USER MOD reduce.3.24.130724 H: found=0, std=0, add=464, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 463 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 804 SER OG : rot -77:sc= 0.744 USER MOD Set 1.2: A 805 ASN : amide:sc= -3.45! C(o=-2.7!,f=-5.4!) USER MOD Single : A 794 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 796 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.209) USER MOD Single : A 797 SER OG : rot -12:sc= 0.25 USER MOD Single : A 806 HIS : no HE2:sc= -1.59 X(o=-1.6,f=-1.7) USER MOD Single : A 807 HIS : no HD1:sc= -0.244 K(o=-0.24,f=-1.2) USER MOD Single : A 810 SER OG : rot -50:sc= 0.158 USER MOD Single : A 811 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 812 SER OG : rot -132:sc= -0.202 USER MOD Single : A 815 SER OG : rot 180:sc= 0 USER MOD Single : A 816 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 818 LYS NZ :NH3+ -165:sc= -0.0143 (180deg=-0.168) USER MOD Single : A 820 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.077) USER MOD Single : A 823 SER OG : rot 180:sc= 0 USER MOD Single : A 827 TYR OH : rot 30:sc= -0.701 USER MOD Single : A 828 LYS NZ :NH3+ 165:sc=-0.00557 (180deg=-0.141) USER MOD Single : A 832 SER OG : rot 180:sc= 0 USER MOD Single : A 833 SER OG : rot 180:sc= -0.0204 USER MOD Single : A 834 SER OG : rot 180:sc= 0 USER MOD Single : A 835 MET CE :methyl -158:sc= -0.313 (180deg=-1.18) USER MOD Single : A 841 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 842 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.0016) USER MOD Single : A 843 TYR OH : rot 180:sc= -1.98 USER MOD Single : A 846 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0164) USER MOD ----------------------------------------------------------------- ATOM 208 N GLU A 793 2.796 -11.728 -2.376 1.00 0.00 N ATOM 209 CA GLU A 793 1.707 -12.077 -1.471 1.00 0.00 C ATOM 210 C GLU A 793 1.687 -11.148 -0.260 1.00 0.00 C ATOM 211 O GLU A 793 0.742 -10.382 -0.067 1.00 0.00 O ATOM 212 CB GLU A 793 1.843 -13.530 -1.011 1.00 0.00 C ATOM 213 CG GLU A 793 0.949 -13.881 0.167 1.00 0.00 C ATOM 214 CD GLU A 793 0.577 -15.351 0.199 1.00 0.00 C ATOM 215 OE1 GLU A 793 1.399 -16.161 0.676 1.00 0.00 O ATOM 216 OE2 GLU A 793 -0.536 -15.691 -0.253 1.00 0.00 O ATOM 0 HA GLU A 793 0.768 -11.961 -2.012 1.00 0.00 H new ATOM 0 HB2 GLU A 793 1.606 -14.190 -1.845 1.00 0.00 H new ATOM 0 HB3 GLU A 793 2.881 -13.720 -0.738 1.00 0.00 H new ATOM 0 HG2 GLU A 793 1.457 -13.618 1.095 1.00 0.00 H new ATOM 0 HG3 GLU A 793 0.040 -13.281 0.120 1.00 0.00 H new ATOM 223 N LYS A 794 2.735 -11.222 0.553 1.00 0.00 N ATOM 224 CA LYS A 794 2.840 -10.389 1.745 1.00 0.00 C ATOM 225 C LYS A 794 2.711 -8.912 1.389 1.00 0.00 C ATOM 226 O LYS A 794 1.894 -8.194 1.966 1.00 0.00 O ATOM 227 CB LYS A 794 4.174 -10.640 2.451 1.00 0.00 C ATOM 228 CG LYS A 794 5.384 -10.225 1.632 1.00 0.00 C ATOM 