USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=20 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=-0.00982 X(o=-0.0098,f=-0.28) USER MOD Set 1.2: A 859 MET CE :methyl -174:sc= 0 (180deg=-0.0399) USER MOD Set 2.1: A 826 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 850 ASN : amide:sc= -1.98 K(o=-5.7,f=-6.4!) USER MOD Set 2.3: A 853 GLN :FLIP amide:sc= -3.71 F(o=-8.2!,f=-5.7) USER MOD Set 3.1: A 821 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 861 MET CE :methyl -136:sc= 0 (180deg=-0.248) USER MOD Single : A 801 HIS : no HE2:sc= -3.23! C(o=-3.2!,f=-4!) 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 -170:sc= -0.163 USER MOD Single : A 812 CYS SG : rot 180:sc= 0 USER MOD Single : A 813 THR OG1 : rot 180:sc= -0.0086 USER MOD Single : A 814 LYS NZ :NH3+ -165:sc= -0.868 (180deg=-1.35) USER MOD Single : A 822 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 824 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 828 LYS NZ :NH3+ -126:sc= -0.0715 (180deg=-0.45) USER MOD Single : A 834 THR OG1 : rot 180:sc= 0 USER MOD Single : A 835 ASN : amide:sc= -1.11 K(o=-1.1,f=-3.3!) 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 -179:sc= -0.187 USER MOD Single : A 852 SER OG : rot 180:sc= -0.244 USER MOD Single : A 855 SER OG : rot 180:sc= 0 USER MOD Single : A 860 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 864 MET CE :methyl -122:sc= -0.278 (180deg=-4.18!) 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= -0.0493 K(o=-0.049,f=-1.6!) USER MOD Single : A 872 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 876 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 239 N HIS A 801 0.073 0.601 -9.242 1.00 0.00 N ATOM 240 CA HIS A 801 -1.122 1.222 -8.685 1.00 0.00 C ATOM 241 C HIS A 801 -1.279 0.873 -7.208 1.00 0.00 C ATOM 242 O HIS A 801 -1.704 1.703 -6.404 1.00 0.00 O ATOM 243 CB HIS A 801 -2.363 0.778 -9.460 1.00 0.00 C ATOM 244 CG HIS A 801 -2.662 -0.683 -9.323 1.00 0.00 C ATOM 245 ND1 HIS A 801 -1.791 -1.672 -9.729 1.00 0.00 N ATOM 246 CD2 HIS A 801 -3.745 -1.322 -8.821 1.00 0.00 C ATOM 247 CE1 HIS A 801 -2.325 -2.855 -9.484 1.00 0.00 C ATOM 248 NE2 HIS A 801 -3.510 -2.670 -8.932 1.00 0.00 N ATOM 0 HA HIS A 801 -1.014 2.303 -8.775 1.00 0.00 H new ATOM 0 HB2 HIS A 801 -3.223 1.351 -9.113 1.00 0.00 H new ATOM 0 HB3 HIS A 801 -2.227 1.016 -10.515 1.00 0.00 H new ATOM 0 HD1 HIS A 801 -0.877 -1.514 -10.153 1.00 0.00 H new ATOM 0 HD2 HIS A 801 -4.629 -0.858 -8.410 1.00 0.00 H new ATOM 0 HE1 HIS A 801 -1.870 -3.811 -9.699 1.00 0.00 H new ATOM 256 N LYS A 802 -0.932 -0.361 -6.857 1.00 0.00 N ATOM 257 CA LYS A 802 -1.033 -0.821 -5.477 1.00 0.00 C ATOM 258 C LYS A 802 -0.001 -0.127 -4.595 1.00 0.00 C ATOM 259 O LYS A 802 1.003 0.391 -5.086 1.00 0.00 O ATOM 260 CB LYS A 802 -0.841 -2.338 -5.409 1.00 0.00 C ATOM 261 CG LYS A 802 -1.930 -3.122 -6.120 1.00 0.00 C ATOM 262 CD LYS A 802 -1.614 -4.608 -6.157 1.00 0.00 C ATOM 263 CE LYS A 802 -2.113 -5.316 -4.907 1.00 0.00 C ATOM 264 NZ LYS A 802 -1.470 -6.647 -4.729 1.00 0.00 N ATOM 0 H LYS A 802 -0.578 -1.061 -7.510 1.00 0.00 H new ATOM 0 HA LYS A 802 -2.027 -0.570 -5.108 1.00 0.00 H new ATOM 0 HB2 LYS A 802 0.124 -2.594 -5.847 1.00 0.00 H new ATOM 0 HB3 LYS A 802 -0.808 -2.645 -4.364 1.00 0.00 H new ATOM 0 HG2 LYS A 802 -2.882 -2.964 -5.614 1.00 0.00 H new ATOM 0 HG3 LYS A 802 -2.044 -2.748 -7.137 1.00 0.00 H new ATOM 0 HD2 LYS A 802 -2.073 -5.057 -7.038 1.00 0.00 H new ATOM 0 HD3 LYS A 802 -0.537 -4.750 -6.251 1.00 0.00 H new ATOM 0 HE2 LYS A 802 -1.912 -4.696 -4.034 1.00 0.00 H new ATOM 0 HE3 LYS A 802 -3.194 -5.440 -4.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 802 -1.837 -7.097 -3.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 802 -1.683 -7.248 -5.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 802 -0.440 -6.527 -4.646 1.00 0.00 H new ATOM 278 N LEU A 803 -0.253 -0.120 -3.291 1.00 0.00 N ATOM 279 CA LEU A 803 0.656 0.509 -2.339 1.00 0.00 C ATOM 280 C LEU A 803 0.904 -0.399 -1.139 1.00 0.00 C ATOM 281 O LEU A 803 0.180 -1.372 -0.924 1.00 0.00 O ATOM 282 CB LEU A 803 0.087 1.849 -1.870 1.00 0.00 C ATOM 283 CG LEU A 803 -0.526 2.735 -2.955 1.00 0.00 C ATOM 284 CD1 LEU A 803 -1.399 3.814 -2.333 1.00 0.00 C ATOM 285 CD2 LEU A 803 0.565 3.359 -3.813 1.00 0.00 C ATOM 0 H LEU A 803 -1.079 -0.543 -2.868 1.00 0.00 H new ATOM 0 HA LEU A 803 1.607 0.681 -2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 803 -0.675 1.653 -1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 803 0.884 2.408 -1.380 1.00 0.00 H new ATOM 0 HG LEU A 803 -1.153 2.113 -3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 803 -1.827 4.435 -3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 803 -2.202 3.348 -1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 803 -0.795 4.434 -1.670 1.00 0.00 H new ATOM 0 HD21 LEU A 803 0.111 3.986 -4.580 1.00 0.00 H new ATOM 0 HD22 LEU A 803 1.217 3.967 -3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 803 1.150 2.571 -4.288 1.00 0.00 H new ATOM 297 N PHE A 804 1.930 -0.075 -0.359 1.00 0.00 N ATOM 298 CA PHE A 804 2.272 -0.861 0.820 1.00 0.00 C ATOM 299 C PHE A 804 2.626 0.046 1.995 1.00 0.00 C ATOM 300 O PHE A 804 3.343 1.034 1.835 1.00 0.00 O ATOM 301 CB PHE A 804 3.443 -1.797 0.513 1.00 0.00 C ATOM 302 CG PHE A 804 4.142 -2.306 1.741 1.00 0.00 C ATOM 303 CD1 PHE A 804 5.095 -1.531 2.383 1.00 0.00 C ATOM 304 CD2 PHE A 804 3.845 -3.558 2.255 1.00 0.00 C ATOM 305 CE1 PHE A 804 5.740 -1.998 3.513 1.00 0.00 C ATOM 306 CE2 PHE A 804 4.487 -4.029 3.385 1.00 0.00 C ATOM 307 CZ PHE A 804 5.434 -3.248 4.015 1.00 0.00 C ATOM 0 H PHE A 804 2.539 0.727 -0.522 1.00 0.00 H new ATOM 0 HA PHE A 804 1.401 -1.457 1.093 1.00 0.00 H new ATOM 0 HB2 PHE A 804 3.077 -2.646 -0.065 1.00 0.00 H new ATOM 0 HB3 PHE A 804 4.163 -1.271 -0.114 1.00 0.00 H new ATOM 0 HD1 PHE A 804 5.336 -0.552 1.996 1.00 0.00 H new ATOM 0 HD2 PHE A 804 3.103 -4.173 1.767 1.00 0.00 H new ATOM 0 HE1 PHE A 804 6.483 -1.386 4.003 1.00 0.00 H new ATOM 0 HE2 PHE A 804 4.248 -5.007 3.774 1.00 0.00 H new ATOM 0 HZ PHE A 804 5.935 -3.613 4.899 1.00 0.00 H new ATOM 317 N ILE A 805 2.117 -0.297 3.173 1.00 0.00 N ATOM 318 CA ILE A 805 2.379 0.486 4.375 1.00 0.00 C ATOM 319 C ILE A 805 2.774 -0.413 5.541 1.00 0.00 C ATOM 320 O ILE A 805 2.190 -1.478 5.743 1.00 0.00 O ATOM 321 CB ILE A 805 1.152 1.324 4.780 1.00 0.00 C ATOM 322 CG1 ILE A 805 0.481 1.918 3.539 1.00 0.00 C ATOM 323 CG2 ILE A 805 1.558 2.425 5.747 1.00 0.00 C ATOM 324 CD1 ILE A 805 -0.853 2.570 3.828 1.00 0.00 C ATOM 0 H ILE A 805 1.521 -1.111 3.321 1.00 0.00 H new ATOM 0 HA ILE A 805 3.205 1.157 4.140 1.00 0.00 H new ATOM 0 HB ILE A 805 0.436 0.673 5.281 1.00 0.00 H new ATOM 0 HG12 ILE A 805 1.148 2.656 3.093 1.00 0.00 H new ATOM 0 HG13 ILE A 805 0.339 1.129 2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 805 0.680 3.008 6.024 1.00 0.00 H new ATOM 0 HG22 ILE A 805 1.995 1.981 6.641 1.00 0.00 H new ATOM 0 HG23 ILE A 805 2.291 3.076 5.270 1.00 0.00 H new ATOM 0 HD11 ILE A 805 -1.271 2.969 2.904 1.00 0.00 H new ATOM 0 HD12 ILE A 805 -1.536 1.831 4.246 1.00 0.00 H new ATOM 0 HD13 ILE A 805 -0.714 3.381 4.543 1.00 0.00 H new ATOM 336 N SER A 806 3.768 0.024 6.308 1.00 0.00 N ATOM 337 CA SER A 806 4.244 -0.742 7.454 1.00 0.00 C ATOM 338 C SER A 806 4.459 0.164 8.662 1.00 0.00 C ATOM 339 O SER A 806 4.577 1.381 8.526 1.00 0.00 O ATOM 340 CB SER A 806 5.546 -1.465 7.106 1.00 0.00 C ATOM 341 OG SER A 806 6.569 -0.543 6.773 1.00 0.00 O ATOM 0 H SER A 806 4.259 0.905 6.156 1.00 0.00 H new ATOM 0 HA SER A 806 3.483 -1.481 7.707 1.00 0.00 H new ATOM 0 HB2 SER A 806 5.864 -2.075 7.951 1.00 0.00 H new ATOM 0 HB3 SER A 806 5.377 -2.143 6.269 1.00 0.00 H new ATOM 0 HG SER A 806 7.391 -1.031 6.556 1.00 0.00 H new ATOM 347 N GLY A 807 4.508 -0.439 9.846 1.00 0.00 N ATOM 348 CA GLY A 807 4.709 0.328 11.061 1.00 0.00 C ATOM 349 C GLY A 807 3.448 1.038 11.514 1.00 0.00 C ATOM 350 O GLY A 807 3.505 2.161 12.016 1.00 0.00 O ATOM 0 H GLY A 807 4.412 -1.445 9.985 1.00 0.00 H new ATOM 0 HA2 GLY A 807 5.053 -0.336 11.854 1.00 0.00 H new ATOM 0 HA3 GLY A 807 5.497 1.063 10.897 1.00 0.00 H new ATOM 354 N LEU A 808 2.306 0.383 11.335 1.00 0.00 N ATOM 355 CA LEU A 808 1.025 0.959 11.727 1.00 0.00 C ATOM 356 C LEU A 808 0.592 0.445 13.096 1.00 0.00 C ATOM 357 O LEU A 808 0.818 -0.712 13.451 1.00 0.00 O ATOM 358 CB LEU A 808 -0.045 0.630 10.684 1.00 0.00 C ATOM 359 CG LEU A 808 0.035 1.409 9.371 1.00 0.00 C ATOM 360 CD1 LEU A 808 -0.774 0.714 8.287 1.00 0.00 C ATOM 361 CD2 LEU A 808 -0.451 2.838 9.568 1.00 0.00 C ATOM 0 H LEU A 808 2.241 -0.547 10.921 1.00 0.00 H new ATOM 0 HA LEU A 808 1.145 2.041 11.787 1.00 0.00 H new ATOM 0 HB2 LEU A 