USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=18 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 856 GLN : amide:sc= -0.0432 K(o=-0.043,f=-1.3!) USER MOD Set 1.2: A 860 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 835 ASN : amide:sc= -1.52 K(o=-2.5,f=-10!) USER MOD Set 2.2: A 841 LYS NZ :NH3+ 138:sc= -0.953 (180deg=-1.82) USER MOD Set 3.1: A 821 CYS SG : rot 74:sc= 0.829 USER MOD Set 3.2: A 861 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 801 HIS : no HE2:sc= -2.07! C(o=-2.1!,f=-4.3!) USER MOD Single : A 802 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 806 SER OG : rot 180:sc= 0 USER MOD Single : A 811 SER OG : rot 180:sc= 0 USER MOD Single : A 812 CYS SG : rot 180:sc= -0.227 USER MOD Single : A 813 THR OG1 : rot 180:sc= -0.204 USER MOD Single : A 814 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0484) USER MOD Single : A 822 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 824 HIS : no HD1:sc= 0.122 K(o=0.12,f=-0.54) USER MOD Single : A 826 THR OG1 : rot 180:sc= 0 USER MOD Single : A 828 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0295) USER MOD Single : A 834 THR OG1 : rot 180:sc= 0 USER MOD Single : A 839 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 -148:sc= -0.102 USER MOD Single : A 850 ASN : amide:sc= 0.0455 K(o=0.046,f=-3.1!) USER MOD Single : A 852 SER OG : rot 180:sc= 0 USER MOD Single : A 853 GLN : amide:sc= -1.45 K(o=-1.5,f=-7.2!) USER MOD Single : A 855 SER OG : rot 180:sc= 0 USER MOD Single : A 859 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 864 MET CE :methyl -149:sc= -0.449 (180deg=-1.6!) 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= -0.0283 K(o=-0.028,f=-1.2) USER MOD Single : A 872 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 876 SER OG : rot -57:sc= -1.15 USER MOD ----------------------------------------------------------------- ATOM 239 N HIS A 801 -0.193 0.299 -9.036 1.00 0.00 N ATOM 240 CA HIS A 801 -1.424 0.875 -8.505 1.00 0.00 C ATOM 241 C HIS A 801 -1.587 0.539 -7.026 1.00 0.00 C ATOM 242 O HIS A 801 -2.114 1.338 -6.251 1.00 0.00 O ATOM 243 CB HIS A 801 -2.631 0.365 -9.292 1.00 0.00 C ATOM 244 CG HIS A 801 -2.764 -1.127 -9.285 1.00 0.00 C ATOM 245 ND1 HIS A 801 -1.695 -1.979 -9.463 1.00 0.00 N ATOM 246 CD2 HIS A 801 -3.850 -1.918 -9.117 1.00 0.00 C ATOM 247 CE1 HIS A 801 -2.117 -3.229 -9.407 1.00 0.00 C ATOM 248 NE2 HIS A 801 -3.421 -3.220 -9.198 1.00 0.00 N ATOM 0 HA HIS A 801 -1.364 1.958 -8.609 1.00 0.00 H new ATOM 0 HB2 HIS A 801 -3.538 0.804 -8.876 1.00 0.00 H new ATOM 0 HB3 HIS A 801 -2.554 0.710 -10.323 1.00 0.00 H new ATOM 0 HD1 HIS A 801 -0.729 -1.689 -9.614 1.00 0.00 H new ATOM 0 HD2 HIS A 801 -4.864 -1.587 -8.950 1.00 0.00 H new ATOM 0 HE1 HIS A 801 -1.500 -4.109 -9.514 1.00 0.00 H new ATOM 256 N LYS A 802 -1.133 -0.648 -6.640 1.00 0.00 N ATOM 257 CA LYS A 802 -1.228 -1.091 -5.254 1.00 0.00 C ATOM 258 C LYS A 802 -0.112 -0.482 -4.411 1.00 0.00 C ATOM 259 O LYS A 802 0.968 -0.178 -4.918 1.00 0.00 O ATOM 260 CB LYS A 802 -1.162 -2.618 -5.179 1.00 0.00 C ATOM 261 CG LYS A 802 -2.215 -3.314 -6.024 1.00 0.00 C ATOM 262 CD LYS A 802 -1.895 -4.788 -6.211 1.00 0.00 C ATOM 263 CE LYS A 802 -2.469 -5.631 -5.083 1.00 0.00 C ATOM 264 NZ LYS A 802 -1.647 -6.845 -4.824 1.00 0.00 N ATOM 0 H LYS A 802 -0.695 -1.322 -7.268 1.00 0.00 H new ATOM 0 HA LYS A 802 -2.186 -0.755 -4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 802 -0.174 -2.947 -5.501 1.00 0.00 H new ATOM 0 HB3 LYS A 802 -1.278 -2.928 -4.140 1.00 0.00 H new ATOM 0 HG2 LYS A 802 -3.191 -3.210 -5.549 1.00 0.00 H new ATOM 0 HG3 LYS A 802 -2.281 -2.829 -6.998 1.00 0.00 H new ATOM 0 HD2 LYS A 802 -2.298 -5.131 -7.164 1.00 0.00 H new ATOM 0 HD3 LYS A 802 -0.814 -4.924 -6.255 1.00 0.00 H new ATOM 0 HE2 LYS A 802 -2.527 -5.031 -4.175 1.00 0.00 H new ATOM 0 HE3 LYS A 802 -3.487 -5.929 -5.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 802 -2.071 -7.393 -4.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 802 -1.612 -7.431 -5.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 802 -0.682 -6.561 -4.560 1.00 0.00 H new ATOM 278 N LEU A 803 -0.379 -0.307 -3.121 1.00 0.00 N ATOM 279 CA LEU A 803 0.603 0.265 -2.207 1.00 0.00 C ATOM 280 C LEU A 803 0.859 -0.670 -1.029 1.00 0.00 C ATOM 281 O LEU A 803 0.039 -1.534 -0.719 1.00 0.00 O ATOM 282 CB LEU A 803 0.124 1.625 -1.697 1.00 0.00 C ATOM 283 CG LEU A 803 -0.397 2.594 -2.760 1.00 0.00 C ATOM 284 CD1 LEU A 803 -1.248 3.680 -2.121 1.00 0.00 C ATOM 285 CD2 LEU A 803 0.760 3.208 -3.534 1.00 0.00 C ATOM 0 H LEU A 803 -1.268 -0.553 -2.685 1.00 0.00 H new ATOM 0 HA LEU A 803 1.537 0.397 -2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 803 -0.667 1.459 -0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 803 0.949 2.104 -1.170 1.00 0.00 H new ATOM 0 HG LEU A 803 -1.021 2.036 -3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 803 -1.610 4.360 -2.892 1.00 0.00 H new ATOM 0 HD12 LEU A 803 -2.097 3.224 -1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 803 -0.648 4.235 -1.400 1.00 0.00 H new ATOM 0 HD21 LEU A 803 0.371 3.895 -4.286 1.00 0.00 H new ATOM 0 HD22 LEU A 803 1.409 3.751 -2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 803 1.330 2.418 -4.024 1.00 0.00 H new ATOM 297 N PHE A 804 2.002 -0.490 -0.375 1.00 0.00 N ATOM 298 CA PHE A 804 2.367 -1.316 0.769 1.00 0.00 C ATOM 299 C PHE A 804 2.769 -0.450 1.959 1.00 0.00 C ATOM 300 O PHE A 804 3.781 0.250 1.917 1.00 0.00 O ATOM 301 CB PHE A 804 3.513 -2.260 0.400 1.00 0.00 C ATOM 302 CG PHE A 804 4.294 -2.748 1.586 1.00 0.00 C ATOM 303 CD1 PHE A 804 5.325 -1.986 2.115 1.00 0.00 C ATOM 304 CD2 PHE A 804 3.998 -3.967 2.174 1.00 0.00 C ATOM 305 CE1 PHE A 804 6.045 -2.434 3.206 1.00 0.00 C ATOM 306 CE2 PHE A 804 4.715 -4.419 3.265 1.00 0.00 C ATOM 307 CZ PHE A 804 5.739 -3.651 3.783 1.00 0.00 C ATOM 0 H PHE A 804 2.691 0.221 -0.618 1.00 0.00 H new ATOM 0 HA PHE A 804 1.496 -1.907 1.050 1.00 0.00 H new ATOM 0 HB2 PHE A 804 3.108 -3.118 -0.136 1.00 0.00 H new ATOM 0 HB3 PHE A 804 4.189 -1.747 -0.284 1.00 0.00 H new ATOM 0 HD1 PHE A 804 5.568 -1.033 1.670 1.00 0.00 H new ATOM 0 HD2 PHE A 804 3.197 -4.571 1.775 1.00 0.00 H new ATOM 0 HE1 PHE A 804 6.847 -1.832 3.608 1.00 0.00 H new ATOM 0 HE2 PHE A 804 4.475 -5.372 3.712 1.00 0.00 H new ATOM 0 HZ PHE A 804 6.299 -4.001 4.637 1.00 0.00 H new ATOM 317 N ILE A 805 1.970 -0.503 3.019 1.00 0.00 N ATOM 318 CA ILE A 805 2.242 0.275 4.221 1.00 0.00 C ATOM 319 C ILE A 805 2.701 -0.622 5.365 1.00 0.00 C ATOM 320 O ILE A 805 2.311 -1.787 5.449 1.00 0.00 O ATOM 321 CB ILE A 805 1.002 1.069 4.671 1.00 0.00 C ATOM 322 CG1 ILE A 805 0.317 1.714 3.465 1.00 0.00 C ATOM 323 CG2 ILE A 805 1.391 2.126 5.694 1.00 0.00 C ATOM 324 CD1 ILE A 805 -0.768 2.699 3.841 1.00 0.00 C ATOM 0 H ILE A 805 1.128 -1.077 3.070 1.00 0.00 H new ATOM 0 HA ILE A 805 3.039 0.975 3.970 1.00 0.00 H new ATOM 0 HB ILE A 805 0.299 0.380 5.139 1.00 0.00 H new ATOM 0 HG12 ILE A 805 1.067 2.225 2.862 1.00 0.00 H new ATOM 0 HG13 ILE A 805 -0.115 0.931 2.841 1.00 0.00 H new ATOM 0 HG21 ILE A 805 0.503 2.678 6.002 1.00 0.00 H new ATOM 0 HG22 ILE A 805 1.838 1.644 6.563 1.00 0.00 H new ATOM 0 HG23 ILE A 805 2.111 2.814 5.251 1.00 0.00 H new ATOM 0 HD11 ILE A 805 -1.210 3.117 2.936 1.00 0.00 H new ATOM 0 HD12 ILE A 805 -1.539 2.188 4.419 1.00 0.00 H new ATOM 0 HD13 ILE A 805 -0.339 3.502 4.440 1.00 0.00 H new ATOM 336 N SER A 806 3.529 -0.071 6.247 1.00 0.00 N ATOM 337 CA SER A 806 4.043 -0.823 7.386 1.00 0.00 C ATOM 338 C SER A 806 4.282 0.097 8.580 1.00 0.00 C ATOM 339 O SER A 806 4.471 1.302 8.421 1.00 0.00 O ATOM 340 CB SER A 806 5.342 -1.537 7.009 1.00 0.00 C ATOM 341 OG SER A 806 6.354 -0.607 6.664 1.00 0.00 O ATOM 0 H SER A 806 3.858 0.893 6.195 1.00 0.00 H new ATOM 0 HA SER A 806 3.297 -1.567 7.666 1.00 0.00 H new ATOM 0 HB2 SER A 806 5.678 -2.152 7.844 1.00 0.00 H new ATOM 0 HB3 SER A 806 5.161 -2.210 6.171 1.00 0.00 H new ATOM 0 HG SER A 806 7.174 -1.089 6.429 1.00 0.00 H new ATOM 347 N GLY A 807 4.273 -0.482 9.776 1.00 0.00 N ATOM 348 CA GLY A 807 4.490 0.299 10.980 1.00 0.00 C ATOM 349 C GLY A 807 3.236 1.015 11.441 1.00 0.00 C ATOM 350 O GLY A 807 3.307 2.107 12.005 1.00 0.00 O ATOM 0 H GLY A 807 4.119 -1.478 9.933 1.00 0.00 H new ATOM 0 HA2 GLY A 807 4.844 -0.357 11.776 1.00 0.00 H new ATOM 0 HA3 GLY A 807 5.276 1.031 10.797 1.00 0.00 H new ATOM 354 N LEU A 808 2.083 0.400 11.199 1.00 0.00 N ATOM 355 CA LEU A 808 0.806 0.986 11.592 1.00 0.00 C ATOM 356 C LEU A 808 0.401 0.523 12.988 1.00 0.00 C ATOM 357 O LEU A 808 0.627 -0.622 13.379 1.00 0.00 O ATOM 358 CB LEU A 808 -0.281 0.612 10.583 1.00 0.00 C ATOM 359 CG LEU A 808 -0.181 1.280 9.211 1.00 0.00 C ATOM 360 CD1 LEU A 808 -1.112 0.601 8.218 