229 CD LYS A 794 6.682 -10.632 2.309 1.00 0.00 C ATOM 230 CE LYS A 794 7.064 -9.659 3.413 1.00 0.00 C ATOM 231 NZ LYS A 794 8.492 -9.802 3.809 1.00 0.00 N ATOM 0 H LYS A 794 3.525 -11.851 0.408 1.00 0.00 H new ATOM 0 HA LYS A 794 2.024 -10.655 2.417 1.00 0.00 H new ATOM 0 HB2 LYS A 794 4.183 -10.098 3.397 1.00 0.00 H new ATOM 0 HB3 LYS A 794 4.255 -11.700 2.691 1.00 0.00 H new ATOM 0 HG2 LYS A 794 5.329 -10.681 0.644 1.00 0.00 H new ATOM 0 HG3 LYS A 794 5.372 -9.145 1.485 1.00 0.00 H new ATOM 0 HD2 LYS A 794 6.578 -11.634 2.726 1.00 0.00 H new ATOM 0 HD3 LYS A 794 7.481 -10.676 1.569 1.00 0.00 H new ATOM 0 HE2 LYS A 794 6.881 -8.638 3.077 1.00 0.00 H new ATOM 0 HE3 LYS A 794 6.428 -9.828 4.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 794 8.713 -9.121 4.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 794 8.662 -10.768 4.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 794 9.101 -9.616 2.986 1.00 0.00 H new ATOM 245 N ILE A 795 3.521 -8.464 0.435 1.00 0.00 N ATOM 246 CA ILE A 795 3.495 -7.073 0.001 1.00 0.00 C ATOM 247 C ILE A 795 2.065 -6.597 -0.231 1.00 0.00 C ATOM 248 O ILE A 795 1.649 -5.564 0.295 1.00 0.00 O ATOM 249 CB ILE A 795 4.308 -6.871 -1.291 1.00 0.00 C ATOM 250 CG1 ILE A 795 5.796 -7.104 -1.024 1.00 0.00 C ATOM 251 CG2 ILE A 795 4.077 -5.475 -1.849 1.00 0.00 C ATOM 252 CD1 ILE A 795 6.238 -8.530 -1.268 1.00 0.00 C ATOM 0 H ILE A 795 4.204 -9.045 -0.052 1.00 0.00 H new ATOM 0 HA ILE A 795 3.946 -6.484 0.800 1.00 0.00 H new ATOM 0 HB ILE A 795 3.973 -7.597 -2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 795 6.379 -6.438 -1.659 1.00 0.00 H new ATOM 0 HG13 ILE A 795 6.018 -6.835 0.009 1.00 0.00 H new ATOM 0 HG21 ILE A 795 4.658 -5.347 -2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 795 3.018 -5.343 -2.071 1.00 0.00 H new ATOM 0 HG23 ILE A 795 4.389 -4.733 -1.114 1.00 0.00 H new ATOM 0 HD11 ILE A 795 7.304 -8.621 -1.059 1.00 0.00 H new ATOM 0 HD12 ILE A 795 5.681 -9.201 -0.614 1.00 0.00 H new ATOM 0 HD13 ILE A 795 6.048 -8.797 -2.308 1.00 0.00 H new ATOM 264 N LYS A 796 1.315 -7.357 -1.022 1.00 0.00 N ATOM 265 CA LYS A 796 -0.070 -7.016 -1.323 1.00 0.00 C ATOM 266 C LYS A 796 -0.874 -6.823 -0.041 1.00 0.00 C ATOM 267 O LYS A 796 -1.603 -5.841 0.103 1.00 0.00 O ATOM 268 CB LYS A 796 -0.712 -8.110 -2.180 1.00 0.00 C ATOM 269 CG LYS A 796 -2.186 -7.877 -2.460 1.00 0.00 C ATOM 270 CD LYS A 796 -2.910 -9.179 -2.757 1.00 0.00 C ATOM 271 CE LYS A 796 -2.695 -9.621 -4.196 1.00 0.00 C ATOM 272 NZ LYS A 796 -1.481 -10.472 -4.340 1.00 0.00 N ATOM 0 H LYS A 796 1.644 -8.214 -1.467 1.00 0.00 H new ATOM 0 HA LYS A 796 -0.074 -6.078 -1.879 1.00 0.00 H new ATOM 0 HB2 LYS A 796 -0.177 -8.178 -3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 796 -0.594 -9.070 -1.677 1.00 0.00 H new ATOM 0 HG2 LYS A 796 -2.648 -7.391 -1.601 1.00 0.00 H new ATOM 0 HG3 LYS A 796 -2.294 -7.199 -3.306 1.00 0.00 H new ATOM 0 HD2 LYS A 796 -2.556 -9.956 -2.080 1.00 0.00 H new ATOM 0 HD3 LYS A 796 -3.976 -9.055 -2.569 1.00 0.00 H new ATOM 0 HE2 LYS A 796 -3.569 -10.174 -4.540 1.00 0.00 H new ATOM 0 HE3 LYS A 796 -2.601 -8.743 -4.