 1.00 0.00 C ATOM 666 CD LYS A 828 -10.969 0.906 -8.553 1.00 0.00 C ATOM 667 CE LYS A 828 -11.180 -0.344 -9.394 1.00 0.00 C ATOM 668 NZ LYS A 828 -10.418 -0.288 -10.672 1.00 0.00 N ATOM 0 H LYS A 828 -8.816 1.689 -5.114 1.00 0.00 H new ATOM 0 HA LYS A 828 -11.428 0.735 -5.834 1.00 0.00 H new ATOM 0 HB2 LYS A 828 -8.592 -0.235 -6.350 1.00 0.00 H new ATOM 0 HB3 LYS A 828 -10.009 -1.037 -7.000 1.00 0.00 H new ATOM 0 HG2 LYS A 828 -9.374 1.889 -7.508 1.00 0.00 H new ATOM 0 HG3 LYS A 828 -8.847 0.591 -8.562 1.00 0.00 H new ATOM 0 HD2 LYS A 828 -11.764 0.985 -7.812 1.00 0.00 H new ATOM 0 HD3 LYS A 828 -11.036 1.789 -9.188 1.00 0.00 H new ATOM 0 HE2 LYS A 828 -10.871 -1.221 -8.825 1.00 0.00 H new ATOM 0 HE3 LYS A 828 -12.242 -0.462 -9.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 828 -11.059 -0.484 -11.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 828 -10.002 0.658 -10.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 828 -9.660 -0.999 -10.655 1.00 0.00 H new ATOM 682 N ASP A 829 -9.555 -1.054 -3.775 1.00 0.00 N ATOM 683 CA ASP A 829 -9.600 -2.118 -2.779 1.00 0.00 C ATOM 684 C ASP A 829 -8.614 -1.845 -1.647 1.00 0.00 C ATOM 685 O ASP A 829 -7.595 -1.182 -1.844 1.00 0.00 O ATOM 686 CB ASP A 829 -9.289 -3.467 -3.429 1.00 0.00 C ATOM 687 CG ASP A 829 -9.714 -4.638 -2.564 1.00 0.00 C ATOM 688 OD1 ASP A 829 -8.905 -5.074 -1.719 1.00 0.00 O ATOM 689 OD2 ASP A 829 -10.854 -5.118 -2.732 1.00 0.00 O ATOM 0 H ASP A 829 -8.642 -0.611 -3.878 1.00 0.00 H new ATOM 0 HA ASP A 829 -10.606 -2.148 -2.361 1.00 0.00 H new ATOM 0 HB2 ASP A 829 -9.795 -3.528 -4.392 1.00 0.00 H new ATOM 0 HB3 ASP A 829 -8.219 -3.534 -3.626 1.00 0.00 H new ATOM 694 N LEU A 830 -8.925 -2.359 -0.462 1.00 0.00 N ATOM 695 CA LEU A 830 -8.067 -2.170 0.702 1.00 0.00 C ATOM 696 C LEU A 830 -8.072 -3.411 1.589 1.00 0.00 C ATOM 697 O LEU A 830 -9.129 -3.958 1.902 1.00 0.00 O ATOM 698 CB LEU A 830 -8.526 -0.953 1.506 1.00 0.00 C ATOM 699 CG LEU A 830 -7.436 -0.209 2.279 1.00 0.00 C ATOM 700 CD1 LEU A 830 -7.932 1.160 2.718 1.00 0.00 C ATOM 701 CD2 LEU A 830 -6.983 -1.024 3.481 1.00 0.00 C ATOM 0 H LEU A 830 -9.765 -2.910 -0.282 1.00 0.00 H new ATOM 0 HA LEU A 830 -7.049 -2.002 0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 830 -9.003 -0.250 0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 830 -9.289 -1.277 2.214 1.00 0.00 H new ATOM 0 HG LEU A 830 -6.581 -0.068 1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 830 -7.143 1.674 3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 830 -8.206 1.746 1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 830 -8.804 1.042 3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 830 -6.207 -0.479 4.019 1.00 0.00 H new ATOM 0 HD22 LEU A 830 -7.831 -1.197 4.144 1.00 0.00 H new ATOM 0 HD23 LEU A 830 -6.586 -1.981 3.143 1.00 0.00 H new ATOM 713 N ARG A 831 -6.883 -3.848 1.993 1.00 0.00 N ATOM 714 CA ARG A 831 -6.751 -5.024 2.845 1.00 0.00 C ATOM 715 C ARG A 831 -5.713 -4.789 3.938 1.00 0.00 C ATOM 716 O ARG A 831 -4.809 -3.965 3.785 1.00 0.00 O ATOM 717 CB ARG A 831 -6.359 -6.244 2.009 1.00 0.00 C ATOM 718 CG ARG A 831 -6.185 -7.512 2.828 1.00 0.00 C ATOM 719 CD ARG A 831 -6.308 -8.756 1.963 1.00 0.00 C ATOM 720 NE ARG A 831 -5.118 -8.975 1.145 1.00 0.00 N ATOM 721 CZ ARG A 831 -5.112 -9.708 0.037 1.00 0.00 C ATOM 722 NH1 ARG A 831 -6.227 -10.289 -0.383 1.00 0.00 N ATOM 723 NH2 ARG A 831 -3.989 -9.860 -0.653 1.00 0.00 N ATOM 0 H ARG A 831 -5.998 -3.406 1.744 1.00 0.00 H new ATOM 0 HA ARG A 831 -7.716 -5.210 3.317 1.00 0.00 H new ATOM 0 HB2 ARG A 831 -7.122 -6.414 1.249 1.00 0.00 H new ATOM 0 HB3 ARG A 831 -5.428 -6.030 1.484 1.00 0.00 H new ATOM 0 HG2 ARG A 831 -5.210 -7.501 3.315 1.00 0.00 H new ATOM 0 HG3 ARG A 831 -6.935 -7.542 3.618 1.00 0.00 H new ATOM 0 HD2 ARG A 831 -6.475 -9.625 2.600 1.00 0.00 H new ATOM 0 HD3 ARG A 831 -7.180 -8.663 1.316 1.00 0.00 H new ATOM 0 HE ARG A 831 -4.243 -8.541 1.441 1.00 0.00 H new ATOM 0 HH11 ARG A 831 -7.092 -10.174 0.145 1.00 0.00 H new ATOM 0 HH12 ARG A 831 -6.220 -10.851 -1.234 1.00 0.00 H new ATOM 0 HH21 ARG A 831 -3.129 -9.414 -0.333 1.00 0.00 H new ATOM 0 HH22 ARG A 831 -3.985 -10.423 -1.504 1.00 0.00 H new ATOM 737 N LEU A 832 -5.848 -5.516 5.041 1.00 0.00 N ATOM 738 CA LEU A 832 -4.922 -5.387 6.161 1.00 0.00 C ATOM 739 C LEU A 832 -4.243 -6.719 6.463 1.00 0.00 C ATOM 740 O LEU A 832 -4.898 -7.757 6.548 1.00 0.00 O ATOM 741 CB LEU A 832 -5.661 -4.885 7.404 1.00 0.00 C ATOM 742 CG LEU A 832 -6.667 -3.757 7.176 1.00 0.00 C ATOM 743 CD1 LEU A 832 -7.456 -3.482 8.447 1.00 0.00 C ATOM 744 CD2 LEU A 832 -5.958 -2.497 6.703 1.00 0.00 C ATOM 0 H LEU A 832 -6.590 -6.201 5.184 1.00 0.00 H new ATOM 0 HA LEU A 832 -4.155 -4.664 5.884 1.00 0.00 H new ATOM 0 HB2 LEU A 832 -6.186 -5.727 7.855 1.00 0.00 H new ATOM 0 HB3 LEU A 832 -4.922 -4.545 8.129 1.00 0.00 H new ATOM 0 HG LEU A 832 -7.365 -4.070 6.399 1.00 0.00 H new ATOM 0 HD11 LEU A 832 -8.167 -2.676 8.266 1.00 0.00 H new ATOM 0 HD12 LEU A 832 -7.995 -4.382 8.743 1.00 0.00 H new ATOM 0 HD13 LEU A 832 -6.772 -3.190 9.244 1.00 0.00 H new ATOM 0 HD21 LEU A 832 -6.690 -1.705 6.546 1.00 0.00 H new ATOM 0 HD22 LEU A 832 -5.237 -2.181 7.457 1.00 0.00 H new ATOM 0 HD23 LEU A 832 -5.438 -2.702 5.767 1.00 0.00 H new ATOM 756 N VAL A 833 -2.924 -6.681 6.626 1.00 0.00 N ATOM 757 CA VAL A 833 -2.155 -7.884 6.921 1.00 0.00 C ATOM 758 C VAL A 833 -2.391 -8.348 8.354 1.00 0.00 C ATOM 759 O VAL A 833 -1.903 -7.737 9.306 1.00 0.00 O