808 0.014 -0.434 10.456 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -1.024 0.807 11.129 1.00 0.00 H new ATOM 0 HG LEU A 808 1.077 1.441 9.053 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -0.705 1.283 7.360 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -0.381 -0.290 8.127 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -1.817 0.650 8.596 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -0.387 3.378 8.623 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -1.486 2.826 9.910 1.00 0.00 H new ATOM 0 HD23 LEU A 808 0.171 3.335 10.312 1.00 0.00 H new ATOM 373 N PRO A 809 -0.047 1.322 13.883 1.00 0.00 N ATOM 374 CA PRO A 809 -0.527 0.978 15.225 1.00 0.00 C ATOM 375 C PRO A 809 -1.702 0.007 15.189 1.00 0.00 C ATOM 376 O PRO A 809 -2.683 0.230 14.480 1.00 0.00 O ATOM 377 CB PRO A 809 -0.966 2.327 15.801 1.00 0.00 C ATOM 378 CG PRO A 809 -1.292 3.160 14.610 1.00 0.00 C ATOM 379 CD PRO A 809 -0.350 2.718 13.525 1.00 0.00 C ATOM 0 HA PRO A 809 0.239 0.475 15.816 1.00 0.00 H new ATOM 0 HB2 PRO A 809 -1.831 2.216 16.455 1.00 0.00 H new ATOM 0 HB3 PRO A 809 -0.173 2.780 16.396 1.00 0.00 H new ATOM 0 HG2 PRO A 809 -2.330 3.019 14.307 1.00 0.00 H new ATOM 0 HG3 PRO A 809 -1.165 4.220 14.829 1.00 0.00 H new ATOM 0 HD2 PRO A 809 -0.811 2.789 12.540 1.00 0.00 H new ATOM 0 HD3 PRO A 809 0.551 3.331 13.501 1.00 0.00 H new ATOM 387 N PHE A 810 -1.596 -1.071 15.958 1.00 0.00 N ATOM 388 CA PHE A 810 -2.650 -2.078 16.013 1.00 0.00 C ATOM 389 C PHE A 810 -4.024 -1.421 16.106 1.00 0.00 C ATOM 390 O PHE A 810 -5.002 -1.922 15.551 1.00 0.00 O ATOM 391 CB PHE A 810 -2.434 -3.007 17.209 1.00 0.00 C ATOM 392 CG PHE A 810 -0.987 -3.264 17.516 1.00 0.00 C ATOM 393 CD1 PHE A 810 -0.217 -4.055 16.679 1.00 0.00 C ATOM 394 CD2 PHE A 810 -0.396 -2.713 18.642 1.00 0.00 C ATOM 395 CE1 PHE A 810 1.116 -4.292 16.958 1.00 0.00 C ATOM 396 CE2 PHE A 810 0.937 -2.947 18.926 1.00 0.00 C ATOM 397 CZ PHE A 810 1.693 -3.738 18.084 1.00 0.00 C ATOM 0 H PHE A 810 -0.791 -1.270 16.552 1.00 0.00 H new ATOM 0 HA PHE A 810 -2.608 -2.664 15.095 1.00 0.00 H new ATOM 0 HB2 PHE A 810 -2.912 -2.572 18.087 1.00 0.00 H new ATOM 0 HB3 PHE A 810 -2.930 -3.958 17.014 1.00 0.00 H new ATOM 0 HD1 PHE A 810 -0.664 -4.492 15.798 1.00 0.00 H new ATOM 0 HD2 PHE A 810 -0.983 -2.094 19.305 1.00 0.00 H new ATOM 0 HE1 PHE A 810 1.705 -4.909 16.296 1.00 0.00 H new ATOM 0 HE2 PHE A 810 1.386 -2.511 19.806 1.00 0.00 H new ATOM 0 HZ PHE A 810 2.734 -3.923 18.305 1.00 0.00 H new ATOM 407 N SER A 811 -4.090 -0.297 16.813 1.00 0.00 N ATOM 408 CA SER A 811 -5.344 0.426 16.984 1.00 0.00 C ATOM 409 C SER A 811 -5.990 0.719 15.633 1.00 0.00 C ATOM 410 O SER A 811 -7.169 0.430 15.421 1.00 0.00 O ATOM 411 CB SER A 811 -5.105 1.734 17.741 1.00 0.00 C ATOM 412 OG SER A 811 -4.246 2.595 17.013 1.00 0.00 O ATOM 0 H SER A 811 -3.289 0.132 17.277 1.00 0.00 H new ATOM 0 HA SER A 811 -6.021 -0.202 17.563 1.00 0.00 H new ATOM 0 HB2 SER A 811 -6.057 2.233 17.921 1.00 0.00 H new ATOM 0 HB3 SER A 811 -4.668 1.519 18.716 1.00 0.00 H new ATOM 0 HG SER A 811 -3.982 3.350 17.580 1.00 0.00 H new ATOM 418 N CYS A 812 -5.211 1.293 14.724 1.00 0.00 N ATOM 419 CA CYS A 812 -5.706 1.626 13.393 1.00 0.00 C ATOM 420 C CYS A 812 -6.618 0.526 12.861 1.00 0.00 C ATOM 421 O CYS A 812 -6.536 -0.626 13.289 1.00 0.00 O ATOM 422 CB CYS A 812 -4.537 1.846 12.431 1.00 0.00 C ATOM 423 SG CYS A 812 -4.890 3.010 11.093 1.00 0.00 S ATOM 0 H CYS A 812 -4.234 1.538 14.884 1.00 0.00 H new ATOM 0 HA CYS A 812 -6.284 2.547 13.468 1.00 0.00 H new ATOM 0 HB2 CYS A 812 -3.679 2.209 12.996 1.00 0.00 H new ATOM 0 HB3 CYS A 812 -4.251 0.887 11.998 1.00 0.00 H new ATOM 0 HG CYS A 812 -3.841 3.131 10.335 1.00 0.00 H new ATOM 429 N THR A 813 -7.490 0.888 11.925 1.00 0.00 N ATOM 430 CA THR A 813 -8.420 -0.067 11.336 1.00 0.00 C ATOM 431 C THR A 813 -8.741 0.297 9.891 1.00 0.00 C ATOM 432 O THR A 813 -8.574 1.444 9.477 1.00 0.00 O ATOM 433 CB THR A 813 -9.733 -0.140 12.138 1.00 0.00 C ATOM 434 OG1 THR A 813 -10.536 -1.228 11.666 1.00 0.00 O ATOM 435 CG2 THR A 813 -10.513 1.161 12.021 1.00 0.00 C ATOM 0 H THR A 813 -7.571 1.836 11.559 1.00 0.00 H new ATOM 0 HA THR A 813 -7.931 -1.041 11.363 1.00 0.00 H new ATOM 0 HB THR A 813 -9.483 -0.302 13.187 1.00 0.00 H new ATOM 0 HG1 THR A 813 -11.368 -1.268 12.182 1.00 0.00 H new ATOM 0 HG21 THR A 813 -11.436 1.085 12.596 1.00 0.00 H new ATOM 0 HG22 THR A 813 -9.911 1.982 12.409 1.00 0.00 H new ATOM 0 HG23 THR A 813 -10.752 1.349 10.974 1.00 0.00 H new ATOM 443 N LYS A 814 -9.204 -0.687 9.127 1.00 0.00 N ATOM 444 CA LYS A 814 -9.550 -0.470 7.727 1.00 0.00 C ATOM 445 C LYS A 814 -10.152 0.917 7.524 1.00 0.00 C ATOM 446 O LYS A 814 -9.565 1.764 6.851 1.00 0.00 O ATOM 447 CB LYS A 814 -10.537 -1.540 7.254 1.00 0.00 C ATOM 448 CG LYS A 814 -10.665 -1.623 5.742 1.00 0.00 C ATOM 449 CD LYS A 814 -9.665 -2.603 5.152 1.00 0.00 C ATOM 450 CE LYS A 814 -10.231 -4.014 5.099 1.00 0.00 C ATOM 451 NZ LYS A 814 -10.269 -4.647 6.446 1.00 0.00 N ATOM 0 H LYS A 814 -9.348 -1.642 9.454 1.00 0.00 H new ATOM 0 HA LYS A 814 -8.636 -0.540 7.137 1.00 0.00 H new ATOM 0 HB2 LYS A 814 -10.220 -2.510 7.637 1.00 0.00 H new ATOM 0 HB3 LYS A 814 -11.518 -1.333 7.683 1.00 0.00 H new ATOM 0 HG2 LYS A 814 -11.677 -1.930 5.478 1.00 0.00 H new ATOM 0 HG3 LYS A 814 -10.508 -0.636 5.308 1.00 0.00 H new ATOM 0 HD2 LYS A 814 -9.390 -2.283 4.147 1.00 0.00 H new ATOM 0 HD3 LYS A 814 -8.753 -2.598 5.749 1.00 0.00 H new ATOM 0 HE2 LYS A 814 -11.238 -3.986 4.682 1.00 0.00 H new ATOM 0 HE3 LYS A 814 -9.625 -4.623 4.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 814 -10.414 -5.672 6.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 814 -9.369 -4.472 6.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 814 -11.050 -4.240 6.999 1.00 0.00 H new ATOM 465 N GLU A 815 -11.323 1.141 8.110 1.00 0.00 N ATOM 466 CA GLU A 815 -12.002 2.426 7.993 1.00 0.00 C ATOM 467 C GLU A 815 -10.997 3.575 7.995 1.00 0.00 C ATOM 468 O GLU A 815 -10.769 4.214 6.969 1.00 0.00 O ATOM 469 CB GLU A 815 -13.002 2.607 9.137 1.00 0.00 C ATOM 470 CG GLU A 815 -14.290 1.823 8.949 1.00 0.00 C ATOM 471 CD GLU A 815 -14.158 0.373 9.373 1.00 0.00 C ATOM 472 OE1 GLU A 815 -14.084 0.115 10.593 1.00 0.00 O ATOM 473 OE2 GLU A 815 -14.128 -0.504 8.484 1.00 0.00 O ATOM 0 H GLU A 815 -11.821 0.450 8.670 1.00 0.00 H new ATOM 0 HA GLU A 815 -12.540 2.438 7.045 1.00 0.00 H new ATOM 0 HB2 GLU A 815 -12.532 2.299 10.071 1.00 0.00 H new ATOM 0 HB3 GLU A 815 -13.242 3.666 9.235 1.00 0.00 H new ATOM 0 HG2 GLU A 815 -15.086 2.295 9.525 1.00 0.00 H new ATOM 0 HG3 GLU A 815 -14.587 1.866 7.901 1.00 0.00 H new ATOM 480 N GLU A 816 -10.400 3.829 9.155 1.00 0.00 N ATOM 481 CA GLU A 816 -9.421 4.901 9.291 1.00 0.00 C ATOM 482 C GLU A 816 -8.574 5.027 8.028 1.00 0.00 C ATOM 483 O GLU A 816 -8.664 6.018 7.303 1.00 0.00 O ATOM 484 CB GLU A 816 -8.519 4.647 10.500 1.00 0.00 C ATOM 485 CG GLU A 816 -9.210 4.876 11.834 1.00 0.00 C ATOM 486 CD GLU A 816 -9.742 6.289 11.981 1.00 0.00 C ATOM 487 OE1 GLU A 816 -8.930 7.207 12.220 1.00 0.00 O ATOM 488 OE2 GLU A 816 -10.970 6.475 11.855 1.00 0.00 O ATOM 0 H GLU A 816 -10.577 3.308 10.014 1.00 0.00 H new ATOM 0 HA GLU A 816 -9.961 5.836 9.440 1.00 0.00 H new ATOM 0 HB2 GLU A 816 -8.154 3.621 10.461 1.00 0.00 H new ATOM 0 HB3 GLU A 816 -7.647 5.298 10.435 1.00 0.00 H new ATOM 0 HG2 GLU A 816 -10.033 4.169 11.939 1.00 0.00 H new ATOM 0 HG3 GLU A 816 -8.508 4.670 12.642 1.00 0.00 H new ATOM 495 N LEU A 817 -7.751 4.016 7.772 1.00 0.00 N ATOM 496 CA LEU A 817 -6.886 4.013 6.597 1.00 0.00 C ATOM 497 C LEU A 817 -7.666 4.403 5.346 1.00 0.00 C ATOM 498 O LEU A 817 -7.360 5.405 4.700 1.00 0.00 O ATOM 499 CB LEU A 817 -6.254 2.633 6.408 1.00 0.00 C ATOM 500 CG LEU A 817 -4.876 2.610 5.747 1.00 0.00 C ATOM 501 CD1 LEU A 817 -3.893 3.466 6.530 1.00 0.00 C ATOM 502 CD2 LEU A 817 -4.365 1.181 5.628 1.00 0.00 C ATOM 0 H LEU A 817 -7.664 3.188 8.362 1.00 0.00 H new ATOM 0 HA LEU A 817 -6.097 4.748 6.755 1.00 0.00 H new ATOM 0 HB2 LEU A 817 -6.174 2.155 7.385 1.00 0.00 H new ATOM 0 HB3 LEU A 817 -6.932 2.024 5.810 1.00 0.00 H new ATOM 0 HG LEU A 817 -4.969 3.026 4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 817 -2.918 3.437 6.044 1.00 0.00 H new ATOM 0 HD12 LEU A 817 -4.252 4.495 6.562 1.00 0.00 H new ATOM 0 HD13 LEU A 817 -3.804 3.081 7.546 1.00 0.00 H new ATOM 0 HD21 LEU A 817 -3.383 1.184 5.155 1.00 0.00 H new ATOM 0 HD22 LEU A 817 -4.288 0.738 6.621 1.00 0.00 H new ATOM 0 HD23 LEU A 817 -5.057 0.596 5.022 1.00 0.00 H new ATOM 514 N GLU A 818 -8.676 3.606 5.011 1.00 0.00 N ATOM 515 CA GLU A 818 -9.500 3.870 3.838 1.00 0.00 C ATOM 516 C GLU A 818 -9.820 5.357 3.721 1.00 0.00 C ATOM 