1.00 0.00 C ATOM 361 CD2 LEU A 808 -0.501 2.764 9.315 1.00 0.00 C ATOM 0 H LEU A 808 2.006 -0.504 10.733 1.00 0.00 H new ATOM 0 HA LEU A 808 0.921 2.070 11.608 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -0.261 -0.469 10.441 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -1.251 0.859 11.015 1.00 0.00 H new ATOM 0 HG LEU A 808 0.842 1.174 8.851 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -1.027 1.090 7.247 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -0.837 -0.449 8.121 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -2.140 0.675 8.573 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -0.425 3.223 8.329 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -1.514 2.892 9.697 1.00 0.00 H new ATOM 0 HD23 LEU A 808 0.206 3.242 9.993 1.00 0.00 H new ATOM 373 N PRO A 809 -0.214 1.433 13.758 1.00 0.00 N ATOM 374 CA PRO A 809 -0.667 1.141 15.121 1.00 0.00 C ATOM 375 C PRO A 809 -1.848 0.177 15.145 1.00 0.00 C ATOM 376 O PRO A 809 -2.739 0.249 14.298 1.00 0.00 O ATOM 377 CB PRO A 809 -1.084 2.512 15.658 1.00 0.00 C ATOM 378 CG PRO A 809 -1.431 3.304 14.446 1.00 0.00 C ATOM 379 CD PRO A 809 -0.516 2.818 13.356 1.00 0.00 C ATOM 0 HA PRO A 809 0.108 0.655 15.713 1.00 0.00 H new ATOM 0 HB2 PRO A 809 -1.935 2.430 16.334 1.00 0.00 H new ATOM 0 HB3 PRO A 809 -0.275 2.980 16.219 1.00 0.00 H new ATOM 0 HG2 PRO A 809 -2.476 3.159 14.171 1.00 0.00 H new ATOM 0 HG3 PRO A 809 -1.293 4.370 14.624 1.00 0.00 H new ATOM 0 HD2 PRO A 809 -0.998 2.857 12.379 1.00 0.00 H new ATOM 0 HD3 PRO A 809 0.388 3.424 13.290 1.00 0.00 H new ATOM 387 N PHE A 810 -1.851 -0.724 16.122 1.00 0.00 N ATOM 388 CA PHE A 810 -2.924 -1.702 16.256 1.00 0.00 C ATOM 389 C PHE A 810 -4.264 -1.011 16.490 1.00 0.00 C ATOM 390 O PHE A 810 -5.323 -1.585 16.234 1.00 0.00 O ATOM 391 CB PHE A 810 -2.625 -2.663 17.409 1.00 0.00 C ATOM 392 CG PHE A 810 -1.177 -3.051 17.506 1.00 0.00 C ATOM 393 CD1 PHE A 810 -0.592 -3.846 16.534 1.00 0.00 C ATOM 394 CD2 PHE A 810 -0.401 -2.619 18.570 1.00 0.00 C ATOM 395 CE1 PHE A 810 0.740 -4.204 16.621 1.00 0.00 C ATOM 396 CE2 PHE A 810 0.932 -2.974 18.661 1.00 0.00 C ATOM 397 CZ PHE A 810 1.503 -3.768 17.686 1.00 0.00 C ATOM 0 H PHE A 810 -1.123 -0.797 16.832 1.00 0.00 H new ATOM 0 HA PHE A 810 -2.985 -2.268 15.326 1.00 0.00 H new ATOM 0 HB2 PHE A 810 -2.932 -2.200 18.347 1.00 0.00 H new ATOM 0 HB3 PHE A 810 -3.227 -3.564 17.286 1.00 0.00 H new ATOM 0 HD1 PHE A 810 -1.184 -4.190 15.699 1.00 0.00 H new ATOM 0 HD2 PHE A 810 -0.842 -1.999 19.336 1.00 0.00 H new ATOM 0 HE1 PHE A 810 1.184 -4.824 15.856 1.00 0.00 H new ATOM 0 HE2 PHE A 810 1.527 -2.630 19.494 1.00 0.00 H new ATOM 0 HZ PHE A 810 2.544 -4.047 17.756 1.00 0.00 H new ATOM 407 N SER A 811 -4.209 0.224 16.978 1.00 0.00 N ATOM 408 CA SER A 811 -5.418 0.992 17.251 1.00 0.00 C ATOM 409 C SER A 811 -6.181 1.281 15.961 1.00 0.00 C ATOM 410 O SER A 811 -7.393 1.077 15.885 1.00 0.00 O ATOM 411 CB SER A 811 -5.066 2.305 17.953 1.00 0.00 C ATOM 412 OG SER A 811 -6.184 2.826 18.650 1.00 0.00 O ATOM 0 H SER A 811 -3.340 0.714 17.192 1.00 0.00 H new ATOM 0 HA SER A 811 -6.056 0.398 17.905 1.00 0.00 H new ATOM 0 HB2 SER A 811 -4.244 2.140 18.649 1.00 0.00 H new ATOM 0 HB3 SER A 811 -4.720 3.032 17.219 1.00 0.00 H new ATOM 0 HG SER A 811 -5.933 3.664 19.091 1.00 0.00 H new ATOM 418 N CYS A 812 -5.462 1.757 14.950 1.00 0.00 N ATOM 419 CA CYS A 812 -6.070 2.075 13.663 1.00 0.00 C ATOM 420 C CYS A 812 -6.914 0.909 13.158 1.00 0.00 C ATOM 421 O CYS A 812 -6.874 -0.189 13.714 1.00 0.00 O ATOM 422 CB CYS A 812 -4.990 2.421 12.637 1.00 0.00 C ATOM 423 SG CYS A 812 -5.549 3.528 11.322 1.00 0.00 S ATOM 0 H CYS A 812 -4.458 1.931 14.997 1.00 0.00 H new ATOM 0 HA CYS A 812 -6.721 2.939 13.800 1.00 0.00 H new ATOM 0 HB2 CYS A 812 -4.148 2.883 13.153 1.00 0.00 H new ATOM 0 HB3 CYS A 812 -4.621 1.499 12.188 1.00 0.00 H new ATOM 0 HG CYS A 812 -4.565 3.764 10.506 1.00 0.00 H new ATOM 429 N THR A 813 -7.680 1.156 12.099 1.00 0.00 N ATOM 430 CA THR A 813 -8.537 0.128 11.520 1.00 0.00 C ATOM 431 C THR A 813 -8.696 0.328 10.017 1.00 0.00 C ATOM 432 O THR A 813 -8.290 1.354 9.470 1.00 0.00 O ATOM 433 CB THR A 813 -9.930 0.123 12.176 1.00 0.00 C ATOM 434 OG1 THR A 813 -10.694 -0.988 11.695 1.00 0.00 O ATOM 435 CG2 THR A 813 -10.671 1.419 11.883 1.00 0.00 C ATOM 0 H THR A 813 -7.724 2.058 11.625 1.00 0.00 H new ATOM 0 HA THR A 813 -8.052 -0.830 11.707 1.00 0.00 H new ATOM 0 HB THR A 813 -9.799 0.034 13.254 1.00 0.00 H new ATOM 0 HG1 THR A 813 -11.578 -0.985 12.118 1.00 0.00 H new ATOM 0 HG21 THR A 813 -11.652 1.392 12.357 1.00 0.00 H new ATOM 0 HG22 THR A 813 -10.101 2.261 12.276 1.00 0.00 H new ATOM 0 HG23 THR A 813 -10.791 1.534 10.806 1.00 0.00 H new ATOM 443 N LYS A 814 -9.289 -0.658 9.354 1.00 0.00 N ATOM 444 CA LYS A 814 -9.504 -0.591 7.913 1.00 0.00 C ATOM 445 C LYS A 814 -10.111 0.751 7.516 1.00 0.00 C ATOM 446 O LYS A 814 -9.541 1.486 6.710 1.00 0.00 O ATOM 447 CB LYS A 814 -10.418 -1.731 7.459 1.00 0.00 C ATOM 448 CG LYS A 814 -10.528 -1.858 5.950 1.00 0.00 C ATOM 449 CD LYS A 814 -11.642 -0.985 5.396 1.00 0.00 C ATOM 450 CE LYS A 814 -11.864 -1.239 3.913 1.00 0.00 C ATOM 451 NZ LYS A 814 -12.535 -2.546 3.668 1.00 0.00 N ATOM 0 H LYS A 814 -9.630 -1.514 9.791 1.00 0.00 H new ATOM 0 HA LYS A 814 -8.537 -0.692 7.421 1.00 0.00 H new ATOM 0 HB2 LYS A 814 -10.044 -2.670 7.868 1.00 0.00 H new ATOM 0 HB3 LYS A 814 -11.413 -1.575 7.876 1.00 0.00 H new ATOM 0 HG2 LYS A 814 -9.581 -1.576 5.490 1.00 0.00 H new ATOM 0 HG3 LYS A 814 -10.714 -2.899 5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 814 -12.565 -1.181 5.942 1.00 0.00 H new ATOM 0 HD3 LYS A 814 -11.395 0.065 5.553 1.00 0.00 H new ATOM 0 HE2 LYS A 814 -12.470 -0.436 3.494 1.00 0.00 H new ATOM 0 HE3 LYS A 814 -10.906 -1.220 3.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 814 -12.790 -2.622 2.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 814 -11.889 -3.321 3.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 814 -13.395 -2.609 4.249 1.00 0.00 H new ATOM 465 N GLU A 815 -11.269 1.064 8.088 1.00 0.00 N ATOM 466 CA GLU A 815 -11.952 2.318 7.793 1.00 0.00 C ATOM 467 C GLU A 815 -10.957 3.471 7.703 1.00 0.00 C ATOM 468 O GLU A 815 -10.741 4.036 6.631 1.00 0.00 O ATOM 469 CB GLU A 815 -13.002 2.618 8.865 1.00 0.00 C ATOM 470 CG GLU A 815 -14.196 1.679 8.828 1.00 0.00 C ATOM 471 CD GLU A 815 -15.278 2.072 9.814 1.00 0.00 C ATOM 472 OE1 GLU A 815 -15.688 3.251 9.808 1.00 0.00 O ATOM 473 OE2 GLU A 815 -15.715 1.199 10.593 1.00 0.00 O ATOM 0 H GLU A 815 -11.754 0.467 8.758 1.00 0.00 H new ATOM 0 HA GLU A 815 -12.449 2.213 6.828 1.00 0.00 H new ATOM 0 HB2 GLU A 815 -12.533 2.558 9.847 1.00 0.00 H new ATOM 0 HB3 GLU A 815 -13.352 3.643 8.741 1.00 0.00 H new ATOM 0 HG2 GLU A 815 -14.614 1.668 7.821 1.00 0.00 H new ATOM 0 HG3 GLU A 815 -13.862 0.664 9.046 1.00 0.00 H new ATOM 480 N GLU A 816 -10.355 3.816 8.837 1.00 0.00 N ATOM 481 CA GLU A 816 -9.384 4.902 8.887 1.00 0.00 C ATOM 482 C GLU A 816 -8.538 4.934 7.618 1.00 0.00 C ATOM 483 O GLU A 816 -8.506 5.937 6.903 1.00 0.00 O ATOM 484 CB GLU A 816 -8.480 4.753 10.112 1.00 0.00 C ATOM 485 CG GLU A 816 -9.147 5.162 11.415 1.00 0.00 C ATOM 486 CD GLU A 816 -9.588 6.612 11.414 1.00 0.00 C ATOM 487 OE1 GLU A 816 -8.718 7.498 11.548 1.00 0.00 O ATOM 488 OE2 GLU A 816 -10.805 6.862 11.279 1.00 0.00 O ATOM 0 H GLU A 816 -10.523 3.359 9.733 1.00 0.00 H new ATOM 0 HA GLU A 816 -9.932 5.841 8.962 1.00 0.00 H new ATOM 0 HB2 GLU A 816 -8.156 3.715 10.190 1.00 0.00 H new ATOM 0 HB3 GLU A 816 -7.584 5.357 9.967 1.00 0.00 H new ATOM 0 HG2 GLU A 816 -10.012 4.523 11.592 1.00 0.00 H new ATOM 0 HG3 GLU A 816 -8.455 4.997 12.241 1.00 0.00 H new ATOM 495 N LEU A 817 -7.852 3.830 7.343 1.00 0.00 N ATOM 496 CA LEU A 817 -7.004 3.729 6.160 1.00 0.00 C ATOM 497 C LEU A 817 -7.790 4.066 4.897 1.00 0.00 C ATOM 498 O LEU A 817 -7.291 4.759 4.011 1.00 0.00 O ATOM 499 CB LEU A 817 -6.415 2.322 6.049 1.00 0.00 C ATOM 500 CG LEU A 817 -5.088 2.208 5.298 1.00 0.00 C ATOM 501 CD1 LEU A 817 -4.139 3.320 5.718 1.00 0.00 C ATOM 502 CD2 LEU A 817 -4.455 0.845 5.539 1.00 0.00 C ATOM 0 H LEU A 817 -7.866 2.991 7.924 1.00 0.00 H new ATOM 0 HA LEU A 817 -6.192 4.448 6.263 1.00 0.00 H new ATOM 0 HB2 LEU A 817 -6.275 1.928 7.056 1.00 0.00 H new ATOM 0 HB3 LEU A 817 -7.146 1.682 5.555 1.00 0.00 H new ATOM 0 HG LEU A 817 -5.286 2.312 4.231 1.00 0.00 H new ATOM 0 HD11 LEU A 817 -3.200 3.222 5.173 1.00 0.00 H new ATOM 0 HD12 LEU A 817 -4.590 4.287 5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 817 -3.946 3.249 6.788 1.00 0.00 H new ATOM 0 HD21 LEU A 817 -3.511 0.781 4.997 1.00 0.00 H new ATOM 0 HD22 LEU A 817 -4.271 0.713 6.605 1.00 0.00 H new ATOM 0 HD23 LEU A 817 -5.129 0.064 