ATOM 760 CB VAL A 833 -0.647 -7.653 6.709 1.00 0.00 C ATOM 761 CG1 VAL A 833 0.126 -8.946 6.920 1.00 0.00 C ATOM 762 CG2 VAL A 833 -0.386 -7.085 5.323 1.00 0.00 C ATOM 0 H VAL A 833 -2.366 -5.830 6.559 1.00 0.00 H new ATOM 0 HA VAL A 833 -2.496 -8.656 6.231 1.00 0.00 H new ATOM 0 HB VAL A 833 -0.300 -6.927 7.445 1.00 0.00 H new ATOM 0 HG11 VAL A 833 1.190 -8.763 6.766 1.00 0.00 H new ATOM 0 HG12 VAL A 833 -0.037 -9.306 7.936 1.00 0.00 H new ATOM 0 HG13 VAL A 833 -0.220 -9.697 6.209 1.00 0.00 H new ATOM 0 HG21 VAL A 833 0.684 -6.928 5.190 1.00 0.00 H new ATOM 0 HG22 VAL A 833 -0.747 -7.785 4.569 1.00 0.00 H new ATOM 0 HG23 VAL A 833 -0.908 -6.135 5.215 1.00 0.00 H new ATOM 772 N THR A 834 -3.142 -9.435 8.503 1.00 0.00 N ATOM 773 CA THR A 834 -3.444 -9.982 9.819 1.00 0.00 C ATOM 774 C THR A 834 -2.779 -11.339 10.016 1.00 0.00 C ATOM 775 O THR A 834 -2.054 -11.818 9.145 1.00 0.00 O ATOM 776 CB THR A 834 -4.962 -10.131 10.032 1.00 0.00 C ATOM 777 OG1 THR A 834 -5.504 -11.042 9.069 1.00 0.00 O ATOM 778 CG2 THR A 834 -5.660 -8.785 9.912 1.00 0.00 C ATOM 0 H THR A 834 -3.552 -9.954 7.727 1.00 0.00 H new ATOM 0 HA THR A 834 -3.050 -9.277 10.551 1.00 0.00 H new ATOM 0 HB THR A 834 -5.129 -10.521 11.036 1.00 0.00 H new ATOM 0 HG1 THR A 834 -6.469 -11.133 9.212 1.00 0.00 H new ATOM 0 HG21 THR A 834 -6.731 -8.916 10.066 1.00 0.00 H new ATOM 0 HG22 THR A 834 -5.266 -8.102 10.665 1.00 0.00 H new ATOM 0 HG23 THR A 834 -5.484 -8.371 8.919 1.00 0.00 H new ATOM 786 N ASN A 835 -3.031 -11.956 11.167 1.00 0.00 N ATOM 787 CA ASN A 835 -2.456 -13.259 11.477 1.00 0.00 C ATOM 788 C ASN A 835 -3.541 -14.330 11.548 1.00 0.00 C ATOM 789 O ASN A 835 -4.724 -14.041 11.370 1.00 0.00 O ATOM 790 CB ASN A 835 -1.695 -13.201 12.803 1.00 0.00 C ATOM 791 CG ASN A 835 -2.614 -12.974 13.988 1.00 0.00 C ATOM 792 OD1 ASN A 835 -3.537 -12.163 13.925 1.00 0.00 O ATOM 793 ND2 ASN A 835 -2.363 -13.691 15.077 1.00 0.00 N ATOM 0 H ASN A 835 -3.629 -11.574 11.899 1.00 0.00 H new ATOM 0 HA ASN A 835 -1.763 -13.521 10.678 1.00 0.00 H new ATOM 0 HB2 ASN A 835 -1.147 -14.132 12.945 1.00 0.00 H new ATOM 0 HB3 ASN A 835 -0.957 -12.400 12.760 1.00 0.00 H new ATOM 0 HD21 ASN A 835 -2.947 -13.581 15.906 1.00 0.00 H new ATOM 0 HD22 ASN A 835 -1.586 -14.352 15.084 1.00 0.00 H new ATOM 800 N ARG A 836 -3.129 -15.566 11.809 1.00 0.00 N ATOM 801 CA ARG A 836 -4.065 -16.680 11.902 1.00 0.00 C ATOM 802 C ARG A 836 -5.259 -16.314 12.779 1.00 0.00 C ATOM 803 O ARG A 836 -6.337 -16.893 12.650 1.00 0.00 O ATOM 804 CB ARG A 836 -3.365 -17.917 12.466 1.00 0.00 C ATOM 805 CG ARG A 836 -2.512 -18.652 11.445 1.00 0.00 C ATOM 806 CD ARG A 836 -1.796 -19.840 12.069 1.00 0.00 C ATOM 807 NE ARG A 836 -2.616 -21.048 12.046 1.00 0.00 N ATOM 808 CZ ARG A 836 -2.147 -22.260 12.318 1.00 0.00 C ATOM 809 NH1 ARG A 836 -0.870 -22.425 12.633 1.00 0.00 N ATOM 810 NH2 ARG A 836 -2.956 -23.311 12.275 1.00 0.00 N ATOM 0 H ARG A 836 -2.153 -15.821 11.960 1.00 0.00 H new ATOM 0 HA ARG A 836 -4.427 -16.902 10.898 1.00 0.00 H new ATOM 0 HB2 ARG A 836 -2.736 -17.618 13.304 1.00 0.00 H new ATOM 0 HB3 ARG A 836 -4.116 -18.602 12.860 1.00 0.00 H new ATOM 0 HG2 ARG A 836 -3.141 -18.995 10.624 1.00 0.00 H new ATOM 0 HG3 ARG A 836 -1.779 -17.966 11.020 1.00 0.00 H new ATOM 0 HD2 ARG A 836 -0.865 -20.024 11.533 1.00 0.00 H new ATOM 0 HD3 ARG A 836 -1.530 -19.602 13.099 1.00 0.00 H new ATOM 0 HE ARG A 836 -3.604 -20.956 11.808 1.00 0.00 H new ATOM 0 HH11 ARG A 836 -0.245 -21.620 12.667 1.00 0.00 H new ATOM 0 HH12 ARG A 836 -0.512 -23.357 12.842 1.00 0.00 H new ATOM 0 HH21 ARG A 836 -3.939 -23.188 12.033 1.00 0.00 H new ATOM 0 HH22 ARG A 836 -2.595 -24.242 12.484 1.00 0.00 H new ATOM 824 N ALA A 837 -5.059 -15.349 13.671 1.00 0.00 N ATOM 825 CA ALA A 837 -6.118 -14.905 14.567 1.00 0.00 C ATOM 826 C ALA A 837 -6.918 -13.763 13.950 1.00 0.00 C ATOM 827 O ALA A 837 -8.147 -13.762 13.987 1.00 0.00 O ATOM 828 CB ALA A 837 -5.533 -14.480 15.906 1.00 0.00 C ATOM 0 H ALA A 837 -4.172 -14.860 13.792 1.00 0.00 H new ATOM 0 HA ALA A 837 -6.797 -15.742 14.729 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -6.336 -14.151 16.566 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -5.013 -15.324 16.360 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -4.830 -13.661 15.753 1.00 0.00 H new ATOM 834 N GLY A 838 -6.210 -12.790 13.383 1.00 0.00 N ATOM 835 CA GLY A 838 -6.871 -11.655 12.766 1.00 0.00 C ATOM 836 C GLY A 838 -6.307 -10.329 13.238 1.00 0.00 C ATOM 837 O GLY A 838 -6.671 -9.272 12.723 1.00 0.00 O ATOM 0 H GLY A 838 -5.191 -12.768 13.340 1.00 0.00 H new ATOM 0 HA2 GLY A 838 -6.770 -11.724 11.683 1.00 0.00 H new ATOM 0 HA3 GLY A 838 -7.937 -11.693 12.990 1.00 0.00 H new ATOM 841 N LYS A 839 -5.416 -10.384 14.223 1.00 0.00 N ATOM 842 CA LYS A 839 -4.801 -9.179 14.766 1.00 0.00 C ATOM 843 C LYS A 839 -3.929 -8.494 13.718 1.00 0.00 C ATOM 844 O LYS A 839 -3.262 -9.142 12.911 1.00 0.00 O ATOM 845 CB LYS A 839 -3.961 -9.522 15.998 1.00 0.00 C ATOM 846 CG LYS A 839 -4.774 -10.085 17.151 1.00 0.00 C ATOM 847 CD LYS A 839 -5.512 -8.988 17.901 1.00 0.00 C ATOM 848 CE LYS A 839 -6.143 -9.516 19.180 1.00 0.00 C ATOM 849 NZ LYS A 839 -6.564 -8.412 20.087 1.00 0.00 N ATOM 0 H LYS A 839 -5.104 -11.251 14.661 1.00 0.00 H new ATOM 0 HA LYS A 839 -5.597 -8.493 15.056 1.00 0.00 H new ATOM 0 HB2 LYS A 839 -3.196 -10.246 15.716 1.00 0.00 H new ATOM 0 HB3 LYS A 839 -3.442 -8.625 16.335 1.00 0.00 H new ATOM 0 HG2 LYS A 839 -5.491 -10.813 16.771 1.00 0.00 H new ATOM 0 HG3 LYS A 839 -4.114 -10.616 17.837 1.00 0.00 H new ATOM 0 HD2 LYS A 839 -4.820 -8.181 18.142 1.00 0.00 H new ATOM 0 HD3 LYS A 839 -6.285 -8.564 17.260 1.00 0.00 H new ATOM 0 HE2 LYS A 839 -7.008 -10.132 18.931 1.00 0.00 H new ATOM 0 HE3 LYS A 839 -5.432 -10.160 19.