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 796 -0.877 -10.090 -5.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 796 -0.953 -10.478 -3.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 796 -1.764 -11.443 -4.581 1.00 0.00 H new ATOM 286 N SER A 797 -0.734 -7.764 0.887 1.00 0.00 N ATOM 287 CA SER A 797 -1.449 -7.697 2.156 1.00 0.00 C ATOM 288 C SER A 797 -1.212 -6.357 2.844 1.00 0.00 C ATOM 289 O SER A 797 -2.156 -5.632 3.159 1.00 0.00 O ATOM 290 CB SER A 797 -1.009 -8.839 3.074 1.00 0.00 C ATOM 291 OG SER A 797 -1.778 -8.862 4.265 1.00 0.00 O ATOM 0 H SER A 797 -0.132 -8.581 0.784 1.00 0.00 H new ATOM 0 HA SER A 797 -2.515 -7.796 1.949 1.00 0.00 H new ATOM 0 HB2 SER A 797 -1.113 -9.790 2.552 1.00 0.00 H new ATOM 0 HB3 SER A 797 0.046 -8.725 3.321 1.00 0.00 H new ATOM 0 HG SER A 797 -2.300 -8.035 4.334 1.00 0.00 H new ATOM 297 N ASP A 798 0.056 -6.033 3.074 1.00 0.00 N ATOM 298 CA ASP A 798 0.419 -4.779 3.724 1.00 0.00 C ATOM 299 C ASP A 798 -0.115 -3.586 2.939 1.00 0.00 C ATOM 300 O ASP A 798 -0.842 -2.750 3.477 1.00 0.00 O ATOM 301 CB ASP A 798 1.939 -4.674 3.864 1.00 0.00 C ATOM 302 CG ASP A 798 2.583 -3.986 2.676 1.00 0.00 C ATOM 303 OD1 ASP A 798 2.434 -2.752 2.553 1.00 0.00 O ATOM 304 OD2 ASP A 798 3.237 -4.681 1.871 1.00 0.00 O ATOM 0 H ASP A 798 0.850 -6.621 2.820 1.00 0.00 H new ATOM 0 HA ASP A 798 -0.031 -4.769 4.717 1.00 0.00 H new ATOM 0 HB2 ASP A 798 2.180 -4.124 4.774 1.00 0.00 H new ATOM 0 HB3 ASP A 798 2.361 -5.673 3.974 1.00 0.00 H new ATOM 309 N PHE A 799 0.250 -3.511 1.663 1.00 0.00 N ATOM 310 CA PHE A 799 -0.191 -2.418 0.804 1.00 0.00 C ATOM 311 C PHE A 799 -1.647 -2.059 1.085 1.00 0.00 C ATOM 312 O PHE A 799 -1.984 -0.891 1.277 1.00 0.00 O ATOM 313 CB PHE A 799 -0.023 -2.799 -0.668 1.00 0.00 C ATOM 314 CG PHE A 799 0.009 -1.617 -1.594 1.00 0.00 C ATOM 315 CD1 PHE A 799 0.985 -0.643 -1.462 1.00 0.00 C ATOM 316 CD2 PHE A 799 -0.938 -1.479 -2.596 1.00 0.00 C ATOM 317 CE1 PHE A 799 1.016 0.447 -2.311 1.00 0.00 C ATOM 318 CE2 PHE A 799 -0.912 -0.392 -3.449 1.00 0.00 C ATOM 319 CZ PHE A 799 0.067 0.572 -3.307 1.00 0.00 C ATOM 0 H PHE A 799 0.850 -4.194 1.201 1.00 0.00 H new ATOM 0 HA PHE A 799 0.428 -1.547 1.020 1.00 0.00 H new ATOM 0 HB2 PHE A 799 0.900 -3.367 -0.785 1.00 0.00 H new ATOM 0 HB3 PHE A 799 -0.841 -3.457 -0.960 1.00 0.00 H new ATOM 0 HD1 PHE A 799 1.731 -0.737 -0.686 1.00 0.00 H new ATOM 0 HD2 PHE A 799 -1.706 -2.230 -2.712 1.00 0.00 H new ATOM 0 HE1 PHE A 799 1.781 1.200 -2.196 1.00 0.00 H new ATOM 0 HE2 PHE A 799 -1.656 -0.296 -4.226 1.00 0.00 H new ATOM 0 HZ PHE A 799 0.090 1.422 -3.973 1.00 0.00 H new