5.188 1.00 0.00 H new ATOM 514 N GLU A 818 -9.022 3.572 4.823 1.00 0.00 N ATOM 515 CA GLU A 818 -9.877 3.822 3.669 1.00 0.00 C ATOM 516 C GLU A 818 -10.127 5.317 3.491 1.00 0.00 C ATOM 517 O GLU A 818 -9.781 5.896 2.461 1.00 0.00 O ATOM 518 CB GLU A 818 -11.209 3.086 3.823 1.00 0.00 C ATOM 519 CG GLU A 818 -11.963 2.911 2.516 1.00 0.00 C ATOM 520 CD GLU A 818 -11.591 1.630 1.795 1.00 0.00 C ATOM 521 OE1 GLU A 818 -10.387 1.299 1.759 1.00 0.00 O ATOM 522 OE2 GLU A 818 -12.502 0.960 1.266 1.00 0.00 O ATOM 0 H GLU A 818 -9.450 2.997 5.548 1.00 0.00 H new ATOM 0 HA GLU A 818 -9.365 3.448 2.782 1.00 0.00 H new ATOM 0 HB2 GLU A 818 -11.024 2.105 4.260 1.00 0.00 H new ATOM 0 HB3 GLU A 818 -11.838 3.634 4.525 1.00 0.00 H new ATOM 0 HG2 GLU A 818 -13.035 2.913 2.716 1.00 0.00 H new ATOM 0 HG3 GLU A 818 -11.758 3.762 1.866 1.00 0.00 H new ATOM 529 N GLU A 819 -10.730 5.935 4.501 1.00 0.00 N ATOM 530 CA GLU A 819 -11.027 7.362 4.456 1.00 0.00 C ATOM 531 C GLU A 819 -9.781 8.166 4.096 1.00 0.00 C ATOM 532 O GLU A 819 -9.828 9.057 3.247 1.00 0.00 O ATOM 533 CB GLU A 819 -11.582 7.833 5.802 1.00 0.00 C ATOM 534 CG GLU A 819 -10.748 7.391 6.992 1.00 0.00 C ATOM 535 CD GLU A 819 -11.344 7.826 8.316 1.00 0.00 C ATOM 536 OE1 GLU A 819 -11.094 8.978 8.728 1.00 0.00 O ATOM 537 OE2 GLU A 819 -12.060 7.016 8.941 1.00 0.00 O ATOM 0 H GLU A 819 -11.023 5.470 5.361 1.00 0.00 H new ATOM 0 HA GLU A 819 -11.779 7.527 3.684 1.00 0.00 H new ATOM 0 HB2 GLU A 819 -11.646 8.921 5.798 1.00 0.00 H new ATOM 0 HB3 GLU A 819 -12.597 7.454 5.920 1.00 0.00 H new ATOM 0 HG2 GLU A 819 -10.652 6.305 6.980 1.00 0.00 H new ATOM 0 HG3 GLU A 819 -9.742 7.801 6.898 1.00 0.00 H new ATOM 544 N ILE A 820 -8.669 7.846 4.749 1.00 0.00 N ATOM 545 CA ILE A 820 -7.411 8.538 4.499 1.00 0.00 C ATOM 546 C ILE A 820 -6.978 8.382 3.045 1.00 0.00 C ATOM 547 O ILE A 820 -6.350 9.275 2.475 1.00 0.00 O ATOM 548 CB ILE A 820 -6.289 8.016 5.416 1.00 0.00 C ATOM 549 CG1 ILE A 820 -6.542 8.444 6.863 1.00 0.00 C ATOM 550 CG2 ILE A 820 -4.936 8.520 4.937 1.00 0.00 C ATOM 551 CD1 ILE A 820 -5.506 7.928 7.836 1.00 0.00 C ATOM 0 H ILE A 820 -8.614 7.112 5.455 1.00 0.00 H new ATOM 0 HA ILE A 820 -7.583 9.593 4.714 1.00 0.00 H new ATOM 0 HB ILE A 820 -6.284 6.927 5.375 1.00 0.00 H new ATOM 0 HG12 ILE A 820 -6.565 9.533 6.913 1.00 0.00 H new ATOM 0 HG13 ILE A 820 -7.526 8.090 7.171 1.00 0.00 H new ATOM 0 HG21 ILE A 820 -4.153 8.143 5.595 1.00 0.00 H new ATOM 0 HG22 ILE A 820 -4.756 8.169 3.921 1.00 0.00 H new ATOM 0 HG23 ILE A 820 -4.928 9.610 4.951 1.00 0.00 H new ATOM 0 HD11 ILE A 820 -5.749 8.270 8.842 1.00 0.00 H new ATOM 0 HD12 ILE A 820 -5.499 6.838 7.816 1.00 0.00 H new ATOM 0 HD13 ILE A 820 -4.522 8.303 7.553 1.00 0.00 H new ATOM 563 N CYS A 821 -7.319 7.244 2.451 1.00 0.00 N ATOM 564 CA CYS A 821 -6.966 6.971 1.062 1.00 0.00 C ATOM 565 C CYS A 821 -7.913 7.692 0.109 1.00 0.00 C ATOM 566 O CYS A 821 -7.503 8.169 -0.949 1.00 0.00 O ATOM 567 CB CYS A 821 -6.999 5.466 0.792 1.00 0.00 C ATOM 568 SG CYS A 821 -5.742 4.527 1.690 1.00 0.00 S ATOM 0 H CYS A 821 -7.839 6.496 2.909 1.00 0.00 H new ATOM 0 HA CYS A 821 -5.955 7.341 0.890 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -7.984 5.082 1.058 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -6.869 5.297 -0.277 1.00 0.00 H new ATOM 0 HG CYS A 821 -6.072 4.449 2.945 1.00 0.00 H new ATOM 574 N LYS A 822 -9.184 7.767 0.490 1.00 0.00 N ATOM 575 CA LYS A 822 -10.192 8.429 -0.330 1.00 0.00 C ATOM 576 C LYS A 822 -9.813 9.884 -0.587 1.00 0.00 C ATOM 577 O LYS A 822 -10.206 10.468 -1.597 1.00 0.00 O ATOM 578 CB LYS A 822 -11.560 8.360 0.352 1.00 0.00 C ATOM 579 CG LYS A 822 -12.131 6.955 0.428 1.00 0.00 C ATOM 580 CD LYS A 822 -13.650 6.969 0.412 1.00 0.00 C ATOM 581 CE LYS A 822 -14.216 5.619 -0.001 1.00 0.00 C ATOM 582 NZ LYS A 822 -15.558 5.374 0.594 1.00 0.00 N ATOM 0 H LYS A 822 -9.541 7.377 1.362 1.00 0.00 H new ATOM 0 HA LYS A 822 -10.244 7.910 -1.287 1.00 0.00 H new ATOM 0 HB2 LYS A 822 -11.474 8.764 1.361 1.00 0.00 H new ATOM 0 HB3 LYS A 822 -12.259 8.998 -0.188 1.00 0.00 H new ATOM 0 HG2 LYS A 822 -11.763 6.366 -0.412 1.00 0.00 H new ATOM 0 HG3 LYS A 822 -11.780 6.467 1.338 1.00 0.00 H new ATOM 0 HD2 LYS A 822 -14.023 7.234 1.401 1.00 0.00 H new ATOM 0 HD3 LYS A 822 -14.001 7.738 -0.277 1.00 0.00 H new ATOM 0 HE2 LYS A 822 -14.287 5.572 -1.088 1.00 0.00 H new ATOM 0 HE3 LYS A 822 -13.532 4.829 0.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 822 -15.909 4.444 0.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 822 -15.487 5.393 1.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 822 -16.218 6.114 0.279 1.00 0.00 H new ATOM 596 N ALA A 823 -9.047 10.463 0.331 1.00 0.00 N ATOM 597 CA ALA A 823 -8.612 11.849 0.201 1.00 0.00 C ATOM 598 C ALA A 823 -7.638 12.012 -0.960 1.00 0.00 C ATOM 599 O ALA A 823 -7.759 12.940 -1.760 1.00 0.00 O ATOM 600 CB ALA A 823 -7.976 12.326 1.498 1.00 0.00 C ATOM 0 H ALA A 823 -8.714 9.994 1.174 1.00 0.00 H new ATOM 0 HA ALA A 823 -9.489 12.462 -0.007 1.00 0.00 H new ATOM 0 HB1 ALA A 823 -7.656 13.362 1.387 1.00 0.00 H new ATOM 0 HB2 ALA A 823 -8.703 12.256 2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 823 -7.113 11.703 1.731 1.00 0.00 H new ATOM 606 N HIS A 824 -6.670 11.104 -1.046 1.00 0.00 N ATOM 607 CA HIS A 824 -5.674 11.148 -2.110 1.00 0.00 C ATOM 608 C HIS A 824 -6.318 10.889 -3.469 1.00 0.00 C ATOM 609 O HIS A 824 -6.098 11.634 -4.423 1.00 0.00 O ATOM 610 CB HIS A 824 -4.573 10.119 -1.850 1.00 0.00 C ATOM 611 CG HIS A 824 -3.894 10.290 -0.526 1.00 0.00 C ATOM 612 ND1 HIS A 824 -3.278 11.463 -0.143 1.00 0.00 N ATOM 613 CD2 HIS A 824 -3.737 9.429 0.506 1.00 0.00 C ATOM 614 CE1 HIS A 824 -2.770 11.315 1.068 1.00 0.00 C ATOM 615 NE2 HIS A 824 -3.035 10.090 1.484 1.00 0.00 N ATOM 0 H HIS A 824 -6.555 10.330 -0.392 1.00 0.00 H new ATOM 0 HA HIS A 824 -5.234 12.145 -2.120 1.00 0.00 H new ATOM 0 HB2 HIS A 824 -5.002 9.119 -1.902 1.00 0.00 H new ATOM 0 HB3 HIS A 824 -3.828 10.188 -2.643 1.00 0.00 H new ATOM 0 HD2 HIS A 824 -4.097 8.412 0.552 1.00 0.00 H new ATOM 0 HE1 HIS A 824 -2.230 12.068 1.623 1.00 0.00 H new ATOM 0 HE2 HIS A 824 -2.763 9.698 2.385 1.00 0.00 H new ATOM 623 N GLY A 825 -7.114 9.827 -3.548 1.00 0.00 N ATOM 624 CA GLY A 825 -7.777 9.489 -4.794 1.00 0.00 C ATOM 625 C GLY A 825 -8.891 8.479 -4.602 1.00 0.00 C ATOM 626 O GLY A 825 -9.477 8.386 -3.523 1.00 0.00 O ATOM 0 H GLY A 825 -7.311 9.195 -2.772 1.00 0.00 H new ATOM 0 HA2 GLY A 825 -8.185 10.395 -5.242 1.00 0.00 H new ATOM 0 HA3 GLY A 825 -7.044 9.089 -5.495 1.00 0.00 H new ATOM 630 N THR A 826 -9.189 7.721 -5.653 1.00 0.00 N ATOM 631 CA THR A 826 -10.242 6.716 -5.596 1.00 0.00 C ATOM 632 C THR A 826 -9.705 5.384 -5.086 1.00 0.00 C ATOM 633 O THR A 826 -8.697 4.879 -5.581 1.00 0.00 O ATOM 634 CB THR A 826 -10.888 6.500 -6.978 1.00 0.00 C ATOM 635 OG1 THR A 826 -11.558 7.695 -7.398 1.00 0.00 O ATOM 636 CG2 THR A 826 -11.877 5.345 -6.939 1.00 0.00 C ATOM 0 H THR A 826 -8.715 7.785 -6.554 1.00 0.00 H new ATOM 0 HA THR A 826 -10.997 7.089 -4.904 1.00 0.00 H new ATOM 0 HB THR A 826 -10.099 6.257 -7.689 1.00 0.00 H new ATOM 0 HG1 THR A 826 -11.964 7.550 -8.278 1.00 0.00 H new ATOM 0 HG21 THR A 826 -12.320 5.212 -7.926 1.00 0.00 H new ATOM 0 HG22 THR A 826 -11.358 4.432 -6.648 1.00 0.00 H new ATOM 0 HG23 THR A 826 -12.662 5.563 -6.215 1.00 0.00 H new ATOM 644 N VAL A 827 -10.384 4.818 -4.093 1.00 0.00 N ATOM 645 CA VAL A 827 -9.975 3.543 -3.517 1.00 0.00 C ATOM 646 C VAL A 827 -10.686 2.379 -4.198 1.00 0.00 C ATOM 647 O VAL A 827 -11.910 2.261 -4.134 1.00 0.00 O ATOM 648 CB VAL A 827 -10.264 3.492 -2.005 1.00 0.00 C ATOM 649 CG1 VAL A 827 -10.056 2.084 -1.468 1.00 0.00 C ATOM 650 CG2 VAL A 827 -9.388 4.489 -1.262 1.00 0.00 C ATOM 0 H VAL A 827 -11.220 5.223 -3.671 1.00 0.00 H new ATOM 0 HA VAL A 827 -8.901 3.453 -3.678 1.00 0.00 H new ATOM 0 HB VAL A 827 -11.306 3.766 -1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 827 -10.265 2.068 -0.398 1.00 0.00 H new ATOM 0 HG12 VAL A 827 -10.729 1.396 -1.980 1.00 0.00 H new ATOM 0 HG13 VAL A 827 -9.024 1.777 -1.641 1.00 0.00 H new ATOM 0 HG21 VAL A 827 -9.605 4.440 -0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 827 -8.339 4.247 -1.430 1.00 0.00 H new ATOM 0 HG23 VAL A 827 -9.592 5.495 -1.628 1.00 0.00 H new ATOM 660 N LYS A 828 -9.910 1.519 -4.851 1.00 0.00 N ATOM 661 CA LYS A 828 -10.464 0.362 -5.543 1.00 0.00 C ATOM 662 C LYS A 828 -10.652 -0.808 -4.583 1.00 0.00 C ATOM 663 O LYS A 828 -11.687 -1.475 -4.597 1.00 0.00 O ATOM 664 CB LYS A 828 -9.549 -0.053 -6.698 1.00 0.00 C ATOM 665 CG LYS A 828 -9.634 0.868 -7.902 1.00 0.00 C ATOM 666 CD LYS A 828 -10.922 0.653 -8.679 1.00 0.00 C ATOM 667 CE LYS A 828 -10.858 -0.609 -9.526 1.00 0.00 C ATOM 668 NZ LYS A 828 -10.024 -0.418 -10.744 1.00 0.00 N ATOM 0 H LYS A 828 -8.895 1.602 -4.915 1.00 0.00 H new ATOM 0 HA LYS A 828 -11.439 0.641 -5.942 1.00 0.00 H new ATOM 0 HB2 LYS A 828 -8.519 -0.079 -6.343 1.00 0.00 H new ATOM 0 HB3 LYS A 828 -9.805 -1.066 -7.007 1.00 0.00 H new ATOM 0 HG2 LYS A 828 -9.576 1.905 -7.572 1.00 0.00 H new ATOM 0 HG3 LYS A 828 -8.780 0.693 -8.556 1.00 0.00 H new ATOM 0 HD2 LYS A 828 -11.760 0.585 -7.985 1.00 0.00 H new ATOM 0 HD3 LYS A 828 -11.109 1.514 -9.321 1.00 0.00 H new ATOM 0 HE2 LYS A 828 -10.449 -1.426 -8.931 1.00 0.00 H new ATOM 0 HE3 LYS A 828 -11.866 -0.901 -9.