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 839 -6.989 -8.813 20.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 839 -5.735 -7.839 20.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 839 -7.262 -7.812 19.603 1.00 0.00 H new ATOM 863 N PRO A 840 -3.931 -7.153 13.731 1.00 0.00 N ATOM 864 CA PRO A 840 -3.143 -6.351 12.789 1.00 0.00 C ATOM 865 C PRO A 840 -1.645 -6.449 13.057 1.00 0.00 C ATOM 866 O PRO A 840 -1.173 -6.100 14.139 1.00 0.00 O ATOM 867 CB PRO A 840 -3.639 -4.924 13.038 1.00 0.00 C ATOM 868 CG PRO A 840 -4.145 -4.937 14.439 1.00 0.00 C ATOM 869 CD PRO A 840 -4.702 -6.316 14.665 1.00 0.00 C ATOM 0 HA PRO A 840 -3.270 -6.688 11.760 1.00 0.00 H new ATOM 0 HB2 PRO A 840 -2.835 -4.198 12.914 1.00 0.00 H new ATOM 0 HB3 PRO A 840 -4.426 -4.650 12.335 1.00 0.00 H new ATOM 0 HG2 PRO A 840 -3.344 -4.719 15.145 1.00 0.00 H new ATOM 0 HG3 PRO A 840 -4.913 -4.177 14.584 1.00 0.00 H new ATOM 0 HD2 PRO A 840 -4.569 -6.639 15.698 1.00 0.00 H new ATOM 0 HD3 PRO A 840 -5.770 -6.357 14.453 1.00 0.00 H new ATOM 877 N LYS A 841 -0.902 -6.925 12.064 1.00 0.00 N ATOM 878 CA LYS A 841 0.544 -7.067 12.190 1.00 0.00 C ATOM 879 C LYS A 841 1.245 -5.733 11.952 1.00 0.00 C ATOM 880 O LYS A 841 2.442 -5.597 12.200 1.00 0.00 O ATOM 881 CB LYS A 841 1.063 -8.112 11.200 1.00 0.00 C ATOM 882 CG LYS A 841 0.497 -9.503 11.431 1.00 0.00 C ATOM 883 CD LYS A 841 1.479 -10.582 11.006 1.00 0.00 C ATOM 884 CE LYS A 841 1.738 -10.541 9.508 1.00 0.00 C ATOM 885 NZ LYS A 841 2.616 -11.659 9.066 1.00 0.00 N ATOM 0 H LYS A 841 -1.277 -7.219 11.162 1.00 0.00 H new ATOM 0 HA LYS A 841 0.764 -7.397 13.205 1.00 0.00 H new ATOM 0 HB2 LYS A 841 0.819 -7.793 10.187 1.00 0.00 H new ATOM 0 HB3 LYS A 841 2.150 -8.155 11.267 1.00 0.00 H new ATOM 0 HG2 LYS A 841 0.253 -9.627 12.486 1.00 0.00 H new ATOM 0 HG3 LYS A 841 -0.433 -9.616 10.873 1.00 0.00 H new ATOM 0 HD2 LYS A 841 2.419 -10.452 11.543 1.00 0.00 H new ATOM 0 HD3 LYS A 841 1.087 -11.561 11.282 1.00 0.00 H new ATOM 0 HE2 LYS A 841 0.789 -10.592 8.974 1.00 0.00 H new ATOM 0 HE3 LYS A 841 2.201 -9.590 9.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 2.768 -11.596 8.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 3.531 -11.597 9.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 2.163 -12.567 9.293 1.00 0.00 H new ATOM 899 N GLY A 842 0.490 -4.751 11.470 1.00 0.00 N ATOM 900 CA GLY A 842 1.056 -3.440 11.207 1.00 0.00 C ATOM 901 C GLY A 842 1.159 -3.140 9.725 1.00 0.00 C ATOM 902 O GLY A 842 1.239 -1.978 9.324 1.00 0.00 O ATOM 0 H GLY A 842 -0.504 -4.839 11.257 1.00 0.00 H new ATOM 0 HA2 GLY A 842 0.440 -2.679 11.687 1.00 0.00 H new ATOM 0 HA3 GLY A 842 2.047 -3.379 11.657 1.00 0.00 H new ATOM 906 N LEU A 843 1.158 -4.188 8.909 1.00 0.00 N ATOM 907 CA LEU A 843 1.254 -4.031 7.462 1.00 0.00 C ATOM 908 C LEU A 843 -0.132 -3.952 6.830 1.00 0.00 C ATOM 909 O LEU A 843 -1.028 -4.719 7.178 1.00 0.00 O ATOM 910 CB LEU A 843 2.039 -5.194 6.854 1.00 0.00 C ATOM 911 CG LEU A 843 3.372 -5.528 7.524 1.00 0.00 C ATOM 912 CD1 LEU A 843 4.071 -6.661 6.788 1.00 0.00 C ATOM 913 CD2 LEU A 843 4.264 -4.296 7.582 1.00 0.00 C ATOM 0 H LEU A 843 1.092 -5.156 9.225 1.00 0.00 H new ATOM 0 HA LEU A 843 1.780 -3.099 7.256 1.00 0.00 H new ATOM 0 HB2 LEU A 843 1.410 -6.084 6.880 1.00 0.00 H new ATOM 0 HB3 LEU A 843 2.229 -4.968 5.805 1.00 0.00 H new ATOM 0 HG LEU A 843 3.172 -5.855 8.544 1.00 0.00 H new ATOM 0 HD11 LEU A 843 5.018 -6.885 7.279 1.00 0.00 H new ATOM 0 HD12 LEU A 843 3.438 -7.548 6.800 1.00 0.00 H new ATOM 0 HD13 LEU A 843 4.259 -6.363 5.756 1.00 0.00 H new ATOM 0 HD21 LEU A 843 5.208 -4.553 8.062 1.00 0.00 H new ATOM 0 HD22 LEU A 843 4.457 -3.938 6.571 1.00 0.00 H new ATOM 0 HD23 LEU A 843 3.767 -3.513 8.155 1.00 0.00 H new ATOM 925 N ALA A 844 -0.299 -3.019 5.898 1.00 0.00 N ATOM 926 CA ALA A 844 -1.574 -2.843 5.214 1.00 0.00 C ATOM 927 C ALA A 844 -1.370 -2.636 3.717 1.00 0.00 C ATOM 928 O ALA A 844 -0.403 -2.001 3.294 1.00 0.00 O ATOM 929 CB ALA A 844 -2.335 -1.669 5.812 1.00 0.00 C ATOM 0 H ALA A 844 0.433 -2.374 5.600 1.00 0.00 H new ATOM 0 HA ALA A 844 -2.161 -3.751 5.352 1.00 0.00 H new ATOM 0 HB1 ALA A 844 -3.285 -1.549 5.292 1.00 0.00 H new ATOM 0 HB2 ALA A 844 -2.521 -1.857 6.869 1.00 0.00 H new ATOM 0 HB3 ALA A 844 -1.744 -0.759 5.704 1.00 0.00 H new ATOM 935 N TYR A 845 -2.285 -3.175 2.920 1.00 0.00 N ATOM 936 CA TYR A 845 -2.204 -3.052 1.469 1.00 0.00 C ATOM 937 C TYR A 845 -3.313 -2.150 0.936 1.00 0.00 C ATOM 938 O TYR A 845 -4.465 -2.248 1.358 1.00 0.00 O ATOM 939 CB TYR A 845 -2.293 -4.431 0.813 1.00 0.00 C ATOM 940 CG TYR A 845 -0.977 -5.175 0.786 1.00 0.00 C ATOM 941 CD1 TYR A 845 -0.535 -5.886 1.895 1.00 0.00 C ATOM 942 CD2 TYR A 845 -0.176 -5.168 -0.349 1.00 0.00 C ATOM 943 CE1 TYR A 845 0.667 -6.566 1.875 1.00 0.00 C ATOM 944 CE2 TYR A 845 1.027 -5.847 -0.379 1.00 0.00 C ATOM 945 CZ TYR A 845 1.445 -6.544 0.736 1.00 0.00 C ATOM 946 OH TYR A 845 2.642 -7.221 0.711 1.00 0.00 O ATOM 0 H TYR A 845 -3.092 -3.702 3.254 1.00 0.00 H new ATOM 0 HA TYR A 845 -1.243 -2.601 1.221 1.00 0.00 H new ATOM 0 HB2 TYR A 845 -3.029 -5.031 1.347 1.00 0.00 H new ATOM 0 HB3 TYR A 845 -2.656 -4.316 -0.208 1.00 