517 O GLU A 818 -9.573 5.976 2.687 1.00 0.00 O ATOM 518 CB GLU A 818 -10.797 3.062 3.906 1.00 0.00 C ATOM 519 CG GLU A 818 -11.511 2.943 2.570 1.00 0.00 C ATOM 520 CD GLU A 818 -12.481 4.082 2.324 1.00 0.00 C ATOM 521 OE1 GLU A 818 -12.266 5.177 2.885 1.00 0.00 O ATOM 522 OE2 GLU A 818 -13.455 3.878 1.569 1.00 0.00 O ATOM 0 H GLU A 818 -8.943 2.773 5.535 1.00 0.00 H new ATOM 0 HA GLU A 818 -8.937 3.567 2.955 1.00 0.00 H new ATOM 0 HB2 GLU A 818 -10.573 2.063 4.279 1.00 0.00 H new ATOM 0 HB3 GLU A 818 -11.468 3.529 4.627 1.00 0.00 H new ATOM 0 HG2 GLU A 818 -10.773 2.920 1.768 1.00 0.00 H new ATOM 0 HG3 GLU A 818 -12.051 1.997 2.534 1.00 0.00 H new ATOM 529 N GLU A 819 -10.372 5.924 4.790 1.00 0.00 N ATOM 530 CA GLU A 819 -10.728 7.338 4.807 1.00 0.00 C ATOM 531 C GLU A 819 -9.506 8.209 4.529 1.00 0.00 C ATOM 532 O GLU A 819 -9.613 9.265 3.904 1.00 0.00 O ATOM 533 CB GLU A 819 -11.341 7.716 6.157 1.00 0.00 C ATOM 534 CG GLU A 819 -12.635 6.982 6.464 1.00 0.00 C ATOM 535 CD GLU A 819 -12.962 6.971 7.945 1.00 0.00 C ATOM 536 OE1 GLU A 819 -12.086 6.575 8.742 1.00 0.00 O ATOM 537 OE2 GLU A 819 -14.092 7.358 8.307 1.00 0.00 O ATOM 0 H GLU A 819 -10.582 5.426 5.655 1.00 0.00 H new ATOM 0 HA GLU A 819 -11.463 7.511 4.021 1.00 0.00 H new ATOM 0 HB2 GLU A 819 -10.619 7.507 6.946 1.00 0.00 H new ATOM 0 HB3 GLU A 819 -11.529 8.789 6.173 1.00 0.00 H new ATOM 0 HG2 GLU A 819 -13.453 7.452 5.919 1.00 0.00 H new ATOM 0 HG3 GLU A 819 -12.560 5.956 6.105 1.00 0.00 H new ATOM 544 N ILE A 820 -8.347 7.759 4.997 1.00 0.00 N ATOM 545 CA ILE A 820 -7.106 8.497 4.799 1.00 0.00 C ATOM 546 C ILE A 820 -6.591 8.333 3.373 1.00 0.00 C ATOM 547 O ILE A 820 -5.926 9.220 2.836 1.00 0.00 O ATOM 548 CB ILE A 820 -6.014 8.037 5.783 1.00 0.00 C ATOM 549 CG1 ILE A 820 -6.471 8.259 7.226 1.00 0.00 C ATOM 550 CG2 ILE A 820 -4.712 8.777 5.514 1.00 0.00 C ATOM 551 CD1 ILE A 820 -5.589 7.580 8.250 1.00 0.00 C ATOM 0 H ILE A 820 -8.241 6.887 5.516 1.00 0.00 H new ATOM 0 HA ILE A 820 -7.331 9.548 4.984 1.00 0.00 H new ATOM 0 HB ILE A 820 -5.840 6.971 5.637 1.00 0.00 H new ATOM 0 HG12 ILE A 820 -6.494 9.329 7.431 1.00 0.00 H new ATOM 0 HG13 ILE A 820 -7.491 7.891 7.336 1.00 0.00 H new ATOM 0 HG21 ILE A 820 -3.950 8.441 6.218 1.00 0.00 H new ATOM 0 HG22 ILE A 820 -4.381 8.573 4.496 1.00 0.00 H new ATOM 0 HG23 ILE A 820 -4.871 9.849 5.636 1.00 0.00 H new ATOM 0 HD11 ILE A 820 -5.973 7.780 9.250 1.00 0.00 H new ATOM 0 HD12 ILE A 820 -5.585 6.505 8.071 1.00 0.00 H new ATOM 0 HD13 ILE A 820 -4.573 7.965 8.167 1.00 0.00 H new ATOM 563 N CYS A 821 -6.904 7.195 2.764 1.00 0.00 N ATOM 564 CA CYS A 821 -6.474 6.915 1.398 1.00 0.00 C ATOM 565 C CYS A 821 -7.392 7.596 0.389 1.00 0.00 C ATOM 566 O CYS A 821 -6.952 8.426 -0.406 1.00 0.00 O ATOM 567 CB CYS A 821 -6.450 5.406 1.148 1.00 0.00 C ATOM 568 SG CYS A 821 -5.204 4.518 2.111 1.00 0.00 S ATOM 0 H CYS A 821 -7.454 6.451 3.194 1.00 0.00 H new ATOM 0 HA CYS A 821 -5.467 7.313 1.271 1.00 0.00 H new ATOM 0 HB2 CYS A 821 -7.433 4.995 1.378 1.00 0.00 H new ATOM 0 HB3 CYS A 821 -6.270 5.227 0.088 1.00 0.00 H new ATOM 0 HG CYS A 821 -5.263 3.250 1.833 1.00 0.00 H new ATOM 574 N LYS A 822 -8.671 7.237 0.424 1.00 0.00 N ATOM 575 CA LYS A 822 -9.653 7.812 -0.488 1.00 0.00 C ATOM 576 C LYS A 822 -9.477 9.323 -0.594 1.00 0.00 C ATOM 577 O LYS A 822 -9.797 9.924 -1.619 1.00 0.00 O ATOM 578 CB LYS A 822 -11.072 7.485 -0.014 1.00 0.00 C ATOM 579 CG LYS A 822 -11.439 8.142 1.305 1.00 0.00 C ATOM 580 CD LYS A 822 -12.073 9.506 1.091 1.00 0.00 C ATOM 581 CE LYS A 822 -13.517 9.384 0.630 1.00 0.00 C ATOM 582 NZ LYS A 822 -14.459 9.278 1.779 1.00 0.00 N ATOM 0 H LYS A 822 -9.052 6.550 1.075 1.00 0.00 H new ATOM 0 HA LYS A 822 -9.496 7.375 -1.474 1.00 0.00 H new ATOM 0 HB2 LYS A 822 -11.783 7.801 -0.778 1.00 0.00 H new ATOM 0 HB3 LYS A 822 -11.172 6.404 0.088 1.00 0.00 H new ATOM 0 HG2 LYS A 822 -12.130 7.501 1.852 1.00 0.00 H new ATOM 0 HG3 LYS A 822 -10.546 8.247 1.921 1.00 0.00 H new ATOM 0 HD2 LYS A 822 -12.033 10.076 2.019 1.00 0.00 H new ATOM 0 HD3 LYS A 822 -11.499 10.063 0.350 1.00 0.00 H new ATOM 0 HE2 LYS A 822 -13.779 10.251 0.024 1.00 0.00 H new ATOM 0 HE3 LYS A 822 -13.622 8.506 -0.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 822 -15.433 9.197 1.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 822 -14.225 8.436 2.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 822 -14.378 10.127 2.374 1.00 0.00 H new ATOM 596 N ALA A 823 -8.966 9.931 0.471 1.00 0.00 N ATOM 597 CA ALA A 823 -8.744 11.372 0.495 1.00 0.00 C ATOM 598 C ALA A 823 -7.864 11.811 -0.670 1.00 0.00 C ATOM 599 O ALA A 823 -8.144 12.814 -1.328 1.00 0.00 O ATOM 600 CB ALA A 823 -8.117 11.787 1.818 1.00 0.00 C ATOM 0 H ALA A 823 -8.698 9.449 1.329 1.00 0.00 H new ATOM 0 HA ALA A 823 -9.710 11.866 0.392 1.00 0.00 H new ATOM 0 HB1 ALA A 823 -7.957 12.865 1.822 1.00 0.00 H new ATOM 0 HB2 ALA A 823 -8.783 11.516 2.637 1.00 0.00 H new ATOM 0 HB3 ALA A 823 -7.162 11.278 1.943 1.00 0.00 H new ATOM 606 N HIS A 824 -6.800 11.055 -0.921 1.00 0.00 N ATOM 607 CA HIS A 824 -5.879 11.368 -2.008 1.00 0.00 C ATOM 608 C HIS A 824 -6.523 11.087 -3.363 1.00 0.00 C ATOM 609 O HIS A 824 -6.578 11.961 -4.227 1.00 0.00 O ATOM 610 CB HIS A 824 -4.592 10.555 -1.864 1.00 0.00 C ATOM 611 CG HIS A 824 -3.898 10.761 -0.553 1.00 0.00 C ATOM 612 ND1 HIS A 824 -3.422 11.987 -0.137 1.00 0.00 N ATOM 613 CD2 HIS A 824 -3.600 9.889 0.438 1.00 0.00 C ATOM 614 CE1 HIS A 824 -2.861 11.859 1.052 1.00 0.00 C ATOM 615 NE2 HIS A 824 -2.957 10.596 1.424 1.00 0.00 N ATOM 0 H HIS A 824 -6.554 10.222 -0.387 1.00 0.00 H new ATOM 0 HA HIS A 824 -5.638 12.429 -1.953 1.00 0.00 H new ATOM 0 HB2 HIS A 824 -4.825 9.497 -1.980 1.00 0.00 H new ATOM 0 HB3 HIS A 824 -3.911 10.822 -2.672 1.00 0.00 H new ATOM 0 HD2 HIS A 824 -3.826 8.833 0.451 1.00 0.00 H new ATOM 0 HE1 HIS A 824 -2.402 12.653 1.623 1.00 0.00 H new ATOM 0 HE2 HIS A 824 -2.610 10.208 2.301 1.00 0.00 H new ATOM 623 N GLY A 825 -7.008 9.862 -3.540 1.00 0.00 N ATOM 624 CA GLY A 825 -7.640 9.488 -4.792 1.00 0.00 C ATOM 625 C GLY A 825 -8.745 8.469 -4.602 1.00 0.00 C ATOM 626 O GLY A 825 -9.442 8.478 -3.586 1.00 0.00 O ATOM 0 H GLY A 825 -6.975 9.122 -2.839 1.00 0.00 H new ATOM 0 HA2 GLY A 825 -8.049 10.379 -5.269 1.00 0.00 H new ATOM 0 HA3 GLY A 825 -6.888 9.082 -5.468 1.00 0.00 H new ATOM 630 N THR A 826 -8.909 7.586 -5.582 1.00 0.00 N ATOM 631 CA THR A 826 -9.940 6.557 -5.520 1.00 0.00 C ATOM 632 C THR A 826 -9.372 5.242 -4.999 1.00 0.00 C ATOM 633 O THR A 826 -8.329 4.778 -5.459 1.00 0.00 O ATOM 634 CB THR A 826 -10.578 6.317 -6.901 1.00 0.00 C ATOM 635 OG1 THR A 826 -11.207 7.517 -7.366 1.00 0.00 O ATOM 636 CG2 THR A 826 -11.602 5.194 -6.836 1.00 0.00 C ATOM 0 H THR A 826 -8.341 7.563 -6.429 1.00 0.00 H new ATOM 0 HA THR A 826 -10.706 6.917 -4.833 1.00 0.00 H new ATOM 0 HB THR A 826 -9.789 6.028 -7.596 1.00 0.00 H new ATOM 0 HG1 THR A 826 -11.609 7.356 -8.245 1.00 0.00 H new ATOM 0 HG21 THR A 826 -12.039 5.043 -7.823 1.00 0.00 H new ATOM 0 HG22 THR A 826 -11.114 4.275 -6.510 1.00 0.00 H new ATOM 0 HG23 THR A 826 -12.387 5.458 -6.128 1.00 0.00 H new ATOM 644 N VAL A 827 -10.066 4.644 -4.036 1.00 0.00 N ATOM 645 CA VAL A 827 -9.632 3.380 -3.453 1.00 0.00 C ATOM 646 C VAL A 827 -10.404 2.207 -4.047 1.00 0.00 C ATOM 647 O VAL A 827 -11.567 1.980 -3.711 1.00 0.00 O ATOM 648 CB VAL A 827 -9.812 3.376 -1.923 1.00 0.00 C ATOM 649 CG1 VAL A 827 -9.403 2.031 -1.341 1.00 0.00 C ATOM 650 CG2 VAL A 827 -9.013 4.505 -1.291 1.00 0.00 C ATOM 0 H VAL A 827 -10.931 5.015 -3.643 1.00 0.00 H new ATOM 0 HA VAL A 827 -8.573 3.271 -3.687 1.00 0.00 H new ATOM 0 HB VAL A 827 -10.866 3.537 -1.697 1.00 0.00 H new ATOM 0 HG11 VAL A 827 -9.537 2.047 -0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 827 -10.023 1.245 -1.772 1.00 0.00 H new ATOM 0 HG13 VAL A 827 -8.356 1.837 -1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 827 -9.151 4.488 -0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 827 -7.956 4.377 -1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 827 -9.358 5.460 -1.686 1.00 0.00 H new ATOM 660 N LYS A 828 -9.750 1.463 -4.933 1.00 0.00 N ATOM 661 CA LYS A 828 -10.373 0.311 -5.574 1.00 0.00 C ATOM 662 C LYS A 828 -10.573 -0.825 -4.577 1.00 0.00 C ATOM 663 O LYS A 828 -11.617 -1.476 -4.564 1.00 0.00 O ATOM 664 CB LYS A 828 -9.516 -0.170 -6.747 1.00 0.00 C ATOM 665 CG LYS A 828 -9.410 0.839 -7.878 1.00 0.00 C ATOM 666 CD LYS A 828 -10.696 0.913 -8.683 1.00 0.00 C ATOM 667 CE LYS A 828 -10.858 -0.300 -9.587 1.00 0.00 C ATOM 668 NZ LYS A 828 -9.807 -0.349 -10.641 1.00 0.00 N ATOM 0 H LYS A 828 -8.788 1.638 -5.224 1.00 0.00 H new ATOM 0 HA LYS A 828 -11.350 0.618 -5.947 1.00 0.00 H new ATOM 0 HB2 LYS A 828 -8.515 -0.402 -6.383 1.00 0.00 H new ATOM 0 HB3 LYS A 828 -9.936 -1.097 -7.137 1.00 0.00 H new ATOM 0 HG2 LYS A 828 -9.179 1.822 -7.469 1.00 0.00 H new ATOM 0 HG3 LYS A 828 -8.584 0.565 -8.535 1.00 0.00 H new ATOM 0 HD2 LYS A 828 -11.547 0.980 -8.006 1.00 0.00 H new ATOM 0 HD3 LYS A 828 -10.697 1.821 -9.286 1.00 0.00 H new ATOM 0 HE2 LYS A 828 -10.814 -1.209 -8.987 1.00 0.00 H new ATOM 0 HE3 LYS A 828 -11.842 -0.275 -10.