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 828 -10.101 -1.258 -11.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 828 -10.356 0.419 -11.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 828 -9.031 -0.281 -10.467 1.00 0.00 H new ATOM 682 N ASP A 829 -9.645 -1.052 -3.751 1.00 0.00 N ATOM 683 CA ASP A 829 -9.701 -2.140 -2.782 1.00 0.00 C ATOM 684 C ASP A 829 -8.672 -1.935 -1.674 1.00 0.00 C ATOM 685 O ASP A 829 -7.585 -1.408 -1.912 1.00 0.00 O ATOM 686 CB ASP A 829 -9.460 -3.482 -3.476 1.00 0.00 C ATOM 687 CG ASP A 829 -9.952 -4.656 -2.653 1.00 0.00 C ATOM 688 OD1 ASP A 829 -11.178 -4.893 -2.630 1.00 0.00 O ATOM 689 OD2 ASP A 829 -9.111 -5.339 -2.033 1.00 0.00 O ATOM 0 H ASP A 829 -8.781 -0.511 -3.728 1.00 0.00 H new ATOM 0 HA ASP A 829 -10.695 -2.144 -2.334 1.00 0.00 H new ATOM 0 HB2 ASP A 829 -9.964 -3.483 -4.443 1.00 0.00 H new ATOM 0 HB3 ASP A 829 -8.394 -3.600 -3.672 1.00 0.00 H new ATOM 694 N LEU A 830 -9.024 -2.353 -0.463 1.00 0.00 N ATOM 695 CA LEU A 830 -8.131 -2.214 0.683 1.00 0.00 C ATOM 696 C LEU A 830 -8.138 -3.479 1.535 1.00 0.00 C ATOM 697 O LEU A 830 -9.198 -3.977 1.916 1.00 0.00 O ATOM 698 CB LEU A 830 -8.544 -1.011 1.532 1.00 0.00 C ATOM 699 CG LEU A 830 -7.420 -0.310 2.295 1.00 0.00 C ATOM 700 CD1 LEU A 830 -7.868 1.065 2.764 1.00 0.00 C ATOM 701 CD2 LEU A 830 -6.968 -1.157 3.476 1.00 0.00 C ATOM 0 H LEU A 830 -9.920 -2.790 -0.249 1.00 0.00 H new ATOM 0 HA LEU A 830 -7.120 -2.057 0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 830 -9.025 -0.281 0.881 1.00 0.00 H new ATOM 0 HB3 LEU A 830 -9.294 -1.340 2.251 1.00 0.00 H new ATOM 0 HG LEU A 830 -6.574 -0.182 1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 830 -7.054 1.548 3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 830 -8.141 1.673 1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 830 -8.730 0.962 3.423 1.00 0.00 H new ATOM 0 HD21 LEU A 830 -6.167 -0.642 4.008 1.00 0.00 H new ATOM 0 HD22 LEU A 830 -7.808 -1.317 4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 830 -6.604 -2.119 3.116 1.00 0.00 H new ATOM 713 N ARG A 831 -6.949 -3.993 1.831 1.00 0.00 N ATOM 714 CA ARG A 831 -6.818 -5.199 2.639 1.00 0.00 C ATOM 715 C ARG A 831 -5.716 -5.038 3.682 1.00 0.00 C ATOM 716 O ARG A 831 -4.767 -4.278 3.486 1.00 0.00 O ATOM 717 CB ARG A 831 -6.519 -6.406 1.747 1.00 0.00 C ATOM 718 CG ARG A 831 -5.083 -6.455 1.251 1.00 0.00 C ATOM 719 CD ARG A 831 -4.826 -7.696 0.410 1.00 0.00 C ATOM 720 NE ARG A 831 -3.623 -7.564 -0.407 1.00 0.00 N ATOM 721 CZ ARG A 831 -3.019 -8.589 -0.997 1.00 0.00 C ATOM 722 NH1 ARG A 831 -3.504 -9.816 -0.862 1.00 0.00 N ATOM 723 NH2 ARG A 831 -1.928 -8.389 -1.726 1.00 0.00 N ATOM 0 H ARG A 831 -6.063 -3.593 1.523 1.00 0.00 H new ATOM 0 HA ARG A 831 -7.763 -5.364 3.157 1.00 0.00 H new ATOM 0 HB2 ARG A 831 -6.734 -7.319 2.302 1.00 0.00 H new ATOM 0 HB3 ARG A 831 -7.191 -6.388 0.889 1.00 0.00 H new ATOM 0 HG2 ARG A 831 -4.870 -5.564 0.661 1.00 0.00 H new ATOM 0 HG3 ARG A 831 -4.402 -6.444 2.102 1.00 0.00 H new ATOM 0 HD2 ARG A 831 -4.727 -8.563 1.064 1.00 0.00 H new ATOM 0 HD3 ARG A 831 -5.684 -7.880 -0.236 1.00 0.00 H new ATOM 0 HE ARG A 831 -3.225 -6.633 -0.531 1.00 0.00 H new ATOM 0 HH11 ARG A 831 -4.343 -9.974 -0.304 1.00 0.00 H new ATOM 0 HH12 ARG A 831 -3.038 -10.601 -1.316 1.00 0.00 H new ATOM 0 HH21 ARG A 831 -1.552 -7.447 -1.834 1.00 0.00 H new ATOM 0 HH22 ARG A 831 -1.465 -9.177 -2.178 1.00 0.00 H new ATOM 737 N LEU A 832 -5.849 -5.758 4.791 1.00 0.00 N ATOM 738 CA LEU A 832 -4.865 -5.695 5.866 1.00 0.00 C ATOM 739 C LEU A 832 -4.162 -7.038 6.041 1.00 0.00 C ATOM 740 O LEU A 832 -4.772 -8.095 5.880 1.00 0.00 O ATOM 741 CB LEU A 832 -5.538 -5.284 7.177 1.00 0.00 C ATOM 742 CG LEU A 832 -6.585 -4.175 7.074 1.00 0.00 C ATOM 743 CD1 LEU A 832 -7.379 -4.069 8.367 1.00 0.00 C ATOM 744 CD2 LEU A 832 -5.924 -2.845 6.742 1.00 0.00 C ATOM 0 H LEU A 832 -6.628 -6.392 4.969 1.00 0.00 H new ATOM 0 HA LEU A 832 -4.118 -4.947 5.598 1.00 0.00 H new ATOM 0 HB2 LEU A 832 -6.012 -6.165 7.611 1.00 0.00 H new ATOM 0 HB3 LEU A 832 -4.764 -4.962 7.874 1.00 0.00 H new ATOM 0 HG LEU A 832 -7.274 -4.427 6.268 1.00 0.00 H new ATOM 0 HD11 LEU A 832 -8.119 -3.274 8.275 1.00 0.00 H new ATOM 0 HD12 LEU A 832 -7.884 -5.015 8.562 1.00 0.00 H new ATOM 0 HD13 LEU A 832 -6.703 -3.842 9.191 1.00 0.00 H new ATOM 0 HD21 LEU A 832 -6.685 -2.068 6.673 1.00 0.00 H new ATOM 0 HD22 LEU A 832 -5.212 -2.587 7.526 1.00 0.00 H new ATOM 0 HD23 LEU A 832 -5.401 -2.926 5.789 1.00 0.00 H new ATOM 756 N VAL A 833 -2.876 -6.988 6.374 1.00 0.00 N ATOM 757 CA VAL A 833 -2.092 -8.201 6.575 1.00 0.00 C ATOM 758 C VAL A 833 -2.210 -8.700 8.010 1.00 0.00 C ATOM 759 O VAL A 833 -2.093 -7.927 8.961 1.00 0.00 O ATOM 760 CB VAL A 833 -0.605 -7.968 6.245 1.00 0.00 C ATOM 761 CG1 VAL A 833 0.201 -9.234 6.491 1.00 0.00 C ATOM 762 CG2 VAL A 833 -0.447 -7.496 4.807 1.00 0.00 C ATOM 0 H VAL A 833 -2.355 -6.121 6.510 1.00 0.00 H new ATOM 0 HA VAL A 833 -2.494 -8.954 5.897 1.00 0.00 H new ATOM 0 HB VAL A 833 -0.222 -7.189 6.904 1.00 0.00 H new ATOM 0 HG11 VAL A 833 1.249 -9.050 6.253 1.00 0.00 H new ATOM 0 HG12 VAL A 833 0.113 -9.524 7.538 1.00 0.00 H new ATOM 0 HG13 VAL A 833 -0.180 -10.036 5.859 1.00 0.00 H new ATOM 0 HG21 VAL A 833 0.609 -7.336 4.590 1.00 0.00 H new ATOM 0 HG22 VAL A 833 -0.846 -8.252 4.130 1.00 0.00 H new ATOM 0 HG23 VAL A 833 -0.991 -6.562 4.669 1.00 0.00 H new ATOM 772 N THR A 834 -2.443 -10.001 8.161 1.00 0.00 N ATOM 773 CA THR A 834 -2.577 -10.605 9.480 1.00 0.00 C ATOM 774 C THR A 834 -1.754 -11.884 9.586 1.00 0.00 C ATOM 775 O THR A 834 -1.061 -12.266 8.645 1.00 0.00 O ATOM 776 CB THR A 834 -4.049 -10.927 9.803 1.00 0.00 C ATOM 777 OG1 THR A 834 -4.635 -11.670 8.729 1.00 0.00 O ATOM 778 CG2 THR A 834 -4.843 -9.651 10.036 1.00 0.00 C ATOM 0 H THR A 834 -2.543 -10.656 7.385 1.00 0.00 H new ATOM 0 HA THR A 834 -2.205 -9.876 10.200 1.00 0.00 H new ATOM 0 HB THR A 834 -4.076 -11.524 10.714 1.00 0.00 H new ATOM 0 HG1 THR A 834 -5.570 -11.872 8.943 1.00 0.00 H new ATOM 0 HG21 THR A 834 -5.879 -9.903 10.262 1.00 0.00 H new ATOM 0 HG22 THR A 834 -4.412 -9.102 10.873 1.00 0.00 H new ATOM 0 HG23 THR A 834 -4.808 -9.032 9.140 1.00 0.00 H new ATOM 786 N ASN A 835 -1.837 -12.541 10.738 1.00 0.00 N ATOM 787 CA ASN A 835 -1.099 -13.778 10.967 1.00 0.00 C ATOM 788 C ASN A 835 -2.047 -14.971 11.043 1.00 0.00 C ATOM 789 O ASN A 835 -3.255 -14.830 10.849 1.00 0.00 O ATOM 790 CB ASN A 835 -0.282 -13.679 12.257 1.00 0.00 C ATOM 791 CG ASN A 835 0.915 -14.611 12.257 1.00 0.00 C ATOM 792 OD1 ASN A 835 1.428 -14.980 11.200 1.00 0.00 O ATOM 793 ND2 ASN A 835 1.365 -14.995 13.445 1.00 0.00 N ATOM 0 H ASN A 835 -2.408 -12.238 11.527 1.00 0.00 H new ATOM 0 HA ASN A 835 -0.421 -13.927 10.127 1.00 0.00 H new ATOM 0 HB2 ASN A 835 0.060 -12.653 12.389 1.00 0.00 H new ATOM 0 HB3 ASN A 835 -0.922 -13.914 13.108 1.00 0.00 H new ATOM 0 HD21 ASN A 835 2.168 -15.621 13.508 1.00 0.00 H new ATOM 0 HD22 ASN A 835 0.908 -14.664 14.295 1.00 0.00 H new ATOM 800 N ARG A 836 -1.491 -16.145 11.326 1.00 0.00 N ATOM 801 CA ARG A 836 -2.287 -17.362 11.428 1.00 0.00 C ATOM 802 C ARG A 836 -3.402 -17.199 12.456 1.00 0.00 C ATOM 803 O ARG A 836 -4.519 -17.675 12.256 1.00 0.00 O ATOM 804 CB ARG A 836 -1.398 -18.548 11.807 1.00 0.00 C ATOM 805 CG ARG A 836 -2.062 -19.899 11.597 1.00 0.00 C ATOM 806 CD ARG A 836 -1.545 -20.933 12.586 1.00 0.00 C ATOM 807 NE ARG A 836 -0.305 -21.555 12.129 1.00 0.00 N ATOM 808 CZ ARG A 836 -0.256 -22.498 11.195 1.00 0.00 C ATOM 809 NH1 ARG A 836 -1.372 -22.925 10.621 1.00 0.00 N ATOM 810 NH2 ARG A 836 0.911 -23.015 10.834 1.00 0.00 N ATOM 0 H ARG A 836 -0.493 -16.279 11.489 1.00 0.00 H new ATOM 0 HA ARG A 836 -2.740 -17.552 10.455 1.00 0.00 H new ATOM 0 HB2 ARG A 836 -0.482 -18.507 11.218 1.00 0.00 H new ATOM 0 HB3 ARG A 836 -1.108 -18.454 12.854 1.00 0.00 H new ATOM 0 HG2 ARG A 836 -3.142 -19.796 11.707 1.00 0.00 H new ATOM 0 HG3 ARG A 836 -1.877 -20.243 10.579 1.00 0.00 H new ATOM 0 HD2 ARG A 836 -1.378 -20.458 13.553 1.00 0.00 H new ATOM 0 HD3 ARG A 836 -2.303 -21.702 12.736 1.00 0.00 H new ATOM 0 HE ARG A 