0.00 H new ATOM 0 HD1 TYR A 845 -1.142 -5.907 2.788 1.00 0.00 H new ATOM 0 HD2 TYR A 845 -0.499 -4.622 -1.223 1.00 0.00 H new ATOM 0 HE1 TYR A 845 0.996 -7.112 2.747 1.00 0.00 H new ATOM 0 HE2 TYR A 845 1.637 -5.832 -1.270 1.00 0.00 H new ATOM 0 HH TYR A 845 3.065 -7.105 -0.165 1.00 0.00 H new ATOM 956 N VAL A 846 -2.956 -1.272 0.004 1.00 0.00 N ATOM 957 CA VAL A 846 -3.919 -0.354 -0.591 1.00 0.00 C ATOM 958 C VAL A 846 -3.932 -0.478 -2.110 1.00 0.00 C ATOM 959 O VAL A 846 -2.886 -0.638 -2.738 1.00 0.00 O ATOM 960 CB VAL A 846 -3.612 1.106 -0.208 1.00 0.00 C ATOM 961 CG1 VAL A 846 -4.509 2.061 -0.981 1.00 0.00 C ATOM 962 CG2 VAL A 846 -3.770 1.309 1.291 1.00 0.00 C ATOM 0 H VAL A 846 -2.006 -1.177 -0.355 1.00 0.00 H new ATOM 0 HA VAL A 846 -4.899 -0.626 -0.200 1.00 0.00 H new ATOM 0 HB VAL A 846 -2.577 1.322 -0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -4.278 3.088 -0.697 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -4.340 1.933 -2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -5.553 1.847 -0.750 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -3.549 2.346 1.543 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -4.793 1.074 1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -3.081 0.652 1.822 1.00 0.00 H new ATOM 972 N GLU A 847 -5.124 -0.401 -2.694 1.00 0.00 N ATOM 973 CA GLU A 847 -5.272 -0.505 -4.141 1.00 0.00 C ATOM 974 C GLU A 847 -6.021 0.701 -4.699 1.00 0.00 C ATOM 975 O GLU A 847 -7.180 0.940 -4.357 1.00 0.00 O ATOM 976 CB GLU A 847 -6.012 -1.793 -4.509 1.00 0.00 C ATOM 977 CG GLU A 847 -5.769 -2.248 -5.938 1.00 0.00 C ATOM 978 CD GLU A 847 -6.840 -3.198 -6.438 1.00 0.00 C ATOM 979 OE1 GLU A 847 -6.877 -4.352 -5.961 1.00 0.00 O ATOM 980 OE2 GLU A 847 -7.639 -2.789 -7.305 1.00 0.00 O ATOM 0 H GLU A 847 -6.000 -0.267 -2.188 1.00 0.00 H new ATOM 0 HA GLU A 847 -4.275 -0.528 -4.582 1.00 0.00 H new ATOM 0 HB2 GLU A 847 -5.705 -2.586 -3.827 1.00 0.00 H new ATOM 0 HB3 GLU A 847 -7.081 -1.642 -4.362 1.00 0.00 H new ATOM 0 HG2 GLU A 847 -5.728 -1.376 -6.591 1.00 0.00 H new ATOM 0 HG3 GLU A 847 -4.797 -2.738 -5.999 1.00 0.00 H new ATOM 987 N TYR A 848 -5.352 1.459 -5.561 1.00 0.00 N ATOM 988 CA TYR A 848 -5.952 2.643 -6.164 1.00 0.00 C ATOM 989 C TYR A 848 -6.481 2.333 -7.561 1.00 0.00 C ATOM 990 O TYR A 848 -6.371 1.206 -8.042 1.00 0.00 O ATOM 991 CB TYR A 848 -4.930 3.779 -6.235 1.00 0.00 C ATOM 992 CG TYR A 848 -4.905 4.648 -4.998 1.00 0.00 C ATOM 993 CD1 TYR A 848 -4.335 4.191 -3.816 1.00 0.00 C ATOM 994 CD2 TYR A 848 -5.451 5.925 -5.011 1.00 0.00 C ATOM 995 CE1 TYR A 848 -4.310 4.981 -2.683 1.00 0.00 C ATOM 996 CE2 TYR A 848 -5.429 6.723 -3.883 1.00 0.00 C ATOM 997 CZ TYR A 848 -4.858 6.246 -2.721 1.00 0.00 C ATOM 998 OH TYR A 848 -4.835 7.037 -1.596 1.00 0.00 O ATOM 0 H TYR A 848 -4.394 1.274 -5.858 1.00 0.00 H new ATOM 0 HA TYR A 848 -6.788 2.954 -5.538 1.00 0.00 H new ATOM 0 HB2 TYR A 848 -3.938 3.355 -6.391 1.00 0.00 H new ATOM 0 HB3 TYR A 848 -5.151 4.402 -7.102 1.00 0.00 H new ATOM 0 HD1 TYR A 848 -3.904 3.201 -3.783 1.00 0.00 H new ATOM 0 HD2 TYR A 848 -5.900 6.301 -5.918 1.00 0.00 H new ATOM 0 HE1 TYR A 848 -3.864 4.610 -1.772 1.00 0.00 H new ATOM 0 HE2 TYR A 848 -5.856 7.714 -3.911 1.00 0.00 H new ATOM 0 HH TYR A 848 -5.741 7.357 -1.403 1.00 0.00 H new ATOM 1008 N GLU A 849 -7.056 3.343 -8.207 1.00 0.00 N ATOM 1009 CA GLU A 849 -7.603 3.179 -9.549 1.00 0.00 C ATOM 1010 C GLU A 849 -6.561 3.530 -10.607 1.00 0.00 C ATOM 1011 O GLU A 849 -6.385 2.803 -11.584 1.00 0.00 O ATOM 1012 CB GLU A 849 -8.844 4.055 -9.728 1.00 0.00 C ATOM 1013 CG GLU A 849 -9.572 3.818 -11.040 1.00 0.00 C ATOM 1014 CD GLU A 849 -10.702 4.804 -11.268 1.00 0.00 C ATOM 1015 OE1 GLU A 849 -10.551 5.980 -10.878 1.00 0.00 O ATOM 1016 OE2 GLU A 849 -11.737 4.398 -11.836 1.00 0.00 O ATOM 0 H GLU A 849 -7.155 4.283 -7.823 1.00 0.00 H new ATOM 0 HA GLU A 849 -7.885 2.134 -9.674 1.00 0.00 H new ATOM 0 HB2 GLU A 849 -9.531 3.870 -8.902 1.00 0.00 H new ATOM 0 HB3 GLU A 849 -8.550 5.103 -9.669 1.00 0.00 H new ATOM 0 HG2 GLU A 849 -8.861 3.889 -11.863 1.00 0.00 H new ATOM 0 HG3 GLU A 849 -9.972 2.804 -11.051 1.00 0.00 H new ATOM 1023 N ASN A 850 -5.874 4.649 -10.405 1.00 0.00 N ATOM 1024 CA ASN A 850 -4.851 5.098 -11.342 1.00 0.00 C ATOM 1025 C ASN A 850 -3.496 5.217 -10.652 1.00 0.00 C ATOM 1026 O ASN A 850 -3.416 5.264 -9.425 1.00 0.00 O ATOM 1027 CB ASN A 850 -5.245 6.445 -11.953 1.00 0.00 C ATOM 1028 CG ASN A 850 -4.420 6.787 -13.179 1.00 0.00 C ATOM 1029 OD1 ASN A 850 -4.286 5.976 -14.096 1.00 0.00 O ATOM 1030 ND2 ASN A 850 -3.864 7.992 -13.201 1.00 0.00 N ATOM 0 H ASN A 850 -6.007 5.262 -9.601 1.00 0.00 H new ATOM 0 HA ASN A 850 -4.770 4.356 -12.136 1.00 0.00 H new ATOM 0 HB2 ASN A 850 -6.301 6.423 -12.223 1.00 0.00 H new ATOM 0 HB3 ASN A 850 -5.123 7.229 -11.206 1.00 0.00 H new ATOM 0 HD21 ASN A 850 -3.299 8.278 -14.000 1.00 0.00 H new ATOM 0 HD22 ASN A 850 -4.002 8.632 -12.419 1.00 0.00 H new ATOM 1037 N GLU A 851 -2.434 5.265 -11.450 1.00 0.00 N ATOM 1038 CA GLU A 851 -1.082 5.378 -10.916 1.00 0.00 C ATOM 1039 C GLU A 851 -0.853 6.756 -10.301 1.00 0.00 C ATOM 1040 O GLU A 851 -0.461 6.872 -9.140 1.00 0.00 O ATOM 1041 CB GLU A 851 -0.051 5.121 -12.017 1.00 0.00 C ATOM 1042 CG GLU A 851 0.118 3.651 -12.363 1.00 0.00 C ATOM 1043 CD GLU A 851 -1.148 3.037 -12.928 1.00 0.00 C ATOM 1044 OE1 GLU A 851 -1.818 3.704 -13.743 1.00 0.00 O ATOM 1045 OE2 GLU A 851 -1.468 1.888 -12.556 1.00 0.00 O ATOM 0 H GLU A 851 -2.484 