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 828 -10.256 -0.425 -11.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 828 -9.235 0.519 -10.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 828 -9.195 -1.175 -10.483 1.00 0.00 H new ATOM 682 N ASP A 829 -9.566 -1.056 -3.741 1.00 0.00 N ATOM 683 CA ASP A 829 -9.632 -2.112 -2.738 1.00 0.00 C ATOM 684 C ASP A 829 -8.583 -1.896 -1.651 1.00 0.00 C ATOM 685 O ASP A 829 -7.498 -1.377 -1.916 1.00 0.00 O ATOM 686 CB ASP A 829 -9.433 -3.480 -3.392 1.00 0.00 C ATOM 687 CG ASP A 829 -10.643 -3.922 -4.190 1.00 0.00 C ATOM 688 OD1 ASP A 829 -11.758 -3.917 -3.628 1.00 0.00 O ATOM 689 OD2 ASP A 829 -10.476 -4.274 -5.377 1.00 0.00 O ATOM 0 H ASP A 829 -8.695 -0.526 -3.738 1.00 0.00 H new ATOM 0 HA ASP A 829 -10.619 -2.079 -2.277 1.00 0.00 H new ATOM 0 HB2 ASP A 829 -8.563 -3.443 -4.048 1.00 0.00 H new ATOM 0 HB3 ASP A 829 -9.220 -4.220 -2.621 1.00 0.00 H new ATOM 694 N LEU A 830 -8.915 -2.296 -0.429 1.00 0.00 N ATOM 695 CA LEU A 830 -8.001 -2.145 0.699 1.00 0.00 C ATOM 696 C LEU A 830 -7.979 -3.408 1.554 1.00 0.00 C ATOM 697 O LEU A 830 -9.025 -3.903 1.976 1.00 0.00 O ATOM 698 CB LEU A 830 -8.409 -0.944 1.554 1.00 0.00 C ATOM 699 CG LEU A 830 -7.275 -0.224 2.284 1.00 0.00 C ATOM 700 CD1 LEU A 830 -7.722 1.158 2.734 1.00 0.00 C ATOM 701 CD2 LEU A 830 -6.799 -1.046 3.473 1.00 0.00 C ATOM 0 H LEU A 830 -9.809 -2.727 -0.193 1.00 0.00 H new ATOM 0 HA LEU A 830 -6.999 -1.978 0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 830 -8.917 -0.223 0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 830 -9.135 -1.280 2.294 1.00 0.00 H new ATOM 0 HG LEU A 830 -6.441 -0.106 1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 830 -6.902 1.655 3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 830 -8.013 1.747 1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 830 -8.573 1.063 3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 830 -5.992 -0.518 3.981 1.00 0.00 H new ATOM 0 HD22 LEU A 830 -7.627 -1.196 4.166 1.00 0.00 H new ATOM 0 HD23 LEU A 830 -6.437 -2.014 3.125 1.00 0.00 H new ATOM 713 N ARG A 831 -6.781 -3.924 1.808 1.00 0.00 N ATOM 714 CA ARG A 831 -6.623 -5.129 2.614 1.00 0.00 C ATOM 715 C ARG A 831 -5.605 -4.907 3.728 1.00 0.00 C ATOM 716 O ARG A 831 -4.624 -4.182 3.553 1.00 0.00 O ATOM 717 CB ARG A 831 -6.185 -6.302 1.735 1.00 0.00 C ATOM 718 CG ARG A 831 -4.705 -6.285 1.388 1.00 0.00 C ATOM 719 CD ARG A 831 -4.260 -7.607 0.784 1.00 0.00 C ATOM 720 NE ARG A 831 -5.079 -7.988 -0.364 1.00 0.00 N ATOM 721 CZ ARG A 831 -4.915 -7.486 -1.582 1.00 0.00 C ATOM 722 NH1 ARG A 831 -3.967 -6.588 -1.811 1.00 0.00 N ATOM 723 NH2 ARG A 831 -5.700 -7.883 -2.576 1.00 0.00 N ATOM 0 H ARG A 831 -5.906 -3.527 1.467 1.00 0.00 H new ATOM 0 HA ARG A 831 -7.587 -5.363 3.066 1.00 0.00 H new ATOM 0 HB2 ARG A 831 -6.419 -7.235 2.247 1.00 0.00 H new ATOM 0 HB3 ARG A 831 -6.766 -6.290 0.813 1.00 0.00 H new ATOM 0 HG2 ARG A 831 -4.504 -5.477 0.685 1.00 0.00 H new ATOM 0 HG3 ARG A 831 -4.122 -6.079 2.286 1.00 0.00 H new ATOM 0 HD2 ARG A 831 -3.217 -7.532 0.476 1.00 0.00 H new ATOM 0 HD3 ARG A 831 -4.313 -8.388 1.542 1.00 0.00 H new ATOM 0 HE ARG A 831 -5.817 -8.677 -0.222 1.00 0.00 H new ATOM 0 HH11 ARG A 831 -3.361 -6.281 -1.050 1.00 0.00 H new ATOM 0 HH12 ARG A 831 -3.844 -6.204 -2.748 1.00 0.00 H new ATOM 0 HH21 ARG A 831 -6.430 -8.574 -2.404 1.00 0.00 H new ATOM 0 HH22 ARG A 831 -5.573 -7.497 -3.511 1.00 0.00 H new ATOM 737 N LEU A 832 -5.844 -5.535 4.874 1.00 0.00 N ATOM 738 CA LEU A 832 -4.948 -5.407 6.019 1.00 0.00 C ATOM 739 C LEU A 832 -4.380 -6.764 6.420 1.00 0.00 C ATOM 740 O LEU A 832 -5.125 -7.701 6.707 1.00 0.00 O ATOM 741 CB LEU A 832 -5.688 -4.781 7.202 1.00 0.00 C ATOM 742 CG LEU A 832 -6.395 -3.453 6.926 1.00 0.00 C ATOM 743 CD1 LEU A 832 -7.260 -3.052 8.111 1.00 0.00 C ATOM 744 CD2 LEU A 832 -5.381 -2.364 6.611 1.00 0.00 C ATOM 0 H LEU A 832 -6.651 -6.138 5.035 1.00 0.00 H new ATOM 0 HA LEU A 832 -4.120 -4.758 5.731 1.00 0.00 H new ATOM 0 HB2 LEU A 832 -6.428 -5.496 7.561 1.00 0.00 H new ATOM 0 HB3 LEU A 832 -4.974 -4.628 8.011 1.00 0.00 H new ATOM 0 HG LEU A 832 -7.041 -3.582 6.058 1.00 0.00 H new ATOM 0 HD11 LEU A 832 -7.755 -2.105 7.896 1.00 0.00 H new ATOM 0 HD12 LEU A 832 -8.011 -3.821 8.290 1.00 0.00 H new ATOM 0 HD13 LEU A 832 -6.635 -2.942 8.997 1.00 0.00 H new ATOM 0 HD21 LEU A 832 -5.902 -1.426 6.417 1.00 0.00 H new ATOM 0 HD22 LEU A 832 -4.708 -2.237 7.459 1.00 0.00 H new ATOM 0 HD23 LEU A 832 -4.805 -2.647 5.730 1.00 0.00 H new ATOM 756 N VAL A 833 -3.054 -6.862 6.440 1.00 0.00 N ATOM 757 CA VAL A 833 -2.385 -8.103 6.810 1.00 0.00 C ATOM 758 C VAL A 833 -2.609 -8.432 8.282 1.00 0.00 C ATOM 759 O VAL A 833 -2.104 -7.741 9.167 1.00 0.00 O ATOM 760 CB VAL A 833 -0.871 -8.028 6.537 1.00 0.00 C ATOM 761 CG1 VAL A 833 -0.187 -9.320 6.956 1.00 0.00 C ATOM 762 CG2 VAL A 833 -0.609 -7.729 5.068 1.00 0.00 C ATOM 0 H VAL A 833 -2.422 -6.097 6.204 1.00 0.00 H new ATOM 0 HA VAL A 833 -2.819 -8.891 6.195 1.00 0.00 H new ATOM 0 HB VAL A 833 -0.453 -7.215 7.131 1.00 0.00 H new ATOM 0 HG11 VAL A 833 0.882 -9.247 6.755 1.00 0.00 H new ATOM 0 HG12 VAL A 833 -0.346 -9.487 8.021 1.00 0.00 H new ATOM 0 HG13 VAL A 833 -0.606 -10.153 6.392 1.00 0.00 H new ATOM 0 HG21 VAL A 833 0.466 -7.679 4.893 1.00 0.00 H new ATOM 0 HG22 VAL A 833 -1.041 -8.519 4.453 1.00 0.00 H new ATOM 0 HG23 VAL A 833 -1.064 -6.774 4.804 1.00 0.00 H new ATOM 772 N THR A 834 -3.370 -9.491 8.537 1.00 0.00 N ATOM 773 CA THR A 834 -3.663 -9.911 9.901 1.00 0.00 C ATOM 774 C THR A 834 -2.877 -11.164 10.271 1.00 0.00 C ATOM 775 O THR A 834 -2.070 -11.657 9.484 1.00 0.00 O ATOM 776 CB THR A 834 -5.166 -10.186 10.095 1.00 0.00 C ATOM 777 OG1 THR A 834 -5.635 -11.080 9.079 1.00 0.00 O ATOM 778 CG2 THR A 834 -5.963 -8.892 10.046 1.00 0.00 C ATOM 0 H THR A 834 -3.795 -10.074 7.816 1.00 0.00 H new ATOM 0 HA THR A 834 -3.365 -9.091 10.554 1.00 0.00 H new ATOM 0 HB THR A 834 -5.306 -10.644 11.074 1.00 0.00 H new ATOM 0 HG1 THR A 834 -6.591 -11.251 9.210 1.00 0.00 H new ATOM 0 HG21 THR A 834 -7.022 -9.111 10.185 1.00 0.00 H new ATOM 0 HG22 THR A 834 -5.623 -8.225 10.838 1.00 0.00 H new ATOM 0 HG23 THR A 834 -5.816 -8.411 9.079 1.00 0.00 H new ATOM 786 N ASN A 835 -3.119 -11.675 11.474 1.00 0.00 N ATOM 787 CA ASN A 835 -2.433 -12.872 11.948 1.00 0.00 C ATOM 788 C ASN A 835 -3.391 -14.057 12.016 1.00 0.00 C ATOM 789 O ASN A 835 -4.549 -13.956 11.609 1.00 0.00 O ATOM 790 CB ASN A 835 -1.817 -12.620 13.326 1.00 0.00 C ATOM 791 CG ASN A 835 -0.570 -13.450 13.562 1.00 0.00 C ATOM 792 OD1 ASN A 835 0.016 -13.991 12.625 1.00 0.00 O ATOM 793 ND2 ASN A 835 -0.159 -13.554 14.821 1.00 0.00 N ATOM 0 H ASN A 835 -3.784 -11.279 12.138 1.00 0.00 H new ATOM 0 HA ASN A 835 -1.639 -13.110 11.240 1.00 0.00 H new ATOM 0 HB2 ASN A 835 -1.570 -11.563 13.423 1.00 0.00 H new ATOM 0 HB3 ASN A 835 -2.553 -12.847 14.097 1.00 0.00 H new ATOM 0 HD21 ASN A 835 0.674 -14.100 15.042 1.00 0.00 H new ATOM 0 HD22 ASN A 835 -0.676 -13.088 15.566 1.00 0.00 H new ATOM 800 N ARG A 836 -2.900 -15.179 12.533 1.00 0.00 N ATOM 801 CA ARG A 836 -3.712 -16.384 12.653 1.00 0.00 C ATOM 802 C ARG A 836 -4.951 -16.121 13.505 1.00 0.00 C ATOM 803 O ARG A 836 -6.020 -16.675 13.250 1.00 0.00 O ATOM 804 CB ARG A 836 -2.890 -17.519 13.266 1.00 0.00 C ATOM 805 CG ARG A 836 -1.829 -18.075 12.331 1.00 0.00 C ATOM 806 CD ARG A 836 -1.474 -19.511 12.682 1.00 0.00 C ATOM 807 NE ARG A 836 -2.370 -20.470 12.041 1.00 0.00 N ATOM 808 CZ ARG A 836 -2.455 -21.747 12.395 1.00 0.00 C ATOM 809 NH1 ARG A 836 -1.703 -22.217 13.381 1.00 0.00 N ATOM 810 NH2 ARG A 836 -3.295 -22.557 11.764 1.00 0.00 N ATOM 0 H ARG A 836 -1.944 -15.278 12.875 1.00 0.00 H new ATOM 0 HA ARG A 836 -4.034 -16.677 11.654 1.00 0.00 H new ATOM 0 HB2 ARG A 836 -2.408 -17.158 14.175 1.00 0.00 H new ATOM 0 HB3 ARG A 836 -3.562 -18.325 13.560 1.00 0.00 H new ATOM 0 HG2 ARG A 836 -2.188 -18.029 11.303 1.00 0.00 H new ATOM 0 HG3 ARG A 836 -0.934 -17.455 12.384 1.00 0.00 H new ATOM 0 HD2 ARG A 836 -0.447 -19.715 12.378 1.00 0.00 H new ATOM 0 HD3 ARG A 836 -1.518 -19.641 13.763 1.00 0.00 H new ATOM 0 HE ARG A 836 -2.963 -20.141 11.279 1.00 0.00 H new ATOM 0 HH11 ARG A 836 -1.057 -21.597 13.870 1.00 0.00 H new ATOM 0 HH12 