836 0.572 -21.248 12.550 1.00 0.00 H new ATOM 0 HH11 ARG A 836 -2.271 -22.529 10.896 1.00 0.00 H new ATOM 0 HH12 ARG A 836 -1.332 -23.649 9.904 1.00 0.00 H new ATOM 0 HH21 ARG A 836 1.771 -22.688 11.274 1.00 0.00 H new ATOM 0 HH22 ARG A 836 0.948 -23.739 10.117 1.00 0.00 H new ATOM 824 N ALA A 837 -3.090 -16.523 13.557 1.00 0.00 N ATOM 825 CA ALA A 837 -4.066 -16.296 14.616 1.00 0.00 C ATOM 826 C ALA A 837 -4.835 -15.000 14.385 1.00 0.00 C ATOM 827 O ALA A 837 -5.342 -14.391 15.326 1.00 0.00 O ATOM 828 CB ALA A 837 -3.376 -16.268 15.972 1.00 0.00 C ATOM 0 H ALA A 837 -2.169 -16.123 13.739 1.00 0.00 H new ATOM 0 HA ALA A 837 -4.780 -17.119 14.601 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -4.116 -16.098 16.754 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -2.877 -17.221 16.146 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -2.639 -15.465 15.989 1.00 0.00 H new ATOM 834 N GLY A 838 -4.917 -14.582 13.125 1.00 0.00 N ATOM 835 CA GLY A 838 -5.626 -13.360 12.794 1.00 0.00 C ATOM 836 C GLY A 838 -5.094 -12.158 13.550 1.00 0.00 C ATOM 837 O GLY A 838 -5.837 -11.223 13.846 1.00 0.00 O ATOM 0 H GLY A 838 -4.505 -15.068 12.328 1.00 0.00 H new ATOM 0 HA2 GLY A 838 -5.546 -13.176 11.723 1.00 0.00 H new ATOM 0 HA3 GLY A 838 -6.685 -13.486 13.018 1.00 0.00 H new ATOM 841 N LYS A 839 -3.803 -12.183 13.865 1.00 0.00 N ATOM 842 CA LYS A 839 -3.171 -11.089 14.592 1.00 0.00 C ATOM 843 C LYS A 839 -2.642 -10.031 13.630 1.00 0.00 C ATOM 844 O LYS A 839 -2.115 -10.337 12.560 1.00 0.00 O ATOM 845 CB LYS A 839 -2.029 -11.619 15.462 1.00 0.00 C ATOM 846 CG LYS A 839 -2.475 -12.637 16.498 1.00 0.00 C ATOM 847 CD LYS A 839 -3.068 -11.962 17.723 1.00 0.00 C ATOM 848 CE LYS A 839 -3.542 -12.982 18.747 1.00 0.00 C ATOM 849 NZ LYS A 839 -3.937 -12.338 20.030 1.00 0.00 N ATOM 0 H LYS A 839 -3.174 -12.950 13.628 1.00 0.00 H new ATOM 0 HA LYS A 839 -3.924 -10.629 15.232 1.00 0.00 H new ATOM 0 HB2 LYS A 839 -1.275 -12.074 14.819 1.00 0.00 H new ATOM 0 HB3 LYS A 839 -1.552 -10.781 15.970 1.00 0.00 H new ATOM 0 HG2 LYS A 839 -3.213 -13.307 16.057 1.00 0.00 H new ATOM 0 HG3 LYS A 839 -1.625 -13.251 16.795 1.00 0.00 H new ATOM 0 HD2 LYS A 839 -2.322 -11.309 18.177 1.00 0.00 H new ATOM 0 HD3 LYS A 839 -3.904 -11.331 17.423 1.00 0.00 H new ATOM 0 HE2 LYS A 839 -4.389 -13.536 18.343 1.00 0.00 H new ATOM 0 HE3 LYS A 839 -2.748 -13.705 18.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 839 -4.254 -13.067 20.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 839 -3.122 -11.831 20.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 839 -4.712 -11.666 19.857 1.00 0.00 H new ATOM 863 N PRO A 840 -2.783 -8.754 14.017 1.00 0.00 N ATOM 864 CA PRO A 840 -2.324 -7.625 13.203 1.00 0.00 C ATOM 865 C PRO A 840 -0.803 -7.539 13.137 1.00 0.00 C ATOM 866 O PRO A 840 -0.123 -7.583 14.162 1.00 0.00 O ATOM 867 CB PRO A 840 -2.897 -6.406 13.931 1.00 0.00 C ATOM 868 CG PRO A 840 -3.062 -6.852 15.343 1.00 0.00 C ATOM 869 CD PRO A 840 -3.402 -8.315 15.279 1.00 0.00 C ATOM 0 HA PRO A 840 -2.649 -7.711 12.166 1.00 0.00 H new ATOM 0 HB2 PRO A 840 -2.224 -5.551 13.862 1.00 0.00 H new ATOM 0 HB3 PRO A 840 -3.849 -6.098 13.499 1.00 0.00 H new ATOM 0 HG2 PRO A 840 -2.147 -6.689 15.913 1.00 0.00 H new ATOM 0 HG3 PRO A 840 -3.852 -6.289 15.840 1.00 0.00 H new ATOM 0 HD2 PRO A 840 -3.000 -8.859 16.134 1.00 0.00 H new ATOM 0 HD3 PRO A 840 -4.480 -8.477 15.276 1.00 0.00 H new ATOM 877 N LYS A 841 -0.274 -7.415 11.924 1.00 0.00 N ATOM 878 CA LYS A 841 1.167 -7.321 11.724 1.00 0.00 C ATOM 879 C LYS A 841 1.603 -5.867 11.579 1.00 0.00 C ATOM 880 O LYS A 841 2.778 -5.541 11.743 1.00 0.00 O ATOM 881 CB LYS A 841 1.583 -8.115 10.483 1.00 0.00 C ATOM 882 CG LYS A 841 1.700 -9.610 10.728 1.00 0.00 C ATOM 883 CD LYS A 841 1.663 -10.393 9.427 1.00 0.00 C ATOM 884 CE LYS A 841 2.470 -11.678 9.526 1.00 0.00 C ATOM 885 NZ LYS A 841 2.280 -12.352 10.841 1.00 0.00 N ATOM 0 H LYS A 841 -0.822 -7.377 11.065 1.00 0.00 H new ATOM 0 HA LYS A 841 1.658 -7.743 12.601 1.00 0.00 H new ATOM 0 HB2 LYS A 841 0.856 -7.941 9.690 1.00 0.00 H new ATOM 0 HB3 LYS A 841 2.541 -7.738 10.125 1.00 0.00 H new ATOM 0 HG2 LYS A 841 2.631 -9.821 11.255 1.00 0.00 H new ATOM 0 HG3 LYS A 841 0.886 -9.938 11.375 1.00 0.00 H new ATOM 0 HD2 LYS A 841 0.630 -10.630 9.173 1.00 0.00 H new ATOM 0 HD3 LYS A 841 2.057 -9.776 8.619 1.00 0.00 H new ATOM 0 HE2 LYS A 841 2.174 -12.355 8.725 1.00 0.00 H new ATOM 0 HE3 LYS A 841 3.527 -11.455 9.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 2.183 -13.377 10.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 3.103 -12.165 11.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 1.421 -11.985 11.298 1.00 0.00 H new ATOM 899 N GLY A 842 0.647 -4.995 11.271 1.00 0.00 N ATOM 900 CA GLY A 842 0.952 -3.586 11.111 1.00 0.00 C ATOM 901 C GLY A 842 1.021 -3.169 9.655 1.00 0.00 C ATOM 902 O GLY A 842 1.065 -1.978 9.343 1.00 0.00 O ATOM 0 H GLY A 842 -0.333 -5.240 11.130 1.00 0.00 H new ATOM 0 HA2 GLY A 842 0.192 -2.993 11.620 1.00 0.00 H new ATOM 0 HA3 GLY A 842 1.904 -3.366 11.594 1.00 0.00 H new ATOM 906 N LEU A 843 1.034 -4.151 8.760 1.00 0.00 N ATOM 907 CA LEU A 843 1.101 -3.881 7.328 1.00 0.00 C ATOM 908 C LEU A 843 -0.297 -3.735 6.736 1.00 0.00 C ATOM 909 O LEU A 843 -1.257 -4.326 7.231 1.00 0.00 O ATOM 910 CB LEU A 843 1.856 -5.002 6.612 1.00 0.00 C ATOM 911 CG LEU A 843 3.087 -5.550 7.335 1.00 0.00 C ATOM 912 CD1 LEU A 843 3.465 -6.917 6.784 1.00 0.00 C ATOM 913 CD2 LEU A 843 4.254 -4.581 7.210 1.00 0.00 C ATOM 0 H LEU A 843 0.999 -5.142 9.001 1.00 0.00 H new ATOM 0 HA LEU A 843 1.636 -2.942 7.185 1.00 0.00 H new ATOM 0 HB2 LEU A 843 1.164 -5.826 6.439 1.00 0.00 H new ATOM 0 HB3 LEU A 843 2.167 -4.636 5.633 1.00 0.00 H new ATOM 0 HG LEU A 843 2.845 -5.661 8.392 1.00 0.00 H new ATOM 0 HD11 LEU A 843 4.343 -7.291 7.310 1.00 0.00 H new ATOM 0 HD12 LEU A 843 2.635 -7.609 6.926 1.00 0.00 H new ATOM 0 HD13 LEU A 843 3.688 -6.832 5.721 1.00 0.00 H new ATOM 0 HD21 LEU A 843 5.121 -4.987 7.730 1.00 0.00 H new ATOM 0 HD22 LEU A 843 4.497 -4.438 6.157 1.00 0.00 H new ATOM 0 HD23 LEU A 843 3.981 -3.623 7.653 1.00 0.00 H new ATOM 925 N ALA A 844 -0.404 -2.945 5.673 1.00 0.00 N ATOM 926 CA ALA A 844 -1.684 -2.725 5.010 1.00 0.00 C ATOM 927 C ALA A 844 -1.504 -2.583 3.502 1.00 0.00 C ATOM 928 O ALA A 844 -0.602 -1.886 3.038 1.00 0.00 O ATOM 929 CB ALA A 844 -2.368 -1.492 5.580 1.00 0.00 C ATOM 0 H ALA A 844 0.380 -2.447 5.252 1.00 0.00 H new ATOM 0 HA ALA A 844 -2.315 -3.595 5.194 1.00 0.00 H new ATOM 0 HB1 ALA A 844 -3.322 -1.340 5.076 1.00 0.00 H new ATOM 0 HB2 ALA A 844 -2.540 -1.632 6.647 1.00 0.00 H new ATOM 0 HB3 ALA A 844 -1.733 -0.620 5.426 1.00 0.00 H new ATOM 935 N TYR A 845 -2.368 -3.249 2.743 1.00 0.00 N ATOM 936 CA TYR A 845 -2.302 -3.200 1.288 1.00 0.00 C ATOM 937 C TYR A 845 -3.423 -2.334 0.721 1.00 0.00 C ATOM 938 O TYR A 845 -4.599 -2.551 1.012 1.00 0.00 O ATOM 939 CB TYR A 845 -2.388 -4.611 0.704 1.00 0.00 C ATOM 940 CG TYR A 845 -1.042 -5.277 0.530 1.00 0.00 C ATOM 941 CD1 TYR A 845 -0.380 -5.844 1.613 1.00 0.00 C ATOM 942 CD2 TYR A 845 -0.433 -5.341 -0.717 1.00 0.00 C ATOM 943 CE1 TYR A 845 0.850 -6.453 1.459 1.00 0.00 C ATOM 944 CE2 TYR A 845 0.797 -5.950 -0.880 1.00 0.00 C ATOM 945 CZ TYR A 845 1.434 -6.504 0.210 1.00 0.00 C ATOM 946 OH TYR A 845 2.659 -7.111 0.053 1.00 0.00 O ATOM 0 H TYR A 845 -3.122 -3.829 3.112 1.00 0.00 H new ATOM 0 HA TYR A 845 -1.347 -2.756 1.008 1.00 0.00 H new ATOM 0 HB2 TYR A 845 -3.008 -5.228 1.355 1.00 0.00 H new ATOM 0 HB3 TYR A 845 -2.889 -4.565 -0.263 1.00 0.00 H new ATOM 0 HD1 TYR A 845 -0.835 -5.808 2.592 1.00 0.00 H new ATOM 0 HD2 TYR A 845 -0.929 -4.908 -1.573 1.00 0.00 H new ATOM 0 HE1 TYR A 845 1.352 -6.887 2.311 1.00 0.00 H new ATOM 0 HE2 TYR A 845 1.257 -5.992 -1.856 1.00 0.00 H new ATOM 0 HH TYR A 845 2.930 -7.063 -0.888 1.00 0.00 H new ATOM 956 N VAL A 846 -3.049 -1.350 -0.091 1.00 0.00 N ATOM 957 CA VAL A 846 -4.021 -0.451 -0.701 1.00 0.00 C ATOM 958 C VAL A 846 -4.061 -0.630 -2.214 1.00 0.00 C ATOM 959 O VAL A 846 -3.062 -0.994 -2.832 1.00 0.00 O ATOM 960 CB VAL A 846 -3.705 1.022 -0.377 1.00 0.00 C ATOM 961 CG1 VAL A 846 -4.528 1.951 -1.256 1.00 0.00 C ATOM 962 CG2 VAL A 846 -3.953 1.308 1.096 1.00 0.00 C ATOM 0 H VAL A 846 -2.080 -1.155 -0.341 1.00 0.00 H new ATOM 0 HA VAL A 846 -4.994 -0.706 -0.282 1.00 0.00 H new ATOM 0 HB VAL A 846 -2.651 1.204 -0.586 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -4.291 2.987 -1.013 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -4.295 1.762 -2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -5.589 1.771 -1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -3.725 2.353 1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -4.998 