5.227 -12.468 1.00 0.00 H new ATOM 0 HA GLU A 851 -0.964 4.627 -10.135 1.00 0.00 H new ATOM 0 HB2 GLU A 851 -0.347 5.665 -12.914 1.00 0.00 H new ATOM 0 HB3 GLU A 851 0.912 5.524 -11.703 1.00 0.00 H new ATOM 0 HG2 GLU A 851 0.925 3.542 -13.088 1.00 0.00 H new ATOM 0 HG3 GLU A 851 0.416 3.103 -11.469 1.00 0.00 H new ATOM 1052 N SER A 852 -1.101 7.797 -11.088 1.00 0.00 N ATOM 1053 CA SER A 852 -0.918 9.167 -10.624 1.00 0.00 C ATOM 1054 C SER A 852 -1.391 9.319 -9.181 1.00 0.00 C ATOM 1055 O SER A 852 -0.610 9.663 -8.295 1.00 0.00 O ATOM 1056 CB SER A 852 -1.679 10.140 -11.527 1.00 0.00 C ATOM 1057 OG SER A 852 -1.052 11.411 -11.550 1.00 0.00 O ATOM 0 H SER A 852 -1.429 7.718 -12.050 1.00 0.00 H new ATOM 0 HA SER A 852 0.146 9.400 -10.666 1.00 0.00 H new ATOM 0 HB2 SER A 852 -1.730 9.738 -12.539 1.00 0.00 H new ATOM 0 HB3 SER A 852 -2.705 10.243 -11.173 1.00 0.00 H new ATOM 0 HG SER A 852 -1.556 12.014 -12.135 1.00 0.00 H new ATOM 1063 N GLN A 853 -2.675 9.060 -8.955 1.00 0.00 N ATOM 1064 CA GLN A 853 -3.252 9.169 -7.621 1.00 0.00 C ATOM 1065 C GLN A 853 -2.392 8.440 -6.594 1.00 0.00 C ATOM 1066 O GLN A 853 -1.872 9.050 -5.660 1.00 0.00 O ATOM 1067 CB GLN A 853 -4.672 8.601 -7.609 1.00 0.00 C ATOM 1068 CG GLN A 853 -5.690 9.492 -8.303 1.00 0.00 C ATOM 1069 CD GLN A 853 -7.062 8.853 -8.391 1.00 0.00 C ATOM 1070 OE1 GLN A 853 -8.011 9.304 -7.749 1.00 0.00 O ATOM 1071 NE2 GLN A 853 -7.173 7.796 -9.187 1.00 0.00 N ATOM 0 H GLN A 853 -3.335 8.773 -9.678 1.00 0.00 H new ATOM 0 HA GLN A 853 -3.288 10.225 -7.354 1.00 0.00 H new ATOM 0 HB2 GLN A 853 -4.668 7.624 -8.092 1.00 0.00 H new ATOM 0 HB3 GLN A 853 -4.983 8.444 -6.576 1.00 0.00 H new ATOM 0 HG2 GLN A 853 -5.767 10.436 -7.764 1.00 0.00 H new ATOM 0 HG3 GLN A 853 -5.337 9.726 -9.308 1.00 0.00 H new ATOM 0 HE21 GLN A 853 -6.360 7.457 -9.700 1.00 0.00 H new ATOM 0 HE22 GLN A 853 -8.072 7.324 -9.285 1.00 0.00 H new ATOM 1080 N ALA A 854 -2.245 7.131 -6.775 1.00 0.00 N ATOM 1081 CA ALA A 854 -1.446 6.319 -5.865 1.00 0.00 C ATOM 1082 C ALA A 854 -0.121 7.001 -5.541 1.00 0.00 C ATOM 1083 O ALA A 854 0.173 7.287 -4.380 1.00 0.00 O ATOM 1084 CB ALA A 854 -1.201 4.942 -6.464 1.00 0.00 C ATOM 0 H ALA A 854 -2.669 6.611 -7.543 1.00 0.00 H new ATOM 0 HA ALA A 854 -2.003 6.205 -4.935 1.00 0.00 H new ATOM 0 HB1 ALA A 854 -0.603 4.346 -5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 854 -2.156 4.446 -6.638 1.00 0.00 H new ATOM 0 HB3 ALA A 854 -0.668 5.046 -7.409 1.00 0.00 H new ATOM 1090 N SER A 855 0.675 7.258 -6.573 1.00 0.00 N ATOM 1091 CA SER A 855 1.972 7.902 -6.397 1.00 0.00 C ATOM 1092 C SER A 855 1.891 9.008 -5.350 1.00 0.00 C ATOM 1093 O SER A 855 2.636 9.005 -4.370 1.00 0.00 O ATOM 1094 CB SER A 855 2.463 8.478 -7.727 1.00 0.00 C ATOM 1095 OG SER A 855 3.872 8.634 -7.725 1.00 0.00 O ATOM 0 H SER A 855 0.445 7.030 -7.540 1.00 0.00 H new ATOM 0 HA SER A 855 2.681 7.149 -6.051 1.00 0.00 H new ATOM 0 HB2 SER A 855 2.168 7.819 -8.544 1.00 0.00 H new ATOM 0 HB3 SER A 855 1.987 9.442 -7.907 1.00 0.00 H new ATOM 0 HG SER A 855 4.162 9.002 -8.586 1.00 0.00 H new ATOM 1101 N GLN A 856 0.981 9.953 -5.565 1.00 0.00 N ATOM 1102 CA GLN A 856 0.803 11.066 -4.640 1.00 0.00 C ATOM 1103 C GLN A 856 0.521 10.561 -3.229 1.00 0.00 C ATOM 1104 O GLN A 856 1.182 10.963 -2.272 1.00 0.00 O ATOM 1105 CB GLN A 856 -0.340 11.968 -5.109 1.00 0.00 C ATOM 1106 CG GLN A 856 -0.215 13.406 -4.631 1.00 0.00 C ATOM 1107 CD GLN A 856 0.995 14.111 -5.210 1.00 0.00 C ATOM 1108 OE1 GLN A 856 0.963 14.596 -6.341 1.00 0.00 O ATOM 1109 NE2 GLN A 856 2.072 14.171 -4.435 1.00 0.00 N ATOM 0 H GLN A 856 0.356 9.970 -6.371 1.00 0.00 H new ATOM 0 HA GLN A 856 1.728 11.642 -4.622 1.00 0.00 H new ATOM 0 HB2 GLN A 856 -0.376 11.958 -6.198 1.00 0.00 H new ATOM 0 HB3 GLN A 856 -1.285 11.557 -4.755 1.00 0.00 H new ATOM 0 HG2 GLN A 856 -1.116 13.955 -4.905 1.00 0.00 H new ATOM 0 HG3 GLN A 856 -0.152 13.419 -3.543 1.00 0.00 H new ATOM 0 HE21 GLN A 856 2.054 13.755 -3.504 1.00 0.00 H new ATOM 0 HE22 GLN A 856 2.917 14.633 -4.771 1.00 0.00 H new ATOM 1118 N ALA A 857 -0.465 9.678 -3.107 1.00 0.00 N ATOM 1119 CA ALA A 857 -0.833 9.118 -1.813 1.00 0.00 C ATOM 1120 C ALA A 857 0.389 8.565 -1.087 1.00 0.00 C ATOM 1121 O ALA A 857 0.455 8.586 0.143 1.00 0.00 O ATOM 1122 CB ALA A 857 -1.882 8.030 -1.988 1.00 0.00 C ATOM 0 H ALA A 857 -1.023 9.335 -3.889 1.00 0.00 H new ATOM 0 HA ALA A 857 -1.254 9.919 -1.205 1.00 0.00 H new ATOM 0 HB1 ALA A 857 -2.148 7.620 -1.013 1.00 0.00 H new ATOM 0 HB2 ALA A 857 -2.770 8.453 -2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 857 -1.481 7.236 -2.618 1.00 0.00 H new ATOM 1128 N VAL A 858 1.354 8.069 -1.855 1.00 0.00 N ATOM 1129 CA VAL A 858 2.574 7.511 -1.284 1.00 0.00 C ATOM 1130 C VAL A 858 3.483 8.611 -0.746 1.00 0.00 C ATOM 1131 O VAL A 858 3.883 8.585 0.417 1.00 0.00 O ATOM 1132 CB VAL A 858 3.351 6.681 -2.323 1.00 0.00 C ATOM 1133 CG1 VAL A 858 4.628 6.122 -1.715 1.00 0.00 C ATOM 1134 CG2 VAL A 858 2.478 5.562 -2.871 1.00 0.00 C ATOM 0 H VAL A 858 1.314 8.042 -2.874 1.00 0.00 H new ATOM 0 HA VAL A 858 2.271 6.861 -0.463 1.00 0.00 H new ATOM 0 HB VAL A 858 3.627 7.335 -3.150 1.00 0.00 H new ATOM 0 HG11 VAL A 858 5.163 5.539 -2.465 1.00 0.00 H new ATOM 0 HG12 VAL A 858 5.259 6.943 -1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 858 4.378 5.483 -0.868 1.00 0.00 H new ATOM 0 HG21 VAL A 858 3.043 4.986 -3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 858 2.169 4.909 -2.055 1.00 0.00 H