ARG A 836 -1.771 -23.198 13.651 1.00 0.00 H new ATOM 0 HH21 ARG A 836 -3.876 -22.199 11.006 1.00 0.00 H new ATOM 0 HH22 ARG A 836 -3.360 -23.538 12.037 1.00 0.00 H new ATOM 824 N ALA A 837 -4.798 -15.274 14.517 1.00 0.00 N ATOM 825 CA ALA A 837 -5.904 -14.937 15.405 1.00 0.00 C ATOM 826 C ALA A 837 -6.675 -13.728 14.888 1.00 0.00 C ATOM 827 O ALA A 837 -7.509 -13.163 15.593 1.00 0.00 O ATOM 828 CB ALA A 837 -5.389 -14.674 16.813 1.00 0.00 C ATOM 0 H ALA A 837 -3.919 -14.808 14.743 1.00 0.00 H new ATOM 0 HA ALA A 837 -6.587 -15.786 15.432 1.00 0.00 H new ATOM 0 HB1 ALA A 837 -6.225 -14.424 17.465 1.00 0.00 H new ATOM 0 HB2 ALA A 837 -4.889 -15.566 17.190 1.00 0.00 H new ATOM 0 HB3 ALA A 837 -4.683 -13.844 16.793 1.00 0.00 H new ATOM 834 N GLY A 838 -6.389 -13.335 13.650 1.00 0.00 N ATOM 835 CA GLY A 838 -7.064 -12.194 13.060 1.00 0.00 C ATOM 836 C GLY A 838 -6.592 -10.876 13.641 1.00 0.00 C ATOM 837 O GLY A 838 -7.363 -9.921 13.742 1.00 0.00 O ATOM 0 H GLY A 838 -5.702 -13.786 13.046 1.00 0.00 H new ATOM 0 HA2 GLY A 838 -6.896 -12.194 11.983 1.00 0.00 H new ATOM 0 HA3 GLY A 838 -8.139 -12.292 13.215 1.00 0.00 H new ATOM 841 N LYS A 839 -5.322 -10.822 14.026 1.00 0.00 N ATOM 842 CA LYS A 839 -4.746 -9.612 14.602 1.00 0.00 C ATOM 843 C LYS A 839 -3.913 -8.862 13.568 1.00 0.00 C ATOM 844 O LYS A 839 -3.215 -9.457 12.747 1.00 0.00 O ATOM 845 CB LYS A 839 -3.881 -9.961 15.815 1.00 0.00 C ATOM 846 CG LYS A 839 -4.664 -10.569 16.966 1.00 0.00 C ATOM 847 CD LYS A 839 -5.256 -9.496 17.865 1.00 0.00 C ATOM 848 CE LYS A 839 -6.517 -9.985 18.560 1.00 0.00 C ATOM 849 NZ LYS A 839 -7.042 -8.982 19.527 1.00 0.00 N ATOM 0 H LYS A 839 -4.671 -11.603 13.950 1.00 0.00 H new ATOM 0 HA LYS A 839 -5.564 -8.966 14.922 1.00 0.00 H new ATOM 0 HB2 LYS A 839 -3.103 -10.659 15.507 1.00 0.00 H new ATOM 0 HB3 LYS A 839 -3.379 -9.059 16.165 1.00 0.00 H new ATOM 0 HG2 LYS A 839 -5.463 -11.197 16.572 1.00 0.00 H new ATOM 0 HG3 LYS A 839 -4.010 -11.215 17.551 1.00 0.00 H new ATOM 0 HD2 LYS A 839 -4.520 -9.199 18.612 1.00 0.00 H new ATOM 0 HD3 LYS A 839 -5.486 -8.610 17.273 1.00 0.00 H new ATOM 0 HE2 LYS A 839 -7.281 -10.205 17.814 1.00 0.00 H new ATOM 0 HE3 LYS A 839 -6.305 -10.917 19.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 839 -7.902 -9.353 19.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 839 -6.323 -8.791 20.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 839 -7.269 -8.100 19.024 1.00 0.00 H new ATOM 863 N PRO A 840 -3.984 -7.523 13.608 1.00 0.00 N ATOM 864 CA PRO A 840 -3.240 -6.663 12.683 1.00 0.00 C ATOM 865 C PRO A 840 -1.739 -6.689 12.948 1.00 0.00 C ATOM 866 O PRO A 840 -1.276 -6.255 14.003 1.00 0.00 O ATOM 867 CB PRO A 840 -3.808 -5.269 12.961 1.00 0.00 C ATOM 868 CG PRO A 840 -4.311 -5.337 14.362 1.00 0.00 C ATOM 869 CD PRO A 840 -4.796 -6.746 14.560 1.00 0.00 C ATOM 0 HA PRO A 840 -3.351 -6.985 11.648 1.00 0.00 H new ATOM 0 HB2 PRO A 840 -3.042 -4.501 12.852 1.00 0.00 H new ATOM 0 HB3 PRO A 840 -4.609 -5.022 12.264 1.00 0.00 H new ATOM 0 HG2 PRO A 840 -3.521 -5.093 15.072 1.00 0.00 H new ATOM 0 HG3 PRO A 840 -5.117 -4.621 14.522 1.00 0.00 H new ATOM 0 HD2 PRO A 840 -4.645 -7.083 15.586 1.00 0.00 H new ATOM 0 HD3 PRO A 840 -5.861 -6.838 14.348 1.00 0.00 H new ATOM 877 N LYS A 841 -0.981 -7.199 11.983 1.00 0.00 N ATOM 878 CA LYS A 841 0.469 -7.280 12.109 1.00 0.00 C ATOM 879 C LYS A 841 1.112 -5.916 11.879 1.00 0.00 C ATOM 880 O LYS A 841 2.272 -5.700 12.226 1.00 0.00 O ATOM 881 CB LYS A 841 1.033 -8.297 11.114 1.00 0.00 C ATOM 882 CG LYS A 841 0.592 -9.724 11.388 1.00 0.00 C ATOM 883 CD LYS A 841 1.007 -10.661 10.265 1.00 0.00 C ATOM 884 CE LYS A 841 2.489 -10.996 10.338 1.00 0.00 C ATOM 885 NZ LYS A 841 2.766 -12.070 11.332 1.00 0.00 N ATOM 0 H LYS A 841 -1.348 -7.563 11.104 1.00 0.00 H new ATOM 0 HA LYS A 841 0.703 -7.606 13.123 1.00 0.00 H new ATOM 0 HB2 LYS A 841 0.724 -8.017 10.107 1.00 0.00 H new ATOM 0 HB3 LYS A 841 2.122 -8.251 11.138 1.00 0.00 H new ATOM 0 HG2 LYS A 841 1.026 -10.066 12.328 1.00 0.00 H new ATOM 0 HG3 LYS A 841 -0.491 -9.755 11.507 1.00 0.00 H new ATOM 0 HD2 LYS A 841 0.422 -11.579 10.321 1.00 0.00 H new ATOM 0 HD3 LYS A 841 0.784 -10.199 9.303 1.00 0.00 H new ATOM 0 HE2 LYS A 841 2.839 -11.312 9.355 1.00 0.00 H new ATOM 0 HE3 LYS A 841 3.051 -10.101 10.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 3.786 -12.270 11.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 2.455 -11.759 12.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 2.250 -12.932 11.064 1.00 0.00 H new ATOM 899 N GLY A 842 0.350 -4.999 11.291 1.00 0.00 N ATOM 900 CA GLY A 842 0.863 -3.667 11.026 1.00 0.00 C ATOM 901 C GLY A 842 0.876 -3.336 9.547 1.00 0.00 C ATOM 902 O GLY A 842 0.517 -2.227 9.148 1.00 0.00 O ATOM 0 H GLY A 842 -0.613 -5.154 10.993 1.00 0.00 H new ATOM 0 HA2 GLY A 842 0.253 -2.934 11.554 1.00 0.00 H new ATOM 0 HA3 GLY A 842 1.875 -3.585 11.423 1.00 0.00 H new ATOM 906 N LEU A 843 1.293 -4.297 8.730 1.00 0.00 N ATOM 907 CA LEU A 843 1.354 -4.101 7.286 1.00 0.00 C ATOM 908 C LEU A 843 -0.044 -3.921 6.701 1.00 0.00 C ATOM 909 O LEU A 843 -0.976 -4.639 7.063 1.00 0.00 O ATOM 910 CB LEU A 843 2.049 -5.289 6.619 1.00 0.00 C ATOM 911 CG LEU A 843 3.430 -5.651 7.164 1.00 0.00 C ATOM 912 CD1 LEU A 843 3.969 -6.894 6.472 1.00 0.00 C ATOM 913 CD2 LEU A 843 4.393 -4.485 6.995 1.00 0.00 C ATOM 0 H LEU A 843 1.594 -5.220 9.043 1.00 0.00 H new ATOM 0 HA LEU A 843 1.929 -3.196 7.091 1.00 0.00 H new ATOM 0 HB2 LEU A 843 1.403 -6.162 6.713 1.00 0.00 H new ATOM 0 HB3 LEU A 843 2.145 -5.077 5.554 1.00 0.00 H new ATOM 0 HG LEU A 843 3.334 -5.866 8.228 1.00 0.00 H new ATOM 0 HD11 LEU A 843 4.953 -7.136 6.873 1.00 0.00 H new ATOM 0 HD12 LEU A 843 3.291 -7.730 6.645 1.00 0.00 H new ATOM 0 HD13 LEU A 843 4.050 -6.708 5.401 1.00 0.00 H new ATOM 0 HD21 LEU A 843 5.371 -4.761 7.389 1.00 0.00 H new ATOM 0 HD22 LEU A 843 4.484 -4.239 5.937 1.00 0.00 H new ATOM 0 HD23 LEU A 843 4.015 -3.619 7.538 1.00 0.00 H new ATOM 925 N ALA A 844 -0.181 -2.959 5.795 1.00 0.00 N ATOM 926 CA ALA A 844 -1.464 -2.688 5.157 1.00 0.00 C ATOM 927 C ALA A 844 -1.295 -2.469 3.657 1.00 0.00 C ATOM 928 O ALA A 844 -0.470 -1.663 3.226 1.00 0.00 O ATOM 929 CB ALA A 844 -2.126 -1.477 5.798 1.00 0.00 C ATOM 0 H ALA A 844 0.580 -2.354 5.486 1.00 0.00 H new ATOM 0 HA ALA A 844 -2.105 -3.558 5.301 1.00 0.00 H new ATOM 0 HB1 ALA A 844 -3.083 -1.286 5.312 1.00 0.00 H new ATOM 0 HB2 ALA A 844 -2.289 -1.670 6.858 1.00 0.00 H new ATOM 0 HB3 ALA A 844 -1.480 -0.606 5.683 1.00 0.00 H new ATOM 935 N TYR A 845 -2.082 -3.192 2.867 1.00 0.00 N ATOM 936 CA TYR A 845 -2.017 -3.079 1.415 1.00 0.00 C ATOM 937 C TYR A 845 -3.178 -2.245 0.882 1.00 0.00 C ATOM 938 O TYR A 845 -4.317 -2.389 1.325 1.00 0.00 O ATOM 939 CB TYR A 845 -2.035 -4.467 0.773 1.00 0.00 C ATOM 940 CG TYR A 845 -0.659 -5.061 0.575 1.00 0.00 C ATOM 941 CD1 TYR A 845 -0.036 -5.775 1.591 1.00 0.00 C ATOM 942 CD2 TYR A 845 0.018 -4.908 -0.628 1.00 0.00 C ATOM 943 CE1 TYR A 845 1.222 -6.318 1.415 1.00 0.00 C ATOM 944 CE2 TYR A 845 1.276 -5.449 -0.814 1.00 0.00 C ATOM 945 CZ TYR A 845 1.873 -6.153 0.210 1.00 0.00 C ATOM 946 OH TYR A 845 3.126 -6.694 0.030 1.00 0.00 O ATOM 0 H TYR A 845 -2.772 -3.862 3.208 1.00 0.00 H new ATOM 0 HA TYR A 845 -1.084 -2.579 1.156 1.00 0.00 H new ATOM 0 HB2 TYR A 845 -2.625 -5.139 1.396 1.00 0.00 H new ATOM 0 HB3 TYR A 845 -2.537 -4.405 -0.193 1.00 0.00 H new ATOM 0 HD1 TYR A 845 -0.544 -5.908 2.535 1.00 0.00 H new ATOM 0 HD2 TYR A 845 -0.447 -4.357 -1.432 1.00 0.00 H new ATOM 0 HE1 TYR A 845 1.693 -6.868 2.216 1.00 0.00 H new ATOM 0 HE2 TYR A 845 1.788 -5.321 -1.756 1.00 0.00 H new ATOM 0 HH TYR A 845 3.444 -6.488 -0.874 1.00 0.00 H new ATOM 956 N VAL A 846 -2.880 -1.371 -0.075 1.00 0.00 N ATOM 957 CA VAL A 846 -3.897 -0.514 -0.672 1.00 0.00 C ATOM 958 C VAL A 846 -3.895 -0.635 -2.191 1.00 0.00 C ATOM 959 O VAL A 846 -2.846 -0.821 -2.807 1.00 0.00 O ATOM 960 CB VAL A 846 -3.684 0.962 -0.285 1.00 0.00 C ATOM 961 CG1 VAL A 846 -4.839 1.817 -0.786 1.00 0.00 C ATOM 962 CG2 VAL A 846 -3.522 1.100 1.221 1.00 0.00 C ATOM 0 H VAL A 846 -1.942 -1.238 -0.453 1.00 0.00 H new ATOM 0 HA VAL A 846 -4.860 -0.848 -0.285 1.00 0.00 H new ATOM 0 HB VAL A 846 -2.769 1.316 -0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 846 -4.672 2.856 -0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 846 -4.903 1.742 -1.872 1.00 0.00 H new ATOM 0 HG13 VAL A 846 -5.771 1.466 -0.342 1.00 0.00 H new ATOM 0 HG21 VAL A 846 -3.372 2.149 1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 846 -4.418 0.730 1.719 1.00 0.00 H new ATOM 0 HG23 VAL A 846 -2.659 0.520 1.549 1.00 0.00 H new ATOM 972 N GLU A 847 -5.077 -0.527 -2.789 1.00 0.00 