1.109 1.334 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -3.314 0.667 1.704 1.00 0.00 H new ATOM 972 N GLU A 847 -5.224 -0.370 -2.805 1.00 0.00 N ATOM 973 CA GLU A 847 -5.394 -0.504 -4.247 1.00 0.00 C ATOM 974 C GLU A 847 -6.197 0.665 -4.810 1.00 0.00 C ATOM 975 O GLU A 847 -7.410 0.749 -4.616 1.00 0.00 O ATOM 976 CB GLU A 847 -6.091 -1.824 -4.581 1.00 0.00 C ATOM 977 CG GLU A 847 -5.896 -2.269 -6.021 1.00 0.00 C ATOM 978 CD GLU A 847 -6.551 -3.604 -6.313 1.00 0.00 C ATOM 979 OE1 GLU A 847 -6.255 -4.580 -5.591 1.00 0.00 O ATOM 980 OE2 GLU A 847 -7.359 -3.675 -7.263 1.00 0.00 O ATOM 0 H GLU A 847 -6.061 -0.066 -2.308 1.00 0.00 H new ATOM 0 HA GLU A 847 -4.405 -0.498 -4.706 1.00 0.00 H new ATOM 0 HB2 GLU A 847 -5.716 -2.602 -3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 847 -7.158 -1.722 -4.383 1.00 0.00 H new ATOM 0 HG2 GLU A 847 -6.307 -1.513 -6.690 1.00 0.00 H new ATOM 0 HG3 GLU A 847 -4.829 -2.337 -6.235 1.00 0.00 H new ATOM 987 N TYR A 848 -5.512 1.564 -5.508 1.00 0.00 N ATOM 988 CA TYR A 848 -6.160 2.729 -6.098 1.00 0.00 C ATOM 989 C TYR A 848 -6.674 2.416 -7.499 1.00 0.00 C ATOM 990 O TYR A 848 -6.536 1.294 -7.986 1.00 0.00 O ATOM 991 CB TYR A 848 -5.187 3.908 -6.151 1.00 0.00 C ATOM 992 CG TYR A 848 -5.141 4.714 -4.873 1.00 0.00 C ATOM 993 CD1 TYR A 848 -4.455 4.248 -3.758 1.00 0.00 C ATOM 994 CD2 TYR A 848 -5.786 5.942 -4.779 1.00 0.00 C ATOM 995 CE1 TYR A 848 -4.412 4.981 -2.588 1.00 0.00 C ATOM 996 CE2 TYR A 848 -5.746 6.682 -3.614 1.00 0.00 C ATOM 997 CZ TYR A 848 -5.058 6.198 -2.521 1.00 0.00 C ATOM 998 OH TYR A 848 -5.018 6.932 -1.358 1.00 0.00 O ATOM 0 H TYR A 848 -4.508 1.508 -5.679 1.00 0.00 H new ATOM 0 HA TYR A 848 -7.010 2.996 -5.470 1.00 0.00 H new ATOM 0 HB2 TYR A 848 -4.187 3.533 -6.370 1.00 0.00 H new ATOM 0 HB3 TYR A 848 -5.469 4.564 -6.974 1.00 0.00 H new ATOM 0 HD1 TYR A 848 -3.947 3.296 -3.807 1.00 0.00 H new ATOM 0 HD2 TYR A 848 -6.328 6.324 -5.632 1.00 0.00 H new ATOM 0 HE1 TYR A 848 -3.875 4.603 -1.730 1.00 0.00 H new ATOM 0 HE2 TYR A 848 -6.251 7.635 -3.559 1.00 0.00 H new ATOM 0 HH TYR A 848 -5.851 7.439 -1.262 1.00 0.00 H new ATOM 1008 N GLU A 849 -7.267 3.417 -8.143 1.00 0.00 N ATOM 1009 CA GLU A 849 -7.802 3.249 -9.489 1.00 0.00 C ATOM 1010 C GLU A 849 -6.761 3.625 -10.539 1.00 0.00 C ATOM 1011 O GLU A 849 -6.652 2.977 -11.579 1.00 0.00 O ATOM 1012 CB GLU A 849 -9.059 4.102 -9.672 1.00 0.00 C ATOM 1013 CG GLU A 849 -9.783 3.846 -10.984 1.00 0.00 C ATOM 1014 CD GLU A 849 -11.207 4.366 -10.975 1.00 0.00 C ATOM 1015 OE1 GLU A 849 -11.906 4.164 -9.960 1.00 0.00 O ATOM 1016 OE2 GLU A 849 -11.623 4.975 -11.983 1.00 0.00 O ATOM 0 H GLU A 849 -7.389 4.352 -7.754 1.00 0.00 H new ATOM 0 HA GLU A 849 -8.062 2.199 -9.621 1.00 0.00 H new ATOM 0 HB2 GLU A 849 -9.743 3.908 -8.846 1.00 0.00 H new ATOM 0 HB3 GLU A 849 -8.784 5.155 -9.618 1.00 0.00 H new ATOM 0 HG2 GLU A 849 -9.232 4.319 -11.797 1.00 0.00 H new ATOM 0 HG3 GLU A 849 -9.792 2.775 -11.187 1.00 0.00 H new ATOM 1023 N ASN A 850 -6.000 4.677 -10.259 1.00 0.00 N ATOM 1024 CA ASN A 850 -4.968 5.141 -11.179 1.00 0.00 C ATOM 1025 C ASN A 850 -3.594 5.112 -10.516 1.00 0.00 C ATOM 1026 O ASN A 850 -3.486 5.108 -9.290 1.00 0.00 O ATOM 1027 CB ASN A 850 -5.284 6.559 -11.660 1.00 0.00 C ATOM 1028 CG ASN A 850 -4.577 6.900 -12.958 1.00 0.00 C ATOM 1029 OD1 ASN A 850 -4.075 6.018 -13.655 1.00 0.00 O ATOM 1030 ND2 ASN A 850 -4.534 8.186 -13.287 1.00 0.00 N ATOM 0 H ASN A 850 -6.078 5.225 -9.402 1.00 0.00 H new ATOM 0 HA ASN A 850 -4.952 4.468 -12.036 1.00 0.00 H new ATOM 0 HB2 ASN A 850 -6.360 6.662 -11.798 1.00 0.00 H new ATOM 0 HB3 ASN A 850 -4.991 7.274 -10.891 1.00 0.00 H new ATOM 0 HD21 ASN A 850 -4.071 8.477 -14.148 1.00 0.00 H new ATOM 0 HD22 ASN A 850 -4.964 8.883 -12.679 1.00 0.00 H new ATOM 1037 N GLU A 851 -2.548 5.093 -11.336 1.00 0.00 N ATOM 1038 CA GLU A 851 -1.181 5.064 -10.828 1.00 0.00 C ATOM 1039 C GLU A 851 -0.804 6.404 -10.203 1.00 0.00 C ATOM 1040 O GLU A 851 -0.208 6.454 -9.128 1.00 0.00 O ATOM 1041 CB GLU A 851 -0.203 4.720 -11.953 1.00 0.00 C ATOM 1042 CG GLU A 851 -0.253 5.690 -13.121 1.00 0.00 C ATOM 1043 CD GLU A 851 0.806 5.399 -14.167 1.00 0.00 C ATOM 1044 OE1 GLU A 851 1.908 4.951 -13.787 1.00 0.00 O ATOM 1045 OE2 GLU A 851 0.532 5.620 -15.365 1.00 0.00 O ATOM 0 H GLU A 851 -2.621 5.097 -12.353 1.00 0.00 H new ATOM 0 HA GLU A 851 -1.123 4.295 -10.058 1.00 0.00 H new ATOM 0 HB2 GLU A 851 0.810 4.702 -11.550 1.00 0.00 H new ATOM 0 HB3 GLU A 851 -0.419 3.715 -12.316 1.00 0.00 H new ATOM 0 HG2 GLU A 851 -1.238 5.644 -13.585 1.00 0.00 H new ATOM 0 HG3 GLU A 851 -0.122 6.707 -12.750 1.00 0.00 H new ATOM 1052 N SER A 852 -1.157 7.488 -10.887 1.00 0.00 N ATOM 1053 CA SER A 852 -0.852 8.830 -10.402 1.00 0.00 C ATOM 1054 C SER A 852 -1.261 8.985 -8.941 1.00 0.00 C ATOM 1055 O SER A 852 -0.432 9.284 -8.082 1.00 0.00 O ATOM 1056 CB SER A 852 -1.566 9.878 -11.258 1.00 0.00 C ATOM 1057 OG SER A 852 -1.119 9.830 -12.602 1.00 0.00 O ATOM 0 H SER A 852 -1.654 7.464 -11.778 1.00 0.00 H new ATOM 0 HA SER A 852 0.225 8.982 -10.477 1.00 0.00 H new ATOM 0 HB2 SER A 852 -2.642 9.709 -11.223 1.00 0.00 H new ATOM 0 HB3 SER A 852 -1.386 10.871 -10.847 1.00 0.00 H new ATOM 0 HG SER A 852 -1.592 10.508 -13.128 1.00 0.00 H new ATOM 1063 N GLN A 853 -2.546 8.781 -8.667 1.00 0.00 N ATOM 1064 CA GLN A 853 -3.066 8.899 -7.310 1.00 0.00 C ATOM 1065 C GLN A 853 -2.181 8.147 -6.321 1.00 0.00 C ATOM 1066 O GLN A 853 -1.655 8.733 -5.375 1.00 0.00 O ATOM 1067 CB GLN A 853 -4.497 8.364 -7.241 1.00 0.00 C ATOM 1068 CG GLN A 853 -5.514 9.255 -7.936 1.00 0.00 C ATOM 1069 CD GLN A 853 -6.871 8.594 -8.076 1.00 0.00 C ATOM 1070 OE1 GLN A 853 -7.880 9.115 -7.599 1.00 0.00 O ATOM 1071 NE2 GLN A 853 -6.903 7.440 -8.731 1.00 0.00 N ATOM 0 H GLN A 853 -3.246 8.533 -9.367 1.00 0.00 H new ATOM 0 HA GLN A 853 -3.067 9.955 -7.039 1.00 0.00 H new ATOM 0 HB2 GLN A 853 -4.527 7.372 -7.692 1.00 0.00 H new ATOM 0 HB3 GLN A 853 -4.783 8.248 -6.196 1.00 0.00 H new ATOM 0 HG2 GLN A 853 -5.622 10.183 -7.374 1.00 0.00 H new ATOM 0 HG3 GLN A 853 -5.141 9.523 -8.925 1.00 0.00 H new ATOM 0 HE21 GLN A 853 -6.042 7.045 -9.110 1.00 0.00 H new ATOM 0 HE22 GLN A 853 -7.788 6.949 -8.856 1.00 0.00 H new ATOM 1080 N ALA A 854 -2.023 6.847 -6.546 1.00 0.00 N ATOM 1081 CA ALA A 854 -1.201 6.016 -5.675 1.00 0.00 C ATOM 1082 C ALA A 854 0.117 6.706 -5.342 1.00 0.00 C ATOM 1083 O ALA A 854 0.470 6.861 -4.173 1.00 0.00 O ATOM 1084 CB ALA A 854 -0.942 4.665 -6.326 1.00 0.00 C ATOM 0 H ALA A 854 -2.453 6.347 -7.324 1.00 0.00 H new ATOM 0 HA ALA A 854 -1.745 5.860 -4.743 1.00 0.00 H new ATOM 0 HB1 ALA A 854 -0.327 4.054 -5.665 1.00 0.00 H new ATOM 0 HB2 ALA A 854 -1.891 4.161 -6.507 1.00 0.00 H new ATOM 0 HB3 ALA A 854 -0.422 4.811 -7.273 1.00 0.00 H new ATOM 1090 N SER A 855 0.843 7.118 -6.377 1.00 0.00 N ATOM 1091 CA SER A 855 2.125 7.788 -6.193 1.00 0.00 C ATOM 1092 C SER A 855 2.007 8.918 -5.174 1.00 0.00 C ATOM 1093 O SER A 855 2.684 8.913 -4.147 1.00 0.00 O ATOM 1094 CB SER A 855 2.631 8.340 -7.527 1.00 0.00 C ATOM 1095 OG SER A 855 3.921 8.911 -7.386 1.00 0.00 O ATOM 0 H SER A 855 0.565 6.999 -7.351 1.00 0.00 H new ATOM 0 HA SER A 855 2.839 7.056 -5.816 1.00 0.00 H new ATOM 0 HB2 SER A 855 2.663 7.540 -8.267 1.00 0.00 H new ATOM 0 HB3 SER A 855 1.936 9.092 -7.900 1.00 0.00 H new ATOM 0 HG SER A 855 4.223 9.255 -8.253 1.00 0.00 H new ATOM 1101 N GLN A 856 1.142 9.883 -5.468 1.00 0.00 N ATOM 1102 CA GLN A 856 0.935 11.020 -4.579 1.00 0.00 C ATOM 1103 C GLN A 856 0.696 10.554 -3.146 1.00 0.00 C ATOM 1104 O GLN A 856 1.357 11.012 -2.216 1.00 0.00 O ATOM 1105 CB GLN A 856 -0.249 11.861 -5.058 1.00 0.00 C ATOM 1106 CG GLN A 856 -0.236 13.286 -4.530 1.00 0.00 C ATOM 1107 CD GLN A 856 0.809 14.150 -5.207 1.00 0.00 C ATOM 1108 OE1 GLN A 856 1.214 13.883 -6.339 1.00 0.00 O ATOM 1109 NE2 GLN A 856 1.253 15.194 -4.516 1.00 0.00 N ATOM 0 H GLN A 856 0.573 9.900 -6.315 1.00 0.00 H new ATOM 0 HA GLN A 856 1.837 11.632 -4.598 1.00 0.00 H new ATOM 0 HB2 GLN A 856 -0.249 11.886 -6.148 1.00 0.00 H new ATOM 0 HB3 GLN A 856 -1.176 11.377 -4.750 1.00 0.00 H new ATOM 0 HG2 GLN A 856 -1.220 13.732 -4.675 1.00 0.00 H new ATOM 0 HG3 GLN A 856 -0.048 13.270 -3.456 1.00 0.00 H new ATOM 0 HE21 GLN A 856 0.890 15.378 -3.581 1.00 0.00 H new ATOM 0 HE22 GLN A 856 1.957 15.811 -4.921 1.00 0.00 H new ATOM 1118 N ALA A 857 -0.254 9.639 -2.978 1.00 0.00 N ATOM 1119 CA ALA A 857 -0.579 9.110 -1.659 1.00 0.00 C ATOM 1120 C ALA A 857 0.665 8.567 -0.964 1.00 0.00 C ATOM 1121 O ALA A 857 0.777 8.620 0.261 1.00 0.00 O ATOM 1122 CB ALA A 857 -1.639 8.025 -1.773 1.00 0.00 C ATOM 0 H ALA A 857 -0.811 9.249 -3.738 1.00 0.00 H new ATOM 0 HA ALA A 857 -0.974 9.926 -1.054 1.00 0.00 H new ATOM 0 HB1 