new ATOM 0 HG23 VAL A 858 1.596 5.989 -3.347 1.00 0.00 H new ATOM 1144 N MET A 859 3.804 9.576 -1.601 1.00 0.00 N ATOM 1145 CA MET A 859 4.665 10.686 -1.211 1.00 0.00 C ATOM 1146 C MET A 859 4.050 11.472 -0.057 1.00 0.00 C ATOM 1147 O MET A 859 4.747 12.185 0.664 1.00 0.00 O ATOM 1148 CB MET A 859 4.908 11.614 -2.403 1.00 0.00 C ATOM 1149 CG MET A 859 6.067 11.180 -3.285 1.00 0.00 C ATOM 1150 SD MET A 859 5.907 11.769 -4.982 1.00 0.00 S ATOM 1151 CE MET A 859 6.919 10.575 -5.852 1.00 0.00 C ATOM 0 H MET A 859 3.481 9.612 -2.568 1.00 0.00 H new ATOM 0 HA MET A 859 5.618 10.275 -0.880 1.00 0.00 H new ATOM 0 HB2 MET A 859 4.001 11.662 -3.006 1.00 0.00 H new ATOM 0 HB3 MET A 859 5.100 12.622 -2.035 1.00 0.00 H new ATOM 0 HG2 MET A 859 7.000 11.552 -2.862 1.00 0.00 H new ATOM 0 HG3 MET A 859 6.130 10.092 -3.287 1.00 0.00 H new ATOM 0 HE1 MET A 859 6.920 10.806 -6.917 1.00 0.00 H new ATOM 0 HE2 MET A 859 7.939 10.616 -5.471 1.00 0.00 H new ATOM 0 HE3 MET A 859 6.515 9.575 -5.698 1.00 0.00 H new ATOM 1161 N LYS A 860 2.739 11.337 0.112 1.00 0.00 N ATOM 1162 CA LYS A 860 2.028 12.032 1.178 1.00 0.00 C ATOM 1163 C LYS A 860 1.938 11.164 2.429 1.00 0.00 C ATOM 1164 O LYS A 860 2.089 11.653 3.548 1.00 0.00 O ATOM 1165 CB LYS A 860 0.623 12.422 0.713 1.00 0.00 C ATOM 1166 CG LYS A 860 0.597 13.651 -0.180 1.00 0.00 C ATOM 1167 CD LYS A 860 0.706 14.931 0.631 1.00 0.00 C ATOM 1168 CE LYS A 860 0.585 16.163 -0.254 1.00 0.00 C ATOM 1169 NZ LYS A 860 0.430 17.408 0.548 1.00 0.00 N ATOM 0 H LYS A 860 2.147 10.752 -0.477 1.00 0.00 H new ATOM 0 HA LYS A 860 2.587 12.935 1.423 1.00 0.00 H new ATOM 0 HB2 LYS A 860 0.181 11.583 0.175 1.00 0.00 H new ATOM 0 HB3 LYS A 860 -0.002 12.605 1.587 1.00 0.00 H new ATOM 0 HG2 LYS A 860 1.419 13.600 -0.894 1.00 0.00 H new ATOM 0 HG3 LYS A 860 -0.327 13.663 -0.758 1.00 0.00 H new ATOM 0 HD2 LYS A 860 -0.075 14.949 1.391 1.00 0.00 H new ATOM 0 HD3 LYS A 860 1.661 14.951 1.155 1.00 0.00 H new ATOM 0 HE2 LYS A 860 1.470 16.245 -0.885 1.00 0.00 H new ATOM 0 HE3 LYS A 860 -0.271 16.050 -0.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 0.351 18.225 -0.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 -0.428 17.340 1.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 1.259 17.530 1.164 1.00 0.00 H new ATOM 1183 N MET A 861 1.694 9.872 2.231 1.00 0.00 N ATOM 1184 CA MET A 861 1.587 8.936 3.343 1.00 0.00 C ATOM 1185 C MET A 861 2.968 8.555 3.868 1.00 0.00 C ATOM 1186 O MET A 861 3.264 8.734 5.050 1.00 0.00 O ATOM 1187 CB MET A 861 0.830 7.679 2.909 1.00 0.00 C ATOM 1188 CG MET A 861 -0.676 7.872 2.837 1.00 0.00 C ATOM 1189 SD MET A 861 -1.587 6.348 3.150 1.00 0.00 S ATOM 1190 CE MET A 861 -2.985 6.974 4.078 1.00 0.00 C ATOM 0 H MET A 861 1.567 9.450 1.311 1.00 0.00 H new ATOM 0 HA MET A 861 1.035 9.426 4.145 1.00 0.00 H new ATOM 0 HB2 MET A 861 1.195 7.364 1.931 1.00 0.00 H new ATOM 0 HB3 MET A 861 1.052 6.872 3.607 1.00 0.00 H new ATOM 0 HG2 MET A 861 -0.977 8.626 3.564 1.00 0.00 H new ATOM 0 HG3 MET A 861 -0.943 8.254 1.852 1.00 0.00 H new ATOM 0 HE1 MET A 861 -3.056 6.446 5.029 1.00 0.00 H new ATOM 0 HE2 MET A 861 -2.851 8.040 4.264 1.00 0.00 H new ATOM 0 HE3 MET A 861 -3.900 6.818 3.507 1.00 0.00 H new ATOM 1200 N ASP A 862 3.809 8.031 2.983 1.00 0.00 N ATOM 1201 CA ASP A 862 5.159 7.626 3.357 1.00 0.00 C ATOM 1202 C ASP A 862 5.749 8.588 4.384 1.00 0.00 C ATOM 1203 O ASP A 862 5.934 9.772 4.107 1.00 0.00 O ATOM 1204 CB ASP A 862 6.057 7.566 2.121 1.00 0.00 C ATOM 1205 CG ASP A 862 6.735 8.891 1.833 1.00 0.00 C ATOM 1206 OD1 ASP A 862 6.041 9.827 1.385 1.00 0.00 O ATOM 1207 OD2 ASP A 862 7.960 8.992 2.054 1.00 0.00 O ATOM 0 H ASP A 862 3.579 7.877 2.001 1.00 0.00 H new ATOM 0 HA ASP A 862 5.104 6.634 3.804 1.00 0.00 H new ATOM 0 HB2 ASP A 862 6.816 6.796 2.264 1.00 0.00 H new ATOM 0 HB3 ASP A 862 5.462 7.270 1.257 1.00 0.00 H new ATOM 1212 N GLY A 863 6.043 8.069 5.573 1.00 0.00 N ATOM 1213 CA GLY A 863 6.608 8.895 6.623 1.00 0.00 C ATOM 1214 C GLY A 863 5.580 9.811 7.257 1.00 0.00 C ATOM 1215 O GLY A 863 5.856 10.984 7.510 1.00 0.00 O ATOM 0 H GLY A 863 5.900 7.092 5.827 1.00 0.00 H new ATOM 0 HA2 GLY A 863 7.042 8.255 7.391 1.00 0.00 H new ATOM 0 HA3 GLY A 863 7.420 9.495 6.212 1.00 0.00 H new ATOM 1219 N MET A 864 4.391 9.276 7.513 1.00 0.00 N ATOM 1220 CA MET A 864 3.318 10.054 8.120 1.00 0.00 C ATOM 1221 C MET A 864 3.083 9.623 9.564 1.00 0.00 C ATOM 1222 O MET A 864 3.359 8.481 9.935 1.00 0.00 O ATOM 1223 CB MET A 864 2.027 9.900 7.314 1.00 0.00 C ATOM 1224 CG MET A 864 1.511 8.471 7.261 1.00 0.00 C ATOM 1225 SD MET A 864 -0.006 8.315 6.299 1.00 0.00 S ATOM 1226 CE MET A 864 -1.063 9.491 7.142 1.00 0.00 C ATOM 0 H MET A 864 4.146 8.307 7.310 1.00 0.00 H new ATOM 0 HA MET A 864 3.617 11.102 8.116 1.00 0.00 H new ATOM 0 HB2 MET A 864 1.259 10.539 7.749 1.00 0.00 H new ATOM 0 HB3 MET A 864 2.199 10.254 6.297 1.00 0.00 H new ATOM 0 HG2 MET A 864 2.278 7.828 6.829 1.00 0.00 H new ATOM 0 HG3 MET A 864 1.331 8.116 8.276 1.00 0.00 H new ATOM 0 HE1 MET A 864 -2.097 9.149 7.096 1.00 0.00 H new ATOM 0 HE2 MET A 864 -0.755 9.575 8.184 1.00 0.00 H new ATOM 0 HE3 MET A 864 -0.981 10.465 6.660 1.00 0.00 H new ATOM 1236 N THR A 865 2.574 10.543 10.377 1.00 0.00 N ATOM 1237 CA THR A 865 2.304 10.258 11.781 1.00 0.00 C ATOM 1238 C THR A 865 0.849 9.854 11.990 1.00 0.00 C ATOM 1239 O THR A 865 -0.064 10.498 11.473 1.00 0.00 O ATOM 1240 CB THR A 865 2.621 11.474 12.672 1.00 0.00 C ATOM 1241 OG1 THR A 865 3.802 