N ATOM 973 CA GLU A 847 -5.211 -0.625 -4.238 1.00 0.00 C ATOM 974 C GLU A 847 -6.057 0.521 -4.785 1.00 0.00 C ATOM 975 O GLU A 847 -7.263 0.587 -4.545 1.00 0.00 O ATOM 976 CB GLU A 847 -5.839 -1.966 -4.625 1.00 0.00 C ATOM 977 CG GLU A 847 -5.679 -2.311 -6.096 1.00 0.00 C ATOM 978 CD GLU A 847 -6.322 -3.636 -6.457 1.00 0.00 C ATOM 979 OE1 GLU A 847 -5.800 -4.686 -6.026 1.00 0.00 O ATOM 980 OE2 GLU A 847 -7.346 -3.624 -7.171 1.00 0.00 O ATOM 0 H GLU A 847 -5.955 -0.372 -2.293 1.00 0.00 H new ATOM 0 HA GLU A 847 -4.214 -0.559 -4.674 1.00 0.00 H new ATOM 0 HB2 GLU A 847 -5.388 -2.756 -4.024 1.00 0.00 H new ATOM 0 HB3 GLU A 847 -6.901 -1.945 -4.379 1.00 0.00 H new ATOM 0 HG2 GLU A 847 -6.121 -1.520 -6.701 1.00 0.00 H new ATOM 0 HG3 GLU A 847 -4.618 -2.347 -6.344 1.00 0.00 H new ATOM 987 N TYR A 848 -5.416 1.422 -5.521 1.00 0.00 N ATOM 988 CA TYR A 848 -6.107 2.568 -6.100 1.00 0.00 C ATOM 989 C TYR A 848 -6.595 2.254 -7.511 1.00 0.00 C ATOM 990 O TYR A 848 -6.446 1.132 -7.995 1.00 0.00 O ATOM 991 CB TYR A 848 -5.183 3.787 -6.128 1.00 0.00 C ATOM 992 CG TYR A 848 -5.221 4.604 -4.857 1.00 0.00 C ATOM 993 CD1 TYR A 848 -4.492 4.219 -3.738 1.00 0.00 C ATOM 994 CD2 TYR A 848 -5.986 5.761 -4.774 1.00 0.00 C ATOM 995 CE1 TYR A 848 -4.524 4.963 -2.574 1.00 0.00 C ATOM 996 CE2 TYR A 848 -6.023 6.511 -3.614 1.00 0.00 C ATOM 997 CZ TYR A 848 -5.291 6.108 -2.517 1.00 0.00 C ATOM 998 OH TYR A 848 -5.326 6.852 -1.360 1.00 0.00 O ATOM 0 H TYR A 848 -4.419 1.381 -5.731 1.00 0.00 H new ATOM 0 HA TYR A 848 -6.973 2.791 -5.476 1.00 0.00 H new ATOM 0 HB2 TYR A 848 -4.161 3.453 -6.305 1.00 0.00 H new ATOM 0 HB3 TYR A 848 -5.461 4.424 -6.968 1.00 0.00 H new ATOM 0 HD1 TYR A 848 -3.890 3.323 -3.779 1.00 0.00 H new ATOM 0 HD2 TYR A 848 -6.561 6.080 -5.631 1.00 0.00 H new ATOM 0 HE1 TYR A 848 -3.952 4.650 -1.713 1.00 0.00 H new ATOM 0 HE2 TYR A 848 -6.622 7.408 -3.567 1.00 0.00 H new ATOM 0 HH TYR A 848 -5.925 7.618 -1.482 1.00 0.00 H new ATOM 1008 N GLU A 849 -7.179 3.253 -8.164 1.00 0.00 N ATOM 1009 CA GLU A 849 -7.690 3.084 -9.520 1.00 0.00 C ATOM 1010 C GLU A 849 -6.658 3.534 -10.550 1.00 0.00 C ATOM 1011 O GLU A 849 -6.446 2.868 -11.563 1.00 0.00 O ATOM 1012 CB GLU A 849 -8.987 3.875 -9.702 1.00 0.00 C ATOM 1013 CG GLU A 849 -9.713 3.563 -11.000 1.00 0.00 C ATOM 1014 CD GLU A 849 -11.214 3.745 -10.888 1.00 0.00 C ATOM 1015 OE1 GLU A 849 -11.647 4.726 -10.247 1.00 0.00 O ATOM 1016 OE2 GLU A 849 -11.956 2.907 -11.441 1.00 0.00 O ATOM 0 H GLU A 849 -7.310 4.188 -7.777 1.00 0.00 H new ATOM 0 HA GLU A 849 -7.894 2.025 -9.675 1.00 0.00 H new ATOM 0 HB2 GLU A 849 -9.652 3.665 -8.864 1.00 0.00 H new ATOM 0 HB3 GLU A 849 -8.760 4.941 -9.669 1.00 0.00 H new ATOM 0 HG2 GLU A 849 -9.331 4.209 -11.790 1.00 0.00 H new ATOM 0 HG3 GLU A 849 -9.496 2.536 -11.295 1.00 0.00 H new ATOM 1023 N ASN A 850 -6.020 4.669 -10.283 1.00 0.00 N ATOM 1024 CA ASN A 850 -5.012 5.209 -11.187 1.00 0.00 C ATOM 1025 C ASN A 850 -3.650 5.280 -10.503 1.00 0.00 C ATOM 1026 O ASN A 850 -3.564 5.451 -9.288 1.00 0.00 O ATOM 1027 CB ASN A 850 -5.424 6.600 -11.673 1.00 0.00 C ATOM 1028 CG ASN A 850 -6.929 6.749 -11.790 1.00 0.00 C ATOM 1029 OD1 ASN A 850 -7.650 6.685 -10.794 1.00 0.00 O ATOM 1030 ND2 ASN A 850 -7.410 6.949 -13.011 1.00 0.00 N ATOM 0 H ASN A 850 -6.183 5.232 -9.448 1.00 0.00 H new ATOM 0 HA ASN A 850 -4.934 4.541 -12.044 1.00 0.00 H new ATOM 0 HB2 ASN A 850 -5.040 7.352 -10.983 1.00 0.00 H new ATOM 0 HB3 ASN A 850 -4.966 6.794 -12.643 1.00 0.00 H new ATOM 0 HD21 ASN A 850 -8.414 7.057 -13.152 1.00 0.00 H new ATOM 0 HD22 ASN A 850 -6.775 6.995 -13.808 1.00 0.00 H new ATOM 1037 N GLU A 851 -2.589 5.147 -11.293 1.00 0.00 N ATOM 1038 CA GLU A 851 -1.231 5.196 -10.763 1.00 0.00 C ATOM 1039 C GLU A 851 -0.951 6.546 -10.109 1.00 0.00 C ATOM 1040 O GLU A 851 -0.521 6.613 -8.958 1.00 0.00 O ATOM 1041 CB GLU A 851 -0.215 4.935 -11.876 1.00 0.00 C ATOM 1042 CG GLU A 851 1.230 5.062 -11.424 1.00 0.00 C ATOM 1043 CD GLU A 851 2.216 4.842 -12.554 1.00 0.00 C ATOM 1044 OE1 GLU A 851 1.832 4.216 -13.564 1.00 0.00 O ATOM 1045 OE2 GLU A 851 3.373 5.295 -12.428 1.00 0.00 O ATOM 0 H GLU A 851 -2.643 5.005 -12.302 1.00 0.00 H new ATOM 0 HA GLU A 851 -1.136 4.418 -10.006 1.00 0.00 H new ATOM 0 HB2 GLU A 851 -0.375 3.933 -12.275 1.00 0.00 H new ATOM 0 HB3 GLU A 851 -0.394 5.635 -12.692 1.00 0.00 H new ATOM 0 HG2 GLU A 851 1.387 6.052 -10.997 1.00 0.00 H new ATOM 0 HG3 GLU A 851 1.424 4.339 -10.632 1.00 0.00 H new ATOM 1052 N SER A 852 -1.197 7.620 -10.854 1.00 0.00 N ATOM 1053 CA SER A 852 -0.967 8.968 -10.349 1.00 0.00 C ATOM 1054 C SER A 852 -1.503 9.116 -8.929 1.00 0.00 C ATOM 1055 O SER A 852 -0.764 9.463 -8.008 1.00 0.00 O ATOM 1056 CB SER A 852 -1.629 9.998 -11.267 1.00 0.00 C ATOM 1057 OG SER A 852 -3.025 9.776 -11.358 1.00 0.00 O ATOM 0 H SER A 852 -1.555 7.582 -11.808 1.00 0.00 H new ATOM 0 HA SER A 852 0.108 9.145 -10.332 1.00 0.00 H new ATOM 0 HB2 SER A 852 -1.441 11.002 -10.887 1.00 0.00 H new ATOM 0 HB3 SER A 852 -1.183 9.944 -12.260 1.00 0.00 H new ATOM 0 HG SER A 852 -3.425 10.448 -11.949 1.00 0.00 H new ATOM 1063 N GLN A 853 -2.794 8.850 -8.760 1.00 0.00 N ATOM 1064 CA GLN A 853 -3.431 8.954 -7.453 1.00 0.00 C ATOM 1065 C GLN A 853 -2.605 8.241 -6.387 1.00 0.00 C ATOM 1066 O GLN A 853 -2.342 8.793 -5.319 1.00 0.00 O ATOM 1067 CB GLN A 853 -4.842 8.365 -7.500 1.00 0.00 C ATOM 1068 CG GLN A 853 -5.828 9.212 -8.288 1.00 0.00 C ATOM 1069 CD GLN A 853 -7.261 8.742 -8.126 1.00 0.00 C ATOM 1070 OE1 GLN A 853 -7.513 7.484 -8.465 1.00 0.00 O flip ATOM 1071 NE2 GLN A 853 -8.131 9.503 -7.700 1.00 0.00 N flip ATOM 0 H GLN A 853 -3.419 8.561 -9.512 1.00 0.00 H new ATOM 0 HA GLN A 853 -3.495 10.010 -7.192 1.00 0.00 H new ATOM 0 HB2 GLN A 853 -4.797 7.369 -7.942 1.00 0.00 H new ATOM 0 HB3 GLN A 853 -5.211 8.245 -6.481 1.00 0.00 H new ATOM 0 HG2 GLN A 853 -5.751 10.250 -7.963 1.00 0.00 H new ATOM 0 HG3 GLN A 853 -5.559 9.188 -9.344 1.00 0.00 H new ATOM 0 HE21 GLN A 853 -7.892 10.463 -7.451 1.00 0.00 H new ATOM 0 HE22 GLN A 853 -9.091 9.173 -7.596 1.00 0.00 H new ATOM 1080 N ALA A 854 -2.200 7.011 -6.685 1.00 0.00 N ATOM 1081 CA ALA A 854 -1.402 6.223 -5.753 1.00 0.00 C ATOM 1082 C ALA A 854 -0.070 6.904 -5.458 1.00 0.00 C ATOM 1083 O ALA A 854 0.296 7.097 -4.299 1.00 0.00 O ATOM 1084 CB ALA A 854 -1.171 4.825 -6.307 1.00 0.00 C ATOM 0 H ALA A 854 -2.411 6.539 -7.564 1.00 0.00 H new ATOM 0 HA ALA A 854 -1.955 6.144 -4.817 1.00 0.00 H new ATOM 0 HB1 ALA A 854 -0.574 4.248 -5.601 1.00 0.00 H new ATOM 0 HB2 ALA A 854 -2.131 4.331 -6.460 1.00 0.00 H new ATOM 0 HB3 ALA A 854 -0.643 4.893 -7.258 1.00 0.00 H new ATOM 1090 N SER A 855 0.652 7.264 -6.515 1.00 0.00 N ATOM 1091 CA SER A 855 1.946 7.920 -6.369 1.00 0.00 C ATOM 1092 C SER A 855 1.875 9.038 -5.333 1.00 0.00 C ATOM 1093 O SER A 855 2.655 9.067 -4.382 1.00 0.00 O ATOM 1094 CB SER A 855 2.411 8.483 -7.713 1.00 0.00 C ATOM 1095 OG SER A 855 3.674 9.114 -7.592 1.00 0.00 O ATOM 0 H SER A 855 0.363 7.112 -7.481 1.00 0.00 H new ATOM 0 HA SER A 855 2.666 7.176 -6.026 1.00 0.00 H new ATOM 0 HB2 SER A 855 2.471 7.679 -8.446 1.00 0.00 H new ATOM 0 HB3 SER A 855 1.678 9.199 -8.084 1.00 0.00 H new ATOM 0 HG SER A 855 3.950 9.464 -8.465 1.00 0.00 H new ATOM 1101 N GLN A 856 0.933 9.956 -5.527 1.00 0.00 N ATOM 1102 CA GLN A 856 0.760 11.077 -4.611 1.00 0.00 C ATOM 1103 C GLN A 856 0.553 10.585 -3.182 1.00 0.00 C ATOM 1104 O GLN A 856 1.250 11.010 -2.261 1.00 0.00 O ATOM 1105 CB GLN A 856 -0.427 11.938 -5.044 1.00 0.00 C ATOM 1106 CG GLN A 856 -0.281 13.406 -4.674 1.00 0.00 C ATOM 1107 CD GLN A 856 0.623 14.161 -5.627 1.00 0.00 C ATOM 1108 OE1 GLN A 856 0.487 14.054 -6.846 1.00 0.00 O ATOM 1109 NE2 GLN A 856 1.554 14.931 -5.076 1.00 0.00 N ATOM 0 H GLN A 856 0.279 9.945 -6.309 1.00 0.00 H new ATOM 0 HA GLN A 856 1.667 11.681 -4.640 1.00 0.00 H new ATOM 0 HB2 GLN A 856 -0.551 11.855 -6.124 1.00 0.00 H new ATOM 0 HB3 GLN A 856 -1.336 11.545 -4.588 1.00 0.00 H new ATOM 0 HG2 GLN A 856 -1.265 13.874 -4.665 1.00 0.00 H new ATOM 0 HG3 GLN A 856 0.118 13.484 -3.663 1.00 0.00 H new ATOM 0 HE21 GLN A 856 1.631 14.990 -4.061 1.00 0.00 H new ATOM 0 HE22 GLN A 856 2.192 15.463 -5.668 1.00 0.00 H new ATOM 1118 N ALA A 857 -0.412 9.688 -3.004 1.00 0.00 N ATOM 1119 CA ALA A 857 -0.710 9.137 -1.688 1.00 0.00 C ATOM 1120 C ALA A 857 0.550 8.597 -1.021 1.00 0.00 C ATOM 1121 O ALA A 857 0.671 8.612 0.204 1.00 0.00 O ATOM 1122 CB ALA A 857 -1.761 8.043 -1.800 1.00 0.00 C ATOM 0 H ALA A 857 -1.001 9.328 -3.755 1.00 0.00 H new ATOM 0 HA ALA A 857 -1.103 9.941 -1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 857 -1.974 7.640 -0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 857 -2.674 8.458 -2.227 