ALA A 857 -1.872 7.639 -0.781 1.00 0.00 H new ATOM 0 HB2 ALA A 857 -2.541 8.443 -2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 857 -1.265 7.215 -2.399 1.00 0.00 H new ATOM 1128 N VAL A 858 1.597 8.043 -1.753 1.00 0.00 N ATOM 1129 CA VAL A 858 2.833 7.490 -1.213 1.00 0.00 C ATOM 1130 C VAL A 858 3.766 8.595 -0.732 1.00 0.00 C ATOM 1131 O VAL A 858 4.376 8.488 0.332 1.00 0.00 O ATOM 1132 CB VAL A 858 3.569 6.632 -2.260 1.00 0.00 C ATOM 1133 CG1 VAL A 858 4.912 6.166 -1.720 1.00 0.00 C ATOM 1134 CG2 VAL A 858 2.711 5.446 -2.674 1.00 0.00 C ATOM 0 H VAL A 858 1.520 7.990 -2.769 1.00 0.00 H new ATOM 0 HA VAL A 858 2.555 6.860 -0.368 1.00 0.00 H new ATOM 0 HB VAL A 858 3.753 7.245 -3.143 1.00 0.00 H new ATOM 0 HG11 VAL A 858 5.417 5.562 -2.473 1.00 0.00 H new ATOM 0 HG12 VAL A 858 5.527 7.033 -1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 858 4.756 5.569 -0.821 1.00 0.00 H new ATOM 0 HG21 VAL A 858 3.246 4.851 -3.414 1.00 0.00 H new ATOM 0 HG22 VAL A 858 2.495 4.831 -1.801 1.00 0.00 H new ATOM 0 HG23 VAL A 858 1.776 5.806 -3.105 1.00 0.00 H new ATOM 1144 N MET A 859 3.872 9.658 -1.523 1.00 0.00 N ATOM 1145 CA MET A 859 4.730 10.786 -1.176 1.00 0.00 C ATOM 1146 C MET A 859 4.209 11.504 0.064 1.00 0.00 C ATOM 1147 O MET A 859 4.964 12.173 0.771 1.00 0.00 O ATOM 1148 CB MET A 859 4.819 11.765 -2.348 1.00 0.00 C ATOM 1149 CG MET A 859 5.937 11.442 -3.326 1.00 0.00 C ATOM 1150 SD MET A 859 7.575 11.665 -2.607 1.00 0.00 S ATOM 1151 CE MET A 859 8.602 10.903 -3.862 1.00 0.00 C ATOM 0 H MET A 859 3.375 9.762 -2.408 1.00 0.00 H new ATOM 0 HA MET A 859 5.726 10.400 -0.958 1.00 0.00 H new ATOM 0 HB2 MET A 859 3.869 11.767 -2.882 1.00 0.00 H new ATOM 0 HB3 MET A 859 4.967 12.772 -1.959 1.00 0.00 H new ATOM 0 HG2 MET A 859 5.831 10.412 -3.666 1.00 0.00 H new ATOM 0 HG3 MET A 859 5.841 12.079 -4.205 1.00 0.00 H new ATOM 0 HE1 MET A 859 9.648 10.962 -3.561 1.00 0.00 H new ATOM 0 HE2 MET A 859 8.317 9.858 -3.980 1.00 0.00 H new ATOM 0 HE3 MET A 859 8.467 11.425 -4.809 1.00 0.00 H new ATOM 1161 N LYS A 860 2.913 11.363 0.324 1.00 0.00 N ATOM 1162 CA LYS A 860 2.291 11.997 1.479 1.00 0.00 C ATOM 1163 C LYS A 860 2.341 11.080 2.697 1.00 0.00 C ATOM 1164 O LYS A 860 2.881 11.447 3.740 1.00 0.00 O ATOM 1165 CB LYS A 860 0.839 12.365 1.165 1.00 0.00 C ATOM 1166 CG LYS A 860 0.702 13.523 0.192 1.00 0.00 C ATOM 1167 CD LYS A 860 0.672 14.859 0.915 1.00 0.00 C ATOM 1168 CE LYS A 860 0.003 15.934 0.074 1.00 0.00 C ATOM 1169 NZ LYS A 860 0.962 16.583 -0.862 1.00 0.00 N ATOM 0 H LYS A 860 2.273 10.815 -0.251 1.00 0.00 H new ATOM 0 HA LYS A 860 2.849 12.905 1.707 1.00 0.00 H new ATOM 0 HB2 LYS A 860 0.333 11.492 0.752 1.00 0.00 H new ATOM 0 HB3 LYS A 860 0.328 12.619 2.094 1.00 0.00 H new ATOM 0 HG2 LYS A 860 1.534 13.508 -0.512 1.00 0.00 H new ATOM 0 HG3 LYS A 860 -0.211 13.403 -0.391 1.00 0.00 H new ATOM 0 HD2 LYS A 860 0.139 14.751 1.860 1.00 0.00 H new ATOM 0 HD3 LYS A 860 1.690 15.166 1.157 1.00 0.00 H new ATOM 0 HE2 LYS A 860 -0.817 15.493 -0.494 1.00 0.00 H new ATOM 0 HE3 LYS A 860 -0.432 16.689 0.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 0.467 17.310 -1.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 1.731 17.026 -0.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 1.359 15.867 -1.504 1.00 0.00 H new ATOM 1183 N MET A 861 1.776 9.885 2.556 1.00 0.00 N ATOM 1184 CA MET A 861 1.760 8.915 3.644 1.00 0.00 C ATOM 1185 C MET A 861 3.179 8.549 4.068 1.00 0.00 C ATOM 1186 O MET A 861 3.521 8.614 5.248 1.00 0.00 O ATOM 1187 CB MET A 861 1.001 7.655 3.222 1.00 0.00 C ATOM 1188 CG MET A 861 -0.395 7.938 2.690 1.00 0.00 C ATOM 1189 SD MET A 861 -1.643 7.963 3.991 1.00 0.00 S ATOM 1190 CE MET A 861 -2.396 6.353 3.769 1.00 0.00 C ATOM 0 H MET A 861 1.324 9.566 1.699 1.00 0.00 H new ATOM 0 HA MET A 861 1.251 9.370 4.494 1.00 0.00 H new ATOM 0 HB2 MET A 861 1.575 7.134 2.455 1.00 0.00 H new ATOM 0 HB3 MET A 861 0.926 6.982 4.076 1.00 0.00 H new ATOM 0 HG2 MET A 861 -0.395 8.898 2.174 1.00 0.00 H new ATOM 0 HG3 MET A 861 -0.659 7.180 1.953 1.00 0.00 H new ATOM 0 HE1 MET A 861 -3.190 6.218 4.503 1.00 0.00 H new ATOM 0 HE2 MET A 861 -2.815 6.282 2.765 1.00 0.00 H new ATOM 0 HE3 MET A 861 -1.642 5.577 3.903 1.00 0.00 H new ATOM 1200 N ASP A 862 4.001 8.164 3.097 1.00 0.00 N ATOM 1201 CA ASP A 862 5.383 7.788 3.369 1.00 0.00 C ATOM 1202 C ASP A 862 5.986 8.680 4.450 1.00 0.00 C ATOM 1203 O ASP A 862 6.317 9.839 4.200 1.00 0.00 O ATOM 1204 CB ASP A 862 6.219 7.878 2.092 1.00 0.00 C ATOM 1205 CG ASP A 862 7.677 7.536 2.329 1.00 0.00 C ATOM 1206 OD1 ASP A 862 7.988 6.337 2.488 1.00 0.00 O ATOM 1207 OD2 ASP A 862 8.508 8.468 2.354 1.00 0.00 O ATOM 0 H ASP A 862 3.734 8.104 2.115 1.00 0.00 H new ATOM 0 HA ASP A 862 5.390 6.758 3.727 1.00 0.00 H new ATOM 0 HB2 ASP A 862 5.807 7.201 1.343 1.00 0.00 H new ATOM 0 HB3 ASP A 862 6.147 8.886 1.684 1.00 0.00 H new ATOM 1212 N GLY A 863 6.125 8.132 5.653 1.00 0.00 N ATOM 1213 CA GLY A 863 6.686 8.893 6.755 1.00 0.00 C ATOM 1214 C GLY A 863 5.683 9.847 7.372 1.00 0.00 C ATOM 1215 O GLY A 863 5.993 11.012 7.615 1.00 0.00 O ATOM 0 H GLY A 863 5.859 7.175 5.885 1.00 0.00 H new ATOM 0 HA2 GLY A 863 7.047 8.206 7.520 1.00 0.00 H new ATOM 0 HA3 GLY A 863 7.549 9.457 6.401 1.00 0.00 H new ATOM 1219 N MET A 864 4.476 9.351 7.624 1.00 0.00 N ATOM 1220 CA MET A 864 3.423 10.168 8.217 1.00 0.00 C ATOM 1221 C MET A 864 3.156 9.749 9.659 1.00 0.00 C ATOM 1222 O MET A 864 3.365 8.594 10.030 1.00 0.00 O ATOM 1223 CB MET A 864 2.138 10.056 7.395 1.00 0.00 C ATOM 1224 CG MET A 864 1.419 8.728 7.568 1.00 0.00 C ATOM 1225 SD MET A 864 -0.211 8.715 6.798 1.00 0.00 S ATOM 1226 CE MET A 864 -0.954 10.160 7.552 1.00 0.00 C ATOM 0 H MET A 864 4.203 8.388 7.427 1.00 0.00 H new ATOM 0 HA MET A 864 3.758 11.205 8.215 1.00 0.00 H new ATOM 0 HB2 MET A 864 1.464 10.864 7.678 1.00 0.00 H new ATOM 0 HB3 MET A 864 2.378 10.195 6.341 1.00 0.00 H new ATOM 0 HG2 MET A 864 2.026 7.932 7.137 1.00 0.00 H new ATOM 0 HG3 MET A 864 1.316 8.511 8.631 1.00 0.00 H new ATOM 0 HE1 MET A 864 -2.029 10.009 7.645 1.00 0.00 H new ATOM 0 HE2 MET A 864 -0.522 10.317 8.541 1.00 0.00 H new ATOM 0 HE3 MET A 864 -0.763 11.034 6.930 1.00 0.00 H new ATOM 1236 N THR A 865 2.693 10.696 10.469 1.00 0.00 N ATOM 1237 CA THR A 865 2.399 10.425 11.871 1.00 0.00 C ATOM 1238 C THR A 865 0.927 10.079 12.067 1.00 0.00 C ATOM 1239 O THR A 865 0.045 10.764 11.550 1.00 0.00 O ATOM 1240 CB THR A 865 2.754 11.630 12.762 1.00 0.00 C ATOM 1241 OG1 THR A 865 3.948 12.259 12.283 1.00 0.00 O ATOM 1242 CG2 THR A 865 2.950 11.195 14.207 1.00 0.00 C ATOM 0 H THR A 865 2.514 11.657 10.178 1.00 0.00 H new ATOM 0 HA THR A 865 3.012 9.573 12.164 1.00 0.00 H new ATOM 0 HB THR A 865 1.928 12.340 12.721 1.00 0.00 H new ATOM 0 HG1 THR A 865 4.166 13.025 12.854 1.00 0.00 H new ATOM 0 HG21 THR A 865 3.200 12.063 14.817 1.00 0.00 H new ATOM 0 HG22 THR A 865 2.031 10.743 14.579 1.00 0.00 H new ATOM 0 HG23 THR A 865 3.760 10.468 14.261 1.00 0.00 H new ATOM 1250 N ILE A 866 0.670 9.013 12.818 1.00 0.00 N ATOM 1251 CA ILE A 866 -0.695 8.577 13.083 1.00 0.00 C ATOM 1252 C ILE A 866 -0.854 8.117 14.528 1.00 0.00 C ATOM 1253 O ILE A 866 -0.375 7.048 14.907 1.00 0.00 O ATOM 1254 CB ILE A 866 -1.114 7.432 12.142 1.00 0.00 C ATOM 1255 CG1 ILE A 866 -1.211 7.937 10.701 1.00 0.00 C ATOM 1256 CG2 ILE A 866 -2.440 6.837 12.591 1.00 0.00 C ATOM 1257 CD1 ILE A 866 -1.246 6.828 9.673 1.00 0.00 C ATOM 0 H ILE A 866 1.389 8.436 13.253 1.00 0.00 H new ATOM 0 HA ILE A 866 -1.341 9.437 12.905 1.00 0.00 H new ATOM 0 HB ILE A 866 -0.355 6.651 12.183 1.00 0.00 H new ATOM 0 HG12 ILE A 866 -2.109 8.546 10.598 1.00 0.00 H new ATOM 0 HG13 ILE A 866 -0.360 8.586 10.494 1.00 0.00 H new ATOM 0 HG21 ILE A 866 -2.723 6.029 11.916 1.00 0.00 H new ATOM 0 HG22 ILE A 866 -2.339 6.446 13.603 1.00 0.00 H new ATOM 0 HG23 ILE A 866 -3.209 7.609 12.575 1.00 0.00 H new ATOM 0 HD11 ILE A 866 -1.315 7.260 8.674 1.00 0.00 H new ATOM 0 HD12 ILE A 866 -0.336 6.233 9.749 1.00 0.00 H new ATOM 0 HD13 ILE A 866 -2.112 6.191 9.854 1.00 0.00 H new ATOM 1269 N LYS A 867 -1.532 8.930 15.331 1.00 0.00 N ATOM 1270 CA LYS A 867 -1.758 8.606 16.735 1.00 0.00 C ATOM 1271 C LYS A 867 -0.435 8.399 17.465 1.00 0.00 C ATOM 1272 O LYS A 867 -0.302 7.484 18.278 1.00 0.00 O ATOM 1273 CB LYS A 867 -2.623 7.350 16.857 1.00 0.00 C ATOM 1274 CG LYS A 867 -3.995 7.492 16.221 1.00 0.00 C ATOM 1275 CD LYS A 867 -4.995 8.105 17.186 1.00 0.00 C ATOM 1276 CE LYS A 867 -6.281 8.503 16.478 1.00 0.00 C ATOM 1277 NZ LYS A 867 -7.417 8.647 17.430 1.00 0.00 N ATOM 0 H LYS A 867 -1.935 9.819 15.033 1.00 0.00 H new ATOM 0 HA LYS A 867 -2.280 9.444 17.196 1.00 0.00 H new ATOM 0 HB2 LYS A 867 -2.101 6.513 16.392 1.00 0.00 H new ATOM 0 HB3 LYS A 867 -2.745 7.104 17.912 1.00 0.00 H new ATOM 0 HG2 LYS A 867 -3.921 8.113 15.329 1.00 0.00 H new ATOM 0 HG3 LYS A 867 -4.351 6.513 15.899 1.00 0.00 H new ATOM 0 HD2 LYS A 867 -5.221 7.392 17.979 1.00 0.00 H new ATOM 0 HD3 LYS A 867 -4.554 8.981 17.661 1.00 0.00 H new ATOM 0 HE2 LYS A 867 -6.128 9.444 15.950 1.00 0.00 H new ATOM 0 HE3 LYS A 867 -6.529 7.753 15.