12.132 12.201 1.00 0.00 O ATOM 1242 CG2 THR A 865 2.814 11.048 14.120 1.00 0.00 C ATOM 0 H THR A 865 2.340 11.493 10.087 1.00 0.00 H new ATOM 0 HA THR A 865 2.952 9.430 12.066 1.00 0.00 H new ATOM 0 HB THR A 865 1.778 12.163 12.622 1.00 0.00 H new ATOM 0 HG1 THR A 865 3.996 12.905 12.772 1.00 0.00 H new ATOM 0 HG21 THR A 865 3.037 11.923 14.730 1.00 0.00 H new ATOM 0 HG22 THR A 865 1.903 10.574 14.484 1.00 0.00 H new ATOM 0 HG23 THR A 865 3.641 10.341 14.184 1.00 0.00 H new ATOM 1250 N ILE A 866 0.640 8.785 12.752 1.00 0.00 N ATOM 1251 CA ILE A 866 -0.705 8.298 13.031 1.00 0.00 C ATOM 1252 C ILE A 866 -0.790 7.688 14.426 1.00 0.00 C ATOM 1253 O ILE A 866 -0.167 6.665 14.708 1.00 0.00 O ATOM 1254 CB ILE A 866 -1.148 7.247 11.996 1.00 0.00 C ATOM 1255 CG1 ILE A 866 -1.232 7.875 10.603 1.00 0.00 C ATOM 1256 CG2 ILE A 866 -2.488 6.645 12.393 1.00 0.00 C ATOM 1257 CD1 ILE A 866 -1.349 6.859 9.488 1.00 0.00 C ATOM 0 H ILE A 866 1.385 8.240 13.187 1.00 0.00 H new ATOM 0 HA ILE A 866 -1.371 9.159 12.972 1.00 0.00 H new ATOM 0 HB ILE A 866 -0.406 6.449 11.970 1.00 0.00 H new ATOM 0 HG12 ILE A 866 -2.092 8.544 10.566 1.00 0.00 H new ATOM 0 HG13 ILE A 866 -0.345 8.486 10.435 1.00 0.00 H new ATOM 0 HG21 ILE A 866 -2.788 5.904 11.652 1.00 0.00 H new ATOM 0 HG22 ILE A 866 -2.397 6.167 13.368 1.00 0.00 H new ATOM 0 HG23 ILE A 866 -3.240 7.432 12.444 1.00 0.00 H new ATOM 0 HD11 ILE A 866 -1.404 7.375 8.530 1.00 0.00 H new ATOM 0 HD12 ILE A 866 -0.477 6.205 9.498 1.00 0.00 H new ATOM 0 HD13 ILE A 866 -2.251 6.263 9.632 1.00 0.00 H new ATOM 1269 N LYS A 867 -1.567 8.324 15.296 1.00 0.00 N ATOM 1270 CA LYS A 867 -1.739 7.844 16.663 1.00 0.00 C ATOM 1271 C LYS A 867 -0.395 7.748 17.378 1.00 0.00 C ATOM 1272 O LYS A 867 -0.168 6.835 18.171 1.00 0.00 O ATOM 1273 CB LYS A 867 -2.427 6.478 16.663 1.00 0.00 C ATOM 1274 CG LYS A 867 -3.812 6.494 16.040 1.00 0.00 C ATOM 1275 CD LYS A 867 -4.858 7.001 17.019 1.00 0.00 C ATOM 1276 CE LYS A 867 -6.093 7.519 16.297 1.00 0.00 C ATOM 1277 NZ LYS A 867 -7.310 7.436 17.151 1.00 0.00 N ATOM 0 H LYS A 867 -2.088 9.174 15.079 1.00 0.00 H new ATOM 0 HA LYS A 867 -2.365 8.559 17.197 1.00 0.00 H new ATOM 0 HB2 LYS A 867 -1.803 5.766 16.122 1.00 0.00 H new ATOM 0 HB3 LYS A 867 -2.504 6.119 17.689 1.00 0.00 H new ATOM 0 HG2 LYS A 867 -3.806 7.127 15.153 1.00 0.00 H new ATOM 0 HG3 LYS A 867 -4.076 5.489 15.712 1.00 0.00 H new ATOM 0 HD2 LYS A 867 -5.143 6.197 17.698 1.00 0.00 H new ATOM 0 HD3 LYS A 867 -4.431 7.797 17.629 1.00 0.00 H new ATOM 0 HE2 LYS A 867 -5.930 8.554 15.996 1.00 0.00 H new ATOM 0 HE3 LYS A 867 -6.249 6.943 15.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 867 -8.130 7.798 16.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 867 -7.480 6.445 17.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 867 -7.171 8.007 18.009 1.00 0.00 H new ATOM 1291 N GLU A 868 0.492 8.697 17.092 1.00 0.00 N ATOM 1292 CA GLU A 868 1.813 8.718 17.710 1.00 0.00 C ATOM 1293 C GLU A 868 2.663 7.551 17.215 1.00 0.00 C ATOM 1294 O GLU A 868 3.285 6.843 18.006 1.00 0.00 O ATOM 1295 CB GLU A 868 1.689 8.662 19.234 1.00 0.00 C ATOM 1296 CG GLU A 868 2.820 9.367 19.963 1.00 0.00 C ATOM 1297 CD GLU A 868 2.883 10.849 19.646 1.00 0.00 C ATOM 1298 OE1 GLU A 868 2.150 11.625 20.294 1.00 0.00 O ATOM 1299 OE2 GLU A 868 3.665 11.232 18.752 1.00 0.00 O ATOM 0 H GLU A 868 0.320 9.460 16.437 1.00 0.00 H new ATOM 0 HA GLU A 868 2.304 9.649 17.427 1.00 0.00 H new ATOM 0 HB2 GLU A 868 0.741 9.112 19.530 1.00 0.00 H new ATOM 0 HB3 GLU A 868 1.659 7.619 19.550 1.00 0.00 H new ATOM 0 HG2 GLU A 868 2.694 9.234 21.037 1.00 0.00 H new ATOM 0 HG3 GLU A 868 3.768 8.901 19.693 1.00 0.00 H new ATOM 1306 N ASN A 869 2.685 7.358 15.900 1.00 0.00 N ATOM 1307 CA ASN A 869 3.458 6.278 15.298 1.00 0.00 C ATOM 1308 C ASN A 869 3.788 6.591 13.842 1.00 0.00 C ATOM 1309 O ASN A 869 2.905 6.608 12.985 1.00 0.00 O ATOM 1310 CB ASN A 869 2.685 4.960 15.386 1.00 0.00 C ATOM 1311 CG ASN A 869 3.586 3.750 15.235 1.00 0.00 C ATOM 1312 OD1 ASN A 869 4.324 3.630 14.256 1.00 0.00 O ATOM 1313 ND2 ASN A 869 3.530 2.846 16.205 1.00 0.00 N ATOM 0 H ASN A 869 2.176 7.936 15.231 1.00 0.00 H new ATOM 0 HA ASN A 869 4.393 6.181 15.851 1.00 0.00 H new ATOM 0 HB2 ASN A 869 2.169 4.908 16.345 1.00 0.00 H new ATOM 0 HB3 ASN A 869 1.919 4.939 14.610 1.00 0.00 H new ATOM 0 HD21 ASN A 869 4.113 2.011 16.158 1.00 0.00 H new ATOM 0 HD22 ASN A 869 2.904 2.987 16.998 1.00 0.00 H new ATOM 1320 N ILE A 870 5.066 6.837 13.571 1.00 0.00 N ATOM 1321 CA ILE A 870 5.513 7.147 12.219 1.00 0.00 C ATOM 1322 C ILE A 870 5.403 5.927 11.310 1.00 0.00 C ATOM 1323 O ILE A 870 6.116 4.940 11.491 1.00 0.00 O ATOM 1324 CB ILE A 870 6.968 7.651 12.210 1.00 0.00 C ATOM 1325 CG1 ILE A 870 7.023 9.125 12.616 1.00 0.00 C ATOM 1326 CG2 ILE A 870 7.589 7.452 10.835 1.00 0.00 C ATOM 1327 CD1 ILE A 870 6.949 9.342 14.111 1.00 0.00 C ATOM 0 H ILE A 870 5.809 6.828 14.270 1.00 0.00 H new ATOM 0 HA ILE A 870 4.861 7.936 11.844 1.00 0.00 H new ATOM 0 HB ILE A 870 7.542 7.072 12.934 1.00 0.00 H new ATOM 0 HG12 ILE A 870 7.947 9.563 12.238 1.00 0.00 H new ATOM 0 HG13 ILE A 870 6.200 9.656 12.139 1.00 0.00 H new ATOM 0 HG21 ILE A 870 8.617 7.813 10.845 1.00 0.00 H new ATOM 0 HG22 ILE A 870 7.579 6.392 10.581 1.00 0.00 H new ATOM 0 HG23 ILE A 870 7.016 8.008 10.093 1.00 0.00 H new ATOM 0 HD11 ILE A 870 6.993 10.410 14.326 1.00 0.00 H new ATOM 0 HD12 ILE A 870 6.013 8.934 14.492 1.00 0.00 H new ATOM 0 HD13 ILE