ATOM 329 N PHE A 800 -2.506 -3.073 1.108 1.00 0.00 N ATOM 330 CA PHE A 800 -3.927 -2.865 1.364 1.00 0.00 C ATOM 331 C PHE A 800 -4.149 -2.288 2.759 1.00 0.00 C ATOM 332 O PHE A 800 -4.906 -1.333 2.933 1.00 0.00 O ATOM 333 CB PHE A 800 -4.691 -4.182 1.217 1.00 0.00 C ATOM 334 CG PHE A 800 -4.960 -4.563 -0.211 1.00 0.00 C ATOM 335 CD1 PHE A 800 -5.523 -3.652 -1.090 1.00 0.00 C ATOM 336 CD2 PHE A 800 -4.651 -5.832 -0.673 1.00 0.00 C ATOM 337 CE1 PHE A 800 -5.772 -3.999 -2.405 1.00 0.00 C ATOM 338 CE2 PHE A 800 -4.897 -6.184 -1.987 1.00 0.00 C ATOM 339 CZ PHE A 800 -5.459 -5.268 -2.853 1.00 0.00 C ATOM 0 H PHE A 800 -2.243 -4.046 0.953 1.00 0.00 H new ATOM 0 HA PHE A 800 -4.303 -2.151 0.631 1.00 0.00 H new ATOM 0 HB2 PHE A 800 -4.122 -4.978 1.696 1.00 0.00 H new ATOM 0 HB3 PHE A 800 -5.639 -4.104 1.749 1.00 0.00 H new ATOM 0 HD1 PHE A 800 -5.770 -2.659 -0.744 1.00 0.00 H new ATOM 0 HD2 PHE A 800 -4.213 -6.554 0.001 1.00 0.00 H new ATOM 0 HE1 PHE A 800 -6.210 -3.279 -3.081 1.00 0.00 H new ATOM 0 HE2 PHE A 800 -4.649 -7.176 -2.336 1.00 0.00 H new ATOM 0 HZ PHE A 800 -5.654 -5.543 -3.879 1.00 0.00 H new ATOM 349 N GLU A 801 -3.485 -2.876 3.749 1.00 0.00 N ATOM 350 CA GLU A 801 -3.612 -2.421 5.129 1.00 0.00 C ATOM 351 C GLU A 801 -3.407 -0.912 5.225 1.00 0.00 C ATOM 352 O GLU A 801 -4.191 -0.207 5.862 1.00 0.00 O ATOM 353 CB GLU A 801 -2.600 -3.142 6.022 1.00 0.00 C ATOM 354 CG GLU A 801 -3.097 -4.477 6.550 1.00 0.00 C ATOM 355 CD GLU A 801 -3.733 -5.331 5.471 1.00 0.00 C ATOM 356 OE1 GLU A 801 -4.752 -4.898 4.895 1.00 0.00 O ATOM 357 OE2 GLU A 801 -3.211 -6.433 5.203 1.00 0.00 O ATOM 0 H GLU A 801 -2.854 -3.667 3.622 1.00 0.00 H new ATOM 0 HA GLU A 801 -4.620 -2.656 5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 801 -1.681 -3.303 5.459 1.00 0.00 H new ATOM 0 HB3 GLU A 801 -2.348 -2.498 6.865 1.00 0.00 H new ATOM 0 HG2 GLU A 801 -2.263 -5.021 6.994 1.00 0.00 H new ATOM 0 HG3 GLU A 801 -3.823 -4.302 7.344 1.00 0.00 H new ATOM 364 N LEU A 802 -2.348 -0.423 4.589 1.00 0.00 N ATOM 365 CA LEU A 802 -2.039 1.003 4.603 1.00 0.00 C ATOM 366 C LEU A 802 -3.167 1.811 3.971 1.00 0.00 C ATOM 367 O LEU A 802 -3.777 2.661 4.622 1.00 0.00 O ATOM 368 CB LEU A 802 -0.728 1.267 3.859 1.00 0.00 C ATOM 369 CG LEU A 802 -0.310 2.733 3.737 1.00 0.00 C ATOM 370 CD1 LEU A 802 0.288 3.228 5.045 1.00 0.00 C ATOM 371 CD2 LEU A 802 0.679 2.912 2.595 1.00 0.00 C ATOM 0 H LEU A 802 -1.689 -0.992 4.058 1.00 0.00 H new ATOM 0 HA LEU A 802 -1.931 1.316 5.641 1.00 0.00 H new ATOM 0 HB2 LEU A 802 0.070 0.723 4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 802 -0.812 0.849 2.856 1.00 0.00 H new ATOM 0 HG LEU A 802 -1.197 3.327 3.519 1.00 0.00 H new ATOM 0 HD11 LEU A 802 0.580 4.273 4.939 1.00 0.00 H new ATOM 0 HD12 LEU A 802 -0.451 3.136 5.841 1.00 0.00 H new ATOM 0 HD13 LEU A 802 1.165 2.630 5.294 1.00 0.00 H new ATOM 0 