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 867 -8.275 8.919 16.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 867 -7.580 7.742 17.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 867 -7.191 9.381 18.131 1.00 0.00 H new ATOM 1291 N GLU A 868 0.539 9.255 17.172 1.00 0.00 N ATOM 1292 CA GLU A 868 1.850 9.164 17.802 1.00 0.00 C ATOM 1293 C GLU A 868 2.599 7.923 17.325 1.00 0.00 C ATOM 1294 O GLU A 868 3.233 7.225 18.115 1.00 0.00 O ATOM 1295 CB GLU A 868 1.708 9.132 19.325 1.00 0.00 C ATOM 1296 CG GLU A 868 2.948 9.608 20.063 1.00 0.00 C ATOM 1297 CD GLU A 868 2.972 9.162 21.512 1.00 0.00 C ATOM 1298 OE1 GLU A 868 2.090 9.595 22.282 1.00 0.00 O ATOM 1299 OE2 GLU A 868 3.874 8.378 21.876 1.00 0.00 O ATOM 0 H GLU A 868 0.445 10.019 16.503 1.00 0.00 H new ATOM 0 HA GLU A 868 2.423 10.046 17.516 1.00 0.00 H new ATOM 0 HB2 GLU A 868 0.862 9.754 19.616 1.00 0.00 H new ATOM 0 HB3 GLU A 868 1.478 8.114 19.638 1.00 0.00 H new ATOM 0 HG2 GLU A 868 3.836 9.230 19.556 1.00 0.00 H new ATOM 0 HG3 GLU A 868 2.996 10.696 20.021 1.00 0.00 H new ATOM 1306 N ASN A 869 2.519 7.654 16.025 1.00 0.00 N ATOM 1307 CA ASN A 869 3.188 6.497 15.442 1.00 0.00 C ATOM 1308 C ASN A 869 3.575 6.767 13.991 1.00 0.00 C ATOM 1309 O ASN A 869 2.722 6.776 13.102 1.00 0.00 O ATOM 1310 CB ASN A 869 2.283 5.266 15.519 1.00 0.00 C ATOM 1311 CG ASN A 869 3.058 3.969 15.390 1.00 0.00 C ATOM 1312 OD1 ASN A 869 3.788 3.764 14.420 1.00 0.00 O ATOM 1313 ND2 ASN A 869 2.902 3.087 16.370 1.00 0.00 N ATOM 0 H ASN A 869 1.998 8.221 15.356 1.00 0.00 H new ATOM 0 HA ASN A 869 4.097 6.308 16.013 1.00 0.00 H new ATOM 0 HB2 ASN A 869 1.746 5.272 16.467 1.00 0.00 H new ATOM 0 HB3 ASN A 869 1.534 5.319 14.728 1.00 0.00 H new ATOM 0 HD21 ASN A 869 3.398 2.196 16.338 1.00 0.00 H new ATOM 0 HD22 ASN A 869 2.286 3.300 17.155 1.00 0.00 H new ATOM 1320 N ILE A 870 4.865 6.986 13.759 1.00 0.00 N ATOM 1321 CA ILE A 870 5.364 7.254 12.416 1.00 0.00 C ATOM 1322 C ILE A 870 5.258 6.016 11.532 1.00 0.00 C ATOM 1323 O ILE A 870 5.955 5.024 11.750 1.00 0.00 O ATOM 1324 CB ILE A 870 6.830 7.726 12.445 1.00 0.00 C ATOM 1325 CG1 ILE A 870 6.904 9.208 12.819 1.00 0.00 C ATOM 1326 CG2 ILE A 870 7.492 7.481 11.097 1.00 0.00 C ATOM 1327 CD1 ILE A 870 6.572 9.482 14.270 1.00 0.00 C ATOM 0 H ILE A 870 5.583 6.983 14.483 1.00 0.00 H new ATOM 0 HA ILE A 870 4.743 8.048 12.001 1.00 0.00 H new ATOM 0 HB ILE A 870 7.366 7.152 13.201 1.00 0.00 H new ATOM 0 HG12 ILE A 870 7.907 9.578 12.608 1.00 0.00 H new ATOM 0 HG13 ILE A 870 6.217 9.769 12.185 1.00 0.00 H new ATOM 0 HG21 ILE A 870 8.527 7.820 11.133 1.00 0.00 H new ATOM 0 HG22 ILE A 870 7.466 6.416 10.867 1.00 0.00 H new ATOM 0 HG23 ILE A 870 6.957 8.032 10.323 1.00 0.00 H new ATOM 0 HD11 ILE A 870 6.644 10.552 14.464 1.00 0.00 H new ATOM 0 HD12 ILE A 870 5.558 9.143 14.482 1.00 0.00 H new ATOM 0 HD13 ILE A 870 7.274 8.949 14.911 1.00 0.00 H new ATOM 1339 N ILE A 871 4.383 6.081 10.535 1.00 0.00 N ATOM 1340 CA ILE A 871 4.188 4.967 9.616 1.00 0.00 C ATOM 1341 C ILE A 871 4.895 5.218 8.289 1.00 0.00 C ATOM 1342 O ILE A 871 4.934 6.346 7.797 1.00 0.00 O ATOM 1343 CB ILE A 871 2.692 4.713 9.348 1.00 0.00 C ATOM 1344 CG1 ILE A 871 2.145 5.751 8.367 1.00 0.00 C ATOM 1345 CG2 ILE A 871 1.908 4.743 10.652 1.00 0.00 C ATOM 1346 CD1 ILE A 871 2.502 5.467 6.925 1.00 0.00 C ATOM 0 H ILE A 871 3.797 6.894 10.343 1.00 0.00 H new ATOM 0 HA ILE A 871 4.618 4.086 10.093 1.00 0.00 H new ATOM 0 HB ILE A 871 2.580 3.725 8.902 1.00 0.00 H new ATOM 0 HG12 ILE A 871 1.060 5.793 8.463 1.00 0.00 H new ATOM 0 HG13 ILE A 871 2.527 6.734 8.641 1.00 0.00 H new ATOM 0 HG21 ILE A 871 0.853 4.562 10.446 1.00 0.00 H new ATOM 0 HG22 ILE A 871 2.285 3.970 11.321 1.00 0.00 H new ATOM 0 HG23 ILE A 871 2.024 5.719 11.124 1.00 0.00 H new ATOM 0 HD11 ILE A 871 2.081 6.244 6.286 1.00 0.00 H new ATOM 0 HD12 ILE A 871 3.586 5.454 6.814 1.00 0.00 H new ATOM 0 HD13 ILE A 871 2.096 4.498 6.634 1.00 0.00 H new ATOM 1358 N LYS A 872 5.452 4.158 7.712 1.00 0.00 N ATOM 1359 CA LYS A 872 6.156 4.261 6.439 1.00 0.00 C ATOM 1360 C LYS A 872 5.303 3.714 5.300 1.00 0.00 C ATOM 1361 O LYS A 872 4.414 2.891 5.517 1.00 0.00 O ATOM 1362 CB LYS A 872 7.485 3.504 6.505 1.00 0.00 C ATOM 1363 CG LYS A 872 8.241 3.488 5.188 1.00 0.00 C ATOM 1364 CD LYS A 872 9.649 2.944 5.361 1.00 0.00 C ATOM 1365 CE LYS A 872 10.457 3.070 4.078 1.00 0.00 C ATOM 1366 NZ LYS A 872 10.188 1.944 3.141 1.00 0.00 N ATOM 0 H LYS A 872 5.429 3.217 8.106 1.00 0.00 H new ATOM 0 HA LYS A 872 6.355 5.315 6.246 1.00 0.00 H new ATOM 0 HB2 LYS A 872 8.115 3.958 7.270 1.00 0.00 H new ATOM 0 HB3 LYS A 872 7.294 2.477 6.817 1.00 0.00 H new ATOM 0 HG2 LYS A 872 7.700 2.878 4.464 1.00 0.00 H new ATOM 0 HG3 LYS A 872 8.288 4.498 4.782 1.00 0.00 H new ATOM 0 HD2 LYS A 872 10.152 3.483 6.164 1.00 0.00 H new ATOM 0 HD3 LYS A 872 9.601 1.897 5.661 1.00 0.00 H new ATOM 0 HE2 LYS A 872 10.218 4.014 3.589 1.00 0.00 H new ATOM 0 HE3 LYS A 872 11.520 3.096 4.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 872 10.757 2.066 2.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 872 10.440 1.044 3.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 872 9.179 1.934 2.891 1.00 0.00 H new ATOM 1380 N VAL A 873 5.580 4.176 4.084 1.00 0.00 N ATOM 1381 CA VAL A 873 4.839 3.730 2.910 1.00 0.00 C ATOM 1382 C VAL A 873 5.769 3.525 1.719 1.00 0.00 C ATOM 1383 O VAL A 873 6.738 4.262 1.541 1.00 0.00 O ATOM 1384 CB VAL A 873 3.742 4.739 2.522 1.00 0.00 C ATOM 1385 CG1 VAL A 873 2.761 4.112 1.544 1.00 0.00 C ATOM 1386 CG2 VAL A 873 3.021 5.244 3.763 1.00 0.00 C ATOM 0 H VAL A 873 6.312 4.859 3.887 1.00 0.00 H new ATOM 0 HA VAL A 873 4.373 2.780 3.172 1.00 0.00 H new ATOM 0 HB VAL A 873 4.213 5.591 2.031 1.00 0.00 H new ATOM 0 HG11 VAL A 873 1.993 4.840 1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 873 3.292 3.804 0.643 1.00 0.00 H new ATOM 0 HG13 VAL A 873 2.293 3.242 2.005 1.00 0.00 H new ATOM 0 HG21 VAL A 873 2.249 5.956 3.471 1.00 0.00 H new ATOM 0 HG22 VAL A 873 2.561 4.404 4.284 1.00 0.00 H new ATOM 0 HG23 VAL A 873 3.735 5.734 4.425 1.00 0.00 H new ATOM 1396 N ALA A 874 5.467 2.517 0.907 1.00 0.00 N ATOM 1397 CA ALA A 874 6.274 2.216 -0.269 1.00 0.00 C ATOM 1398 C ALA A 874 5.470 1.432 -1.300 1.00 0.00 C ATOM 1399 O ALA A 874 4.542 0.700 -0.953 1.00 0.00 O ATOM 1400 CB ALA A 874 7.521 1.441 0.131 1.00 0.00 C ATOM 0 H ALA A 874 4.670 1.895 1.042 1.00 0.00 H new ATOM 0 HA ALA A 874 6.576 3.160 -0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 874 8.114 1.223 -0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 874 8.113 2.037 0.825 1.00 0.00 H new ATOM 0 HB3 ALA A 874 7.230 0.507 0.611 1.00 0.00 H new ATOM 1406 N ILE A 875 5.831 1.590 -2.569 1.00 0.00 N ATOM 1407 CA ILE A 875 5.142 0.897 -3.651 1.00 0.00 C ATOM 1408 C ILE A 875 5.172 -0.614 -3.442 1.00 0.00 C ATOM 1409 O ILE A 875 6.227 -1.194 -3.184 1.00 0.00 O ATOM 1410 CB ILE A 875 5.767 1.227 -5.019 1.00 0.00 C ATOM 1411 CG1 ILE A 875 5.611 2.718 -5.329 1.00 0.00 C ATOM 1412 CG2 ILE A 875 5.126 0.384 -6.112 1.00 0.00 C ATOM 1413 CD1 ILE A 875 4.177 3.197 -5.289 1.00 0.00 C ATOM 0 H ILE A 875 6.596 2.192 -2.873 1.00 0.00 H new ATOM 0 HA ILE A 875 4.108 1.243 -3.640 1.00 0.00 H new ATOM 0 HB ILE A 875 6.831 0.991 -4.982 1.00 0.00 H new ATOM 0 HG12 ILE A 875 6.198 3.293 -4.613 1.00 0.00 H new ATOM 0 HG13 ILE A 875 6.026 2.921 -6.316 1.00 0.00 H new ATOM 0 HG21 ILE A 875 5.579 0.629 -7.073 1.00 0.00 H new ATOM 0 HG22 ILE A 875 5.283 -0.673 -5.896 1.00 0.00 H new ATOM 0 HG23 ILE A 875 4.057 0.591 -6.151 1.00 0.00 H new ATOM 0 HD11 ILE A 875 4.143 4.262 -5.518 1.00 0.00 H new ATOM 0 HD12 ILE A 875 3.589 2.648 -6.025 1.00 0.00 H new ATOM 0 HD13 ILE A 875 3.764 3.026 -4.295 1.00 0.00 H new ATOM 1425 N SER A 876 4.009 -1.245 -3.558 1.00 0.00 N ATOM 1426 CA SER A 876 3.901 -2.688 -3.381 1.00 0.00 C ATOM 1427 C SER A 876 4.831 -3.425 -4.340 1.00 0.00 C ATOM 1428 O SER A 876 4.638 -3.396 -5.554 1.00 0.00 O ATOM 1429 CB SER A 876 2.457 -3.145 -3.602 1.00 0.00 C ATOM 1430 OG SER A 876 1.902 -2.538 -4.757 1.00 0.00 O ATOM 0 H SER A 876 3.127 -0.780 -3.774 1.00 0.00 H new ATOM 0 HA SER A 876 4.198 -2.926 -2.359 1.00 0.00 H new ATOM 0 HB2 SER A 876 2.427 -4.230 -3.707 1.00 0.00 H new ATOM 0 HB3 SER A 876 1.855 -2.893 -2.729 1.00 0.00 H new ATOM 0 HG SER A 876 1.957 -1.563 -4.673 1.00 0.00 H new