1.00 0.00 H new ATOM 0 HB3 ALA A 857 -1.389 7.246 -2.444 1.00 0.00 H new ATOM 1128 N VAL A 858 1.486 8.118 -1.834 1.00 0.00 N ATOM 1129 CA VAL A 858 2.738 7.572 -1.322 1.00 0.00 C ATOM 1130 C VAL A 858 3.655 8.681 -0.819 1.00 0.00 C ATOM 1131 O VAL A 858 4.185 8.607 0.289 1.00 0.00 O ATOM 1132 CB VAL A 858 3.478 6.758 -2.400 1.00 0.00 C ATOM 1133 CG1 VAL A 858 4.791 6.220 -1.855 1.00 0.00 C ATOM 1134 CG2 VAL A 858 2.598 5.626 -2.910 1.00 0.00 C ATOM 0 H VAL A 858 1.401 8.097 -2.850 1.00 0.00 H new ATOM 0 HA VAL A 858 2.481 6.913 -0.493 1.00 0.00 H new ATOM 0 HB VAL A 858 3.704 7.418 -3.238 1.00 0.00 H new ATOM 0 HG11 VAL A 858 5.300 5.648 -2.631 1.00 0.00 H new ATOM 0 HG12 VAL A 858 5.424 7.051 -1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 858 4.593 5.575 -0.999 1.00 0.00 H new ATOM 0 HG21 VAL A 858 3.136 5.061 -3.671 1.00 0.00 H new ATOM 0 HG22 VAL A 858 2.339 4.965 -2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 858 1.687 6.040 -3.342 1.00 0.00 H new ATOM 1144 N MET A 859 3.839 9.709 -1.642 1.00 0.00 N ATOM 1145 CA MET A 859 4.692 10.835 -1.279 1.00 0.00 C ATOM 1146 C MET A 859 4.200 11.498 0.004 1.00 0.00 C ATOM 1147 O MET A 859 4.980 12.102 0.741 1.00 0.00 O ATOM 1148 CB MET A 859 4.730 11.859 -2.414 1.00 0.00 C ATOM 1149 CG MET A 859 5.828 11.597 -3.433 1.00 0.00 C ATOM 1150 SD MET A 859 6.009 12.941 -4.620 1.00 0.00 S ATOM 1151 CE MET A 859 4.542 12.710 -5.621 1.00 0.00 C ATOM 0 H MET A 859 3.409 9.785 -2.564 1.00 0.00 H new ATOM 0 HA MET A 859 5.699 10.456 -1.108 1.00 0.00 H new ATOM 0 HB2 MET A 859 3.766 11.861 -2.923 1.00 0.00 H new ATOM 0 HB3 MET A 859 4.869 12.854 -1.990 1.00 0.00 H new ATOM 0 HG2 MET A 859 6.774 11.448 -2.912 1.00 0.00 H new ATOM 0 HG3 MET A 859 5.609 10.673 -3.967 1.00 0.00 H new ATOM 0 HE1 MET A 859 4.565 13.399 -6.465 1.00 0.00 H new ATOM 0 HE2 MET A 859 4.511 11.685 -5.990 1.00 0.00 H new ATOM 0 HE3 MET A 859 3.655 12.905 -5.018 1.00 0.00 H new ATOM 1161 N LYS A 860 2.902 11.382 0.265 1.00 0.00 N ATOM 1162 CA LYS A 860 2.306 11.969 1.459 1.00 0.00 C ATOM 1163 C LYS A 860 2.341 10.985 2.625 1.00 0.00 C ATOM 1164 O LYS A 860 2.950 11.257 3.659 1.00 0.00 O ATOM 1165 CB LYS A 860 0.863 12.392 1.178 1.00 0.00 C ATOM 1166 CG LYS A 860 0.747 13.554 0.207 1.00 0.00 C ATOM 1167 CD LYS A 860 1.038 14.881 0.888 1.00 0.00 C ATOM 1168 CE LYS A 860 0.639 16.057 0.010 1.00 0.00 C ATOM 1169 NZ LYS A 860 1.719 16.425 -0.947 1.00 0.00 N ATOM 0 H LYS A 860 2.243 10.886 -0.335 1.00 0.00 H new ATOM 0 HA LYS A 860 2.890 12.848 1.731 1.00 0.00 H new ATOM 0 HB2 LYS A 860 0.315 11.539 0.778 1.00 0.00 H new ATOM 0 HB3 LYS A 860 0.384 12.666 2.118 1.00 0.00 H new ATOM 0 HG2 LYS A 860 1.442 13.409 -0.620 1.00 0.00 H new ATOM 0 HG3 LYS A 860 -0.256 13.575 -0.219 1.00 0.00 H new ATOM 0 HD2 LYS A 860 0.498 14.932 1.834 1.00 0.00 H new ATOM 0 HD3 LYS A 860 2.100 14.945 1.123 1.00 0.00 H new ATOM 0 HE2 LYS A 860 -0.267 15.807 -0.543 1.00 0.00 H new ATOM 0 HE3 LYS A 860 0.402 16.916 0.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 1.409 17.230 -1.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 2.576 16.688 -0.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 1.928 15.614 -1.564 1.00 0.00 H new ATOM 1183 N MET A 861 1.687 9.842 2.448 1.00 0.00 N ATOM 1184 CA MET A 861 1.646 8.818 3.485 1.00 0.00 C ATOM 1185 C MET A 861 3.056 8.420 3.912 1.00 0.00 C ATOM 1186 O MET A 861 3.344 8.301 5.103 1.00 0.00 O ATOM 1187 CB MET A 861 0.885 7.588 2.987 1.00 0.00 C ATOM 1188 CG MET A 861 -0.534 7.892 2.537 1.00 0.00 C ATOM 1189 SD MET A 861 -1.733 7.754 3.876 1.00 0.00 S ATOM 1190 CE MET A 861 -1.915 5.975 3.985 1.00 0.00 C ATOM 0 H MET A 861 1.179 9.602 1.597 1.00 0.00 H new ATOM 0 HA MET A 861 1.127 9.232 4.349 1.00 0.00 H new ATOM 0 HB2 MET A 861 1.433 7.143 2.156 1.00 0.00 H new ATOM 0 HB3 MET A 861 0.853 6.844 3.783 1.00 0.00 H new ATOM 0 HG2 MET A 861 -0.572 8.900 2.124 1.00 0.00 H new ATOM 0 HG3 MET A 861 -0.811 7.208 1.735 1.00 0.00 H new ATOM 0 HE1 MET A 861 -2.971 5.723 4.083 1.00 0.00 H new ATOM 0 HE2 MET A 861 -1.514 5.512 3.083 1.00 0.00 H new ATOM 0 HE3 MET A 861 -1.372 5.606 4.855 1.00 0.00 H new ATOM 1200 N ASP A 862 3.930 8.215 2.933 1.00 0.00 N ATOM 1201 CA ASP A 862 5.309 7.831 3.207 1.00 0.00 C ATOM 1202 C ASP A 862 5.884 8.653 4.356 1.00 0.00 C ATOM 1203 O ASP A 862 6.110 9.855 4.221 1.00 0.00 O ATOM 1204 CB ASP A 862 6.170 8.010 1.955 1.00 0.00 C ATOM 1205 CG ASP A 862 7.651 7.861 2.244 1.00 0.00 C ATOM 1206 OD1 ASP A 862 8.116 6.710 2.382 1.00 0.00 O ATOM 1207 OD2 ASP A 862 8.345 8.896 2.331 1.00 0.00 O ATOM 0 H ASP A 862 3.707 8.308 1.942 1.00 0.00 H new ATOM 0 HA ASP A 862 5.316 6.780 3.496 1.00 0.00 H new ATOM 0 HB2 ASP A 862 5.873 7.276 1.206 1.00 0.00 H new ATOM 0 HB3 ASP A 862 5.984 8.995 1.527 1.00 0.00 H new ATOM 1212 N GLY A 863 6.117 7.996 5.489 1.00 0.00 N ATOM 1213 CA GLY A 863 6.661 8.683 6.646 1.00 0.00 C ATOM 1214 C GLY A 863 5.689 9.685 7.236 1.00 0.00 C ATOM 1215 O GLY A 863 6.049 10.834 7.488 1.00 0.00 O ATOM 0 H GLY A 863 5.939 7.001 5.626 1.00 0.00 H new ATOM 0 HA2 GLY A 863 6.929 7.950 7.407 1.00 0.00 H new ATOM 0 HA3 GLY A 863 7.579 9.197 6.361 1.00 0.00 H new ATOM 1219 N MET A 864 4.453 9.249 7.456 1.00 0.00 N ATOM 1220 CA MET A 864 3.426 10.117 8.021 1.00 0.00 C ATOM 1221 C MET A 864 3.098 9.711 9.454 1.00 0.00 C ATOM 1222 O MET A 864 3.479 8.631 9.907 1.00 0.00 O ATOM 1223 CB MET A 864 2.161 10.070 7.162 1.00 0.00 C ATOM 1224 CG MET A 864 1.333 8.812 7.367 1.00 0.00 C ATOM 1225 SD MET A 864 -0.258 8.881 6.522 1.00 0.00 S ATOM 1226 CE MET A 864 -1.205 9.885 7.664 1.00 0.00 C ATOM 0 H MET A 864 4.138 8.300 7.252 1.00 0.00 H new ATOM 0 HA MET A 864 3.812 11.136 8.032 1.00 0.00 H new ATOM 0 HB2 MET A 864 1.546 10.941 7.388 1.00 0.00 H new ATOM 0 HB3 MET A 864 2.442 10.143 6.111 1.00 0.00 H new ATOM 0 HG2 MET A 864 1.894 7.950 7.007 1.00 0.00 H new ATOM 0 HG3 MET A 864 1.167 8.661 8.434 1.00 0.00 H new ATOM 0 HE1 MET A 864 -2.086 9.332 7.990 1.00 0.00 H new ATOM 0 HE2 MET A 864 -0.589 10.130 8.529 1.00 0.00 H new ATOM 0 HE3 MET A 864 -1.517 10.804 7.168 1.00 0.00 H new ATOM 1236 N THR A 865 2.389 10.582 10.164 1.00 0.00 N ATOM 1237 CA THR A 865 2.011 10.315 11.546 1.00 0.00 C ATOM 1238 C THR A 865 0.575 9.809 11.635 1.00 0.00 C ATOM 1239 O THR A 865 -0.323 10.348 10.988 1.00 0.00 O ATOM 1240 CB THR A 865 2.155 11.573 12.422 1.00 0.00 C ATOM 1241 OG1 THR A 865 3.365 12.264 12.091 1.00 0.00 O ATOM 1242 CG2 THR A 865 2.161 11.208 13.898 1.00 0.00 C ATOM 0 H THR A 865 2.064 11.480 9.804 1.00 0.00 H new ATOM 0 HA THR A 865 2.689 9.545 11.915 1.00 0.00 H new ATOM 0 HB THR A 865 1.301 12.223 12.229 1.00 0.00 H new ATOM 0 HG1 THR A 865 3.449 13.064 12.651 1.00 0.00 H new ATOM 0 HG21 THR A 865 2.264 12.113 14.496 1.00 0.00 H new ATOM 0 HG22 THR A 865 1.226 10.709 14.153 1.00 0.00 H new ATOM 0 HG23 THR A 865 2.997 10.540 14.104 1.00 0.00 H new ATOM 1250 N ILE A 866 0.367 8.773 12.440 1.00 0.00 N ATOM 1251 CA ILE A 866 -0.961 8.197 12.615 1.00 0.00 C ATOM 1252 C ILE A 866 -1.126 7.610 14.013 1.00 0.00 C ATOM 1253 O ILE A 866 -0.502 6.606 14.355 1.00 0.00 O ATOM 1254 CB ILE A 866 -1.239 7.098 11.573 1.00 0.00 C ATOM 1255 CG1 ILE A 866 -1.316 7.703 10.170 1.00 0.00 C ATOM 1256 CG2 ILE A 866 -2.527 6.362 11.910 1.00 0.00 C ATOM 1257 CD1 ILE A 866 -1.280 6.671 9.064 1.00 0.00 C ATOM 0 H ILE A 866 1.100 8.315 12.981 1.00 0.00 H new ATOM 0 HA ILE A 866 -1.677 9.007 12.477 1.00 0.00 H new ATOM 0 HB ILE A 866 -0.418 6.381 11.595 1.00 0.00 H new ATOM 0 HG12 ILE A 866 -2.234 8.284 10.084 1.00 0.00 H new ATOM 0 HG13 ILE A 866 -0.486 8.396 10.036 1.00 0.00 H new ATOM 0 HG21 ILE A 866 -2.710 5.588 11.164 1.00 0.00 H new ATOM 0 HG22 ILE A 866 -2.437 5.903 12.895 1.00 0.00 H new ATOM 0 HG23 ILE A 866 -3.359 7.067 11.913 1.00 0.00 H new ATOM 0 HD11 ILE A 866 -1.338 7.171 8.097 1.00 0.00 H new ATOM 0 HD12 ILE A 866 -0.350 6.105 9.124 1.00 0.00 H new ATOM 0 HD13 ILE A 866 -2.125 5.992 9.173 1.00 0.00 H new ATOM 1269 N LYS A 867 -1.973 8.243 14.818 1.00 0.00 N ATOM 1270 CA LYS A 867 -2.224 7.784 16.179 1.00 0.00 C ATOM 1271 C LYS A 867 -0.940 7.795 17.002 1.00 0.00 C ATOM 1272 O LYS A 867 -0.705 6.899 17.813 1.00 0.00 O ATOM 1273 CB LYS A 867 -2.819 6.374 16.161 1.00 0.00 C ATOM 1274 CG LYS A 867 -3.958 6.207 15.169 1.00 0.00 C ATOM 1275 CD LYS A 867 -5.300 6.538 15.800 1.00 0.00 C ATOM 1276 CE LYS A 867 -5.936 5.310 16.433 1.00 0.00 C ATOM 1277 NZ LYS A 867 -7.341 5.567 16.853 1.00 0.00 N ATOM 0 H LYS A 867 -2.498 9.076 14.551 1.00 0.00 H new ATOM 0 HA LYS A 867 -2.937 8.467 16.641 1.00 0.00 H new ATOM 0 HB2 LYS A 867 -2.032 5.659 15.921 1.00 0.00 H new ATOM 0 HB3 LYS A 867 -3.179 6.128 17.160 1.00 0.00 H new ATOM 0 HG2 LYS A 867 -3.790 6.854 14.308 1.00 0.00 H new ATOM 0 HG3 LYS A 867 -3.972 5.182 14.799 1.00 0.00 H new ATOM 0 HD2 LYS A 867 -5.167 7.311 16.557 1.00 0.00 H new ATOM 0 HD3 LYS A 867 -5.969 6.946 15.042 1.00 0.00 H new ATOM 0 HE2 LYS A 867 -5.915 4.483 15.723 1.00 0.00 H new ATOM 0 HE3 LYS A 867 -5.349 5.002 17.