A 870 7.787 8.839 14.594 1.00 0.00 H new ATOM 1339 N ILE A 871 4.507 6.004 10.332 1.00 0.00 N ATOM 1340 CA ILE A 871 4.306 4.908 9.393 1.00 0.00 C ATOM 1341 C ILE A 871 5.012 5.181 8.070 1.00 0.00 C ATOM 1342 O ILE A 871 5.062 6.319 7.603 1.00 0.00 O ATOM 1343 CB ILE A 871 2.809 4.665 9.123 1.00 0.00 C ATOM 1344 CG1 ILE A 871 2.274 5.700 8.131 1.00 0.00 C ATOM 1345 CG2 ILE A 871 2.022 4.712 10.424 1.00 0.00 C ATOM 1346 CD1 ILE A 871 2.628 5.398 6.692 1.00 0.00 C ATOM 0 H ILE A 871 3.909 6.814 10.169 1.00 0.00 H new ATOM 0 HA ILE A 871 4.733 4.017 9.853 1.00 0.00 H new ATOM 0 HB ILE A 871 2.689 3.674 8.685 1.00 0.00 H new ATOM 0 HG12 ILE A 871 1.190 5.755 8.226 1.00 0.00 H new ATOM 0 HG13 ILE A 871 2.668 6.682 8.395 1.00 0.00 H new ATOM 0 HG21 ILE A 871 0.966 4.539 10.217 1.00 0.00 H new ATOM 0 HG22 ILE A 871 2.391 3.941 11.100 1.00 0.00 H new ATOM 0 HG23 ILE A 871 2.145 5.690 10.888 1.00 0.00 H new ATOM 0 HD11 ILE A 871 2.216 6.173 6.046 1.00 0.00 H new ATOM 0 HD12 ILE A 871 3.712 5.372 6.582 1.00 0.00 H new ATOM 0 HD13 ILE A 871 2.211 4.431 6.410 1.00 0.00 H new ATOM 1358 N LYS A 872 5.557 4.129 7.468 1.00 0.00 N ATOM 1359 CA LYS A 872 6.258 4.253 6.196 1.00 0.00 C ATOM 1360 C LYS A 872 5.418 3.690 5.054 1.00 0.00 C ATOM 1361 O LYS A 872 4.572 2.820 5.263 1.00 0.00 O ATOM 1362 CB LYS A 872 7.604 3.528 6.259 1.00 0.00 C ATOM 1363 CG LYS A 872 8.520 3.842 5.089 1.00 0.00 C ATOM 1364 CD LYS A 872 9.960 3.460 5.390 1.00 0.00 C ATOM 1365 CE LYS A 872 10.936 4.230 4.513 1.00 0.00 C ATOM 1366 NZ LYS A 872 10.919 3.744 3.106 1.00 0.00 N ATOM 0 H LYS A 872 5.526 3.180 7.841 1.00 0.00 H new ATOM 0 HA LYS A 872 6.431 5.312 6.007 1.00 0.00 H new ATOM 0 HB2 LYS A 872 8.109 3.797 7.187 1.00 0.00 H new ATOM 0 HB3 LYS A 872 7.427 2.453 6.292 1.00 0.00 H new ATOM 0 HG2 LYS A 872 8.178 3.306 4.204 1.00 0.00 H new ATOM 0 HG3 LYS A 872 8.465 4.906 4.858 1.00 0.00 H new ATOM 0 HD2 LYS A 872 10.178 3.658 6.439 1.00 0.00 H new ATOM 0 HD3 LYS A 872 10.094 2.390 5.233 1.00 0.00 H new ATOM 0 HE2 LYS A 872 10.685 5.290 4.534 1.00 0.00 H new ATOM 0 HE3 LYS A 872 11.943 4.133 4.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 872 11.597 4.294 2.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 872 11.184 2.739 3.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 872 9.964 3.860 2.710 1.00 0.00 H new ATOM 1380 N VAL A 873 5.659 4.189 3.846 1.00 0.00 N ATOM 1381 CA VAL A 873 4.927 3.733 2.670 1.00 0.00 C ATOM 1382 C VAL A 873 5.859 3.553 1.477 1.00 0.00 C ATOM 1383 O VAL A 873 6.831 4.291 1.320 1.00 0.00 O ATOM 1384 CB VAL A 873 3.807 4.720 2.289 1.00 0.00 C ATOM 1385 CG1 VAL A 873 2.988 4.176 1.128 1.00 0.00 C ATOM 1386 CG2 VAL A 873 2.920 5.008 3.490 1.00 0.00 C ATOM 0 H VAL A 873 6.356 4.909 3.656 1.00 0.00 H new ATOM 0 HA VAL A 873 4.482 2.772 2.927 1.00 0.00 H new ATOM 0 HB VAL A 873 4.264 5.657 1.972 1.00 0.00 H new ATOM 0 HG11 VAL A 873 2.202 4.887 0.873 1.00 0.00 H new ATOM 0 HG12 VAL A 873 3.636 4.026 0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 873 2.539 3.225 1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 873 2.134 5.707 3.203 1.00 0.00 H new ATOM 0 HG22 VAL A 873 2.469 4.079 3.840 1.00 0.00 H new ATOM 0 HG23 VAL A 873 3.520 5.444 4.289 1.00 0.00 H new ATOM 1396 N ALA A 874 5.555 2.567 0.639 1.00 0.00 N ATOM 1397 CA ALA A 874 6.364 2.292 -0.542 1.00 0.00 C ATOM 1398 C ALA A 874 5.559 1.540 -1.596 1.00 0.00 C ATOM 1399 O ALA A 874 4.580 0.865 -1.277 1.00 0.00 O ATOM 1400 CB ALA A 874 7.605 1.499 -0.158 1.00 0.00 C ATOM 0 H ALA A 874 4.755 1.946 0.756 1.00 0.00 H new ATOM 0 HA ALA A 874 6.673 3.245 -0.971 1.00 0.00 H new ATOM 0 HB1 ALA A 874 8.200 1.300 -1.049 1.00 0.00 H new ATOM 0 HB2 ALA A 874 8.198 2.073 0.554 1.00 0.00 H new ATOM 0 HB3 ALA A 874 7.307 0.554 0.297 1.00 0.00 H new ATOM 1406 N ILE A 875 5.977 1.662 -2.851 1.00 0.00 N ATOM 1407 CA ILE A 875 5.294 0.993 -3.951 1.00 0.00 C ATOM 1408 C ILE A 875 5.333 -0.522 -3.783 1.00 0.00 C ATOM 1409 O ILE A 875 6.404 -1.129 -3.775 1.00 0.00 O ATOM 1410 CB ILE A 875 5.918 1.363 -5.310 1.00 0.00 C ATOM 1411 CG1 ILE A 875 5.871 2.878 -5.521 1.00 0.00 C ATOM 1412 CG2 ILE A 875 5.196 0.643 -6.439 1.00 0.00 C ATOM 1413 CD1 ILE A 875 4.473 3.416 -5.727 1.00 0.00 C ATOM 0 H ILE A 875 6.785 2.218 -3.131 1.00 0.00 H new ATOM 0 HA ILE A 875 4.258 1.332 -3.931 1.00 0.00 H new ATOM 0 HB ILE A 875 6.961 1.046 -5.312 1.00 0.00 H new ATOM 0 HG12 ILE A 875 6.318 3.371 -4.658 1.00 0.00 H new ATOM 0 HG13 ILE A 875 6.482 3.135 -6.386 1.00 0.00 H new ATOM 0 HG21 ILE A 875 5.649 0.915 -7.392 1.00 0.00 H new ATOM 0 HG22 ILE A 875 5.276 -0.434 -6.294 1.00 0.00 H new ATOM 0 HG23 ILE A 875 4.145 0.932 -6.441 1.00 0.00 H new ATOM 0 HD11 ILE A 875 4.516 4.496 -5.870 1.00 0.00 H new ATOM 0 HD12 ILE A 875 4.030 2.951 -6.608 1.00 0.00 H new ATOM 0 HD13 ILE A 875 3.864 3.190 -4.852 1.00 0.00 H new ATOM 1425 N SER A 876 4.157 -1.127 -3.650 1.00 0.00 N ATOM 1426 CA SER A 876 4.056 -2.572 -3.479 1.00 0.00 C ATOM 1427 C SER A 876 5.138 -3.291 -4.280 1.00 0.00 C ATOM 1428 O SER A 876 5.448 -2.908 -5.407 1.00 0.00 O ATOM 1429 CB SER A 876 2.674 -3.063 -3.913 1.00 0.00 C ATOM 1430 OG SER A 876 2.630 -3.293 -5.311 1.00 0.00 O ATOM 0 H SER A 876 3.261 -0.639 -3.657 1.00 0.00 H new ATOM 0 HA SER A 876 4.199 -2.799 -2.422 1.00 0.00 H new ATOM 0 HB2 SER A 876 2.428 -3.983 -3.382 1.00 0.00 H new ATOM 0 HB3 SER A 876 1.920 -2.325 -3.639 1.00 0.00 H new ATOM 0 HG SER A 876 1.990 -4.009 -5.505 1.00 0.00 H new