HD21 LEU A 802 0.965 3.961 2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 802 1.565 2.306 2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 802 0.216 2.597 1.660 1.00 0.00 H new ATOM 383 N LEU A 803 -3.442 1.540 2.700 1.00 0.00 N ATOM 384 CA LEU A 803 -4.499 2.240 1.979 1.00 0.00 C ATOM 385 C LEU A 803 -5.791 2.260 2.791 1.00 0.00 C ATOM 386 O LEU A 803 -6.303 3.326 3.135 1.00 0.00 O ATOM 387 CB LEU A 803 -4.747 1.576 0.624 1.00 0.00 C ATOM 388 CG LEU A 803 -3.520 1.404 -0.273 1.00 0.00 C ATOM 389 CD1 LEU A 803 -3.844 0.500 -1.452 1.00 0.00 C ATOM 390 CD2 LEU A 803 -3.020 2.757 -0.757 1.00 0.00 C ATOM 0 H LEU A 803 -2.947 0.840 2.147 1.00 0.00 H new ATOM 0 HA LEU A 803 -4.175 3.268 1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 803 -5.186 0.594 0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 803 -5.488 2.165 0.083 1.00 0.00 H new ATOM 0 HG LEU A 803 -2.729 0.935 0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 803 -2.959 0.389 -2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 803 -4.154 -0.479 -1.086 1.00 0.00 H new ATOM 0 HD13 LEU A 803 -4.651 0.941 -2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 803 -2.147 2.616 -1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 803 -3.807 3.254 -1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 803 -2.748 3.372 0.101 1.00 0.00 H new ATOM 402 N SER A 804 -6.310 1.076 3.097 1.00 0.00 N ATOM 403 CA SER A 804 -7.542 0.957 3.867 1.00 0.00 C ATOM 404 C SER A 804 -7.463 1.781 5.149 1.00 0.00 C ATOM 405 O SER A 804 -8.469 2.305 5.626 1.00 0.00 O ATOM 406 CB SER A 804 -7.817 -0.509 4.207 1.00 0.00 C ATOM 407 OG SER A 804 -6.802 -1.038 5.043 1.00 0.00 O ATOM 0 H SER A 804 -5.896 0.185 2.823 1.00 0.00 H new ATOM 0 HA SER A 804 -8.360 1.341 3.258 1.00 0.00 H new ATOM 0 HB2 SER A 804 -8.783 -0.595 4.704 1.00 0.00 H new ATOM 0 HB3 SER A 804 -7.877 -1.093 3.289 1.00 0.00 H new ATOM 0 HG SER A 804 -6.004 -1.230 4.507 1.00 0.00 H new ATOM 413 N ASN A 805 -6.259 1.892 5.701 1.00 0.00 N ATOM 414 CA ASN A 805 -6.047 2.651 6.927 1.00 0.00 C ATOM 415 C ASN A 805 -6.086 4.152 6.651 1.00 0.00 C ATOM 416 O ASN A 805 -6.342 4.953 7.551 1.00 0.00 O ATOM 417 CB ASN A 805 -4.707 2.273 7.561 1.00 0.00 C ATOM 418 CG ASN A 805 -4.714 0.868 8.132 1.00 0.00 C ATOM 419 OD1 ASN A 805 -5.581 0.058 7.805 1.00 0.00 O ATOM 420 ND2 ASN A 805 -3.744 0.574 8.991 1.00 0.00 N ATOM 0 H ASN A 805 -5.415 1.466 5.318 1.00 0.00 H new ATOM 0 HA ASN A 805 -6.851 2.405 7.620 1.00 0.00 H new ATOM 0 HB2 ASN A 805 -3.918 2.354 6.813 1.00 0.00 H new ATOM 0 HB3 ASN A 805 -4.470 2.983 8.353 1.00 0.00 H new ATOM 0 HD21 ASN A 805 -3.697 -0.355 9.409 1.00 0.00 H new ATOM 0 HD22 ASN A 805 -3.046 1.278 9.233 1.00 0.00 H new ATOM 427 N HIS A 806 -5.831 4.525 5.401 1.00 0.00 N ATOM 428 CA HIS A 806 -5.838 5.929 5.006 1.00 0.00 C ATOM 429 C HIS A 806 -7.255 6.395 4.