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 867 -7.739 4.706 17.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 867 -7.359 6.339 17.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 867 -7.908 5.836 16.023 1.00 0.00 H new ATOM 1291 N GLU A 868 -0.114 8.814 16.790 1.00 0.00 N ATOM 1292 CA GLU A 868 1.145 8.941 17.514 1.00 0.00 C ATOM 1293 C GLU A 868 2.112 7.828 17.121 1.00 0.00 C ATOM 1294 O GLU A 868 2.732 7.199 17.978 1.00 0.00 O ATOM 1295 CB GLU A 868 0.896 8.906 19.023 1.00 0.00 C ATOM 1296 CG GLU A 868 1.915 9.698 19.826 1.00 0.00 C ATOM 1297 CD GLU A 868 1.936 9.306 21.291 1.00 0.00 C ATOM 1298 OE1 GLU A 868 1.031 9.740 22.034 1.00 0.00 O ATOM 1299 OE2 GLU A 868 2.857 8.566 21.693 1.00 0.00 O ATOM 0 H GLU A 868 -0.294 9.564 16.123 1.00 0.00 H new ATOM 0 HA GLU A 868 1.593 9.899 17.249 1.00 0.00 H new ATOM 0 HB2 GLU A 868 -0.100 9.299 19.228 1.00 0.00 H new ATOM 0 HB3 GLU A 868 0.906 7.870 19.361 1.00 0.00 H new ATOM 0 HG2 GLU A 868 2.906 9.546 19.399 1.00 0.00 H new ATOM 0 HG3 GLU A 868 1.691 10.761 19.742 1.00 0.00 H new ATOM 1306 N ASN A 869 2.235 7.590 15.819 1.00 0.00 N ATOM 1307 CA ASN A 869 3.126 6.553 15.312 1.00 0.00 C ATOM 1308 C ASN A 869 3.504 6.823 13.859 1.00 0.00 C ATOM 1309 O ASN A 869 2.648 6.823 12.974 1.00 0.00 O ATOM 1310 CB ASN A 869 2.462 5.179 15.431 1.00 0.00 C ATOM 1311 CG ASN A 869 3.468 4.045 15.387 1.00 0.00 C ATOM 1312 OD1 ASN A 869 4.306 3.979 14.488 1.00 0.00 O ATOM 1313 ND2 ASN A 869 3.390 3.146 16.361 1.00 0.00 N ATOM 0 H ASN A 869 1.729 8.101 15.096 1.00 0.00 H new ATOM 0 HA ASN A 869 4.035 6.564 15.913 1.00 0.00 H new ATOM 0 HB2 ASN A 869 1.902 5.129 16.365 1.00 0.00 H new ATOM 0 HB3 ASN A 869 1.743 5.055 14.621 1.00 0.00 H new ATOM 0 HD21 ASN A 869 4.041 2.361 16.384 1.00 0.00 H new ATOM 0 HD22 ASN A 869 2.679 3.240 17.086 1.00 0.00 H new ATOM 1320 N ILE A 870 4.791 7.052 13.622 1.00 0.00 N ATOM 1321 CA ILE A 870 5.283 7.321 12.276 1.00 0.00 C ATOM 1322 C ILE A 870 5.241 6.065 11.413 1.00 0.00 C ATOM 1323 O ILE A 870 5.946 5.092 11.682 1.00 0.00 O ATOM 1324 CB ILE A 870 6.724 7.865 12.301 1.00 0.00 C ATOM 1325 CG1 ILE A 870 6.724 9.354 12.651 1.00 0.00 C ATOM 1326 CG2 ILE A 870 7.402 7.630 10.960 1.00 0.00 C ATOM 1327 CD1 ILE A 870 6.090 10.225 11.589 1.00 0.00 C ATOM 0 H ILE A 870 5.512 7.057 14.344 1.00 0.00 H new ATOM 0 HA ILE A 870 4.625 8.076 11.846 1.00 0.00 H new ATOM 0 HB ILE A 870 7.285 7.331 13.068 1.00 0.00 H new ATOM 0 HG12 ILE A 870 6.193 9.498 13.592 1.00 0.00 H new ATOM 0 HG13 ILE A 870 7.751 9.681 12.812 1.00 0.00 H new ATOM 0 HG21 ILE A 870 8.419 8.020 10.993 1.00 0.00 H new ATOM 0 HG22 ILE A 870 7.430 6.561 10.749 1.00 0.00 H new ATOM 0 HG23 ILE A 870 6.843 8.141 10.175 1.00 0.00 H new ATOM 0 HD11 ILE A 870 6.125 11.268 11.905 1.00 0.00 H new ATOM 0 HD12 ILE A 870 6.635 10.111 10.652 1.00 0.00 H new ATOM 0 HD13 ILE A 870 5.052 9.925 11.444 1.00 0.00 H new ATOM 1339 N ILE A 871 4.411 6.094 10.376 1.00 0.00 N ATOM 1340 CA ILE A 871 4.280 4.958 9.471 1.00 0.00 C ATOM 1341 C ILE A 871 5.010 5.214 8.158 1.00 0.00 C ATOM 1342 O ILE A 871 5.065 6.345 7.674 1.00 0.00 O ATOM 1343 CB ILE A 871 2.802 4.646 9.171 1.00 0.00 C ATOM 1344 CG1 ILE A 871 2.242 5.647 8.158 1.00 0.00 C ATOM 1345 CG2 ILE A 871 1.984 4.669 10.454 1.00 0.00 C ATOM 1346 CD1 ILE A 871 2.649 5.354 6.731 1.00 0.00 C ATOM 0 H ILE A 871 3.819 6.891 10.141 1.00 0.00 H new ATOM 0 HA ILE A 871 4.730 4.101 9.973 1.00 0.00 H new ATOM 0 HB ILE A 871 2.738 3.647 8.740 1.00 0.00 H new ATOM 0 HG12 ILE A 871 1.154 5.648 8.224 1.00 0.00 H new ATOM 0 HG13 ILE A 871 2.579 6.649 8.425 1.00 0.00 H new ATOM 0 HG21 ILE A 871 0.942 4.447 10.225 1.00 0.00 H new ATOM 0 HG22 ILE A 871 2.371 3.921 11.146 1.00 0.00 H new ATOM 0 HG23 ILE A 871 2.052 5.656 10.911 1.00 0.00 H new ATOM 0 HD11 ILE A 871 2.216 6.103 6.068 1.00 0.00 H new ATOM 0 HD12 ILE A 871 3.736 5.382 6.650 1.00 0.00 H new ATOM 0 HD13 ILE A 871 2.289 4.366 6.446 1.00 0.00 H new ATOM 1358 N LYS A 872 5.571 4.155 7.583 1.00 0.00 N ATOM 1359 CA LYS A 872 6.296 4.262 6.323 1.00 0.00 C ATOM 1360 C LYS A 872 5.482 3.675 5.174 1.00 0.00 C ATOM 1361 O LYS A 872 4.748 2.703 5.353 1.00 0.00 O ATOM 1362 CB LYS A 872 7.644 3.544 6.424 1.00 0.00 C ATOM 1363 CG LYS A 872 8.572 3.824 5.255 1.00 0.00 C ATOM 1364 CD LYS A 872 9.997 3.392 5.558 1.00 0.00 C ATOM 1365 CE LYS A 872 10.138 1.878 5.530 1.00 0.00 C ATOM 1366 NZ LYS A 872 11.557 1.456 5.370 1.00 0.00 N ATOM 0 H LYS A 872 5.537 3.212 7.971 1.00 0.00 H new ATOM 0 HA LYS A 872 6.467 5.319 6.121 1.00 0.00 H new ATOM 0 HB2 LYS A 872 8.137 3.844 7.348 1.00 0.00 H new ATOM 0 HB3 LYS A 872 7.470 2.470 6.490 1.00 0.00 H new ATOM 0 HG2 LYS A 872 8.212 3.299 4.370 1.00 0.00 H new ATOM 0 HG3 LYS A 872 8.555 4.889 5.023 1.00 0.00 H new ATOM 0 HD2 LYS A 872 10.675 3.835 4.829 1.00 0.00 H new ATOM 0 HD3 LYS A 872 10.292 3.768 6.538 1.00 0.00 H new ATOM 0 HE2 LYS A 872 9.736 1.459 6.452 1.00 0.00 H new ATOM 0 HE3 LYS A 872 9.544 1.473 4.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 872 11.611 0.417 5.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 872 11.933 1.835 4.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 872 12.119 1.821 6.165 1.00 0.00 H new ATOM 1380 N VAL A 873 5.616 4.272 3.994 1.00 0.00 N ATOM 1381 CA VAL A 873 4.894 3.808 2.816 1.00 0.00 C ATOM 1382 C VAL A 873 5.844 3.577 1.646 1.00 0.00 C ATOM 1383 O VAL A 873 6.806 4.321 1.457 1.00 0.00 O ATOM 1384 CB VAL A 873 3.808 4.813 2.390 1.00 0.00 C ATOM 1385 CG1 VAL A 873 3.033 4.287 1.191 1.00 0.00 C ATOM 1386 CG2 VAL A 873 2.871 5.108 3.553 1.00 0.00 C ATOM 0 H VAL A 873 6.218 5.078 3.829 1.00 0.00 H new ATOM 0 HA VAL A 873 4.419 2.865 3.087 1.00 0.00 H new ATOM 0 HB VAL A 873 4.294 5.744 2.098 1.00 0.00 H new ATOM 0 HG11 VAL A 873 2.270 5.011 0.905 1.00 0.00 H new ATOM 0 HG12 VAL A 873 3.716 4.131 0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 873 2.557 3.342 1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 873 2.109 5.820 3.235 1.00 0.00 H new ATOM 0 HG22 VAL A 873 2.392 4.184 3.877 1.00 0.00 H new ATOM 0 HG23 VAL A 873 3.440 5.531 4.381 1.00 0.00 H new ATOM 1396 N ALA A 874 5.566 2.541 0.861 1.00 0.00 N ATOM 1397 CA ALA A 874 6.394 2.213 -0.293 1.00 0.00 C ATOM 1398 C ALA A 874 5.558 1.605 -1.414 1.00 0.00 C ATOM 1399 O ALA A 874 4.561 0.929 -1.159 1.00 0.00 O ATOM 1400 CB ALA A 874 7.511 1.262 0.111 1.00 0.00 C ATOM 0 H ALA A 874 4.774 1.915 1.003 1.00 0.00 H new ATOM 0 HA ALA A 874 6.836 3.137 -0.666 1.00 0.00 H new ATOM 0 HB1 ALA A 874 8.121 1.026 -0.761 1.00 0.00 H new ATOM 0 HB2 ALA A 874 8.133 1.733 0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 874 7.080 0.344 0.512 1.00 0.00 H new ATOM 1406 N ILE A 875 5.970 1.849 -2.653 1.00 0.00 N ATOM 1407 CA ILE A 875 5.258 1.325 -3.812 1.00 0.00 C ATOM 1408 C ILE A 875 5.244 -0.200 -3.804 1.00 0.00 C ATOM 1409 O ILE A 875 6.290 -0.841 -3.701 1.00 0.00 O ATOM 1410 CB ILE A 875 5.889 1.814 -5.129 1.00 0.00 C ATOM 1411 CG1 ILE A 875 5.848 3.342 -5.202 1.00 0.00 C ATOM 1412 CG2 ILE A 875 5.169 1.201 -6.321 1.00 0.00 C ATOM 1413 CD1 ILE A 875 4.446 3.909 -5.211 1.00 0.00 C ATOM 0 H ILE A 875 6.793 2.406 -2.880 1.00 0.00 H new ATOM 0 HA ILE A 875 4.235 1.697 -3.749 1.00 0.00 H new ATOM 0 HB ILE A 875 6.931 1.495 -5.157 1.00 0.00 H new ATOM 0 HG12 ILE A 875 6.392 3.753 -4.352 1.00 0.00 H new ATOM 0 HG13 ILE A 875 6.369 3.669 -6.102 1.00 0.00 H new ATOM 0 HG21 ILE A 875 5.626 1.556 -7.244 1.00 0.00 H new ATOM 0 HG22 ILE A 875 5.245 0.115 -6.273 1.00 0.00 H new ATOM 0 HG23 ILE A 875 4.119 1.492 -6.301 1.00 0.00 H new ATOM 0 HD11 ILE A 875 4.494 4.997 -5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 875 3.905 3.527 -6.076 1.00 0.00 H new ATOM 0 HD13 ILE A 875 3.928 3.613 -4.299 1.00 0.00 H new ATOM 1425 N SER A 876 4.051 -0.776 -3.915 1.00 0.00 N ATOM 1426 CA SER A 876 3.899 -2.226 -3.919 1.00 0.00 C ATOM 1427 C SER A 876 4.965 -2.881 -4.792 1.00 0.00 C ATOM 1428 O SER A 876 5.372 -2.329 -5.814 1.00 0.00 O ATOM 1429 CB SER A 876 2.506 -2.613 -4.419 1.00 0.00 C ATOM 1430 OG SER A 876 2.288 -4.008 -4.293 1.00 0.00 O ATOM 0 H SER A 876 3.175 -0.260 -4.003 1.00 0.00 H new ATOM 0 HA SER A 876 4.022 -2.582 -2.896 1.00 0.00 H new ATOM 0 HB2 SER A 876 1.749 -2.071 -3.852 1.00 0.00 H new ATOM 0 HB3 SER A 876 2.396 -2.317 -5.462 1.00 0.00 H new ATOM 0 HG SER A 876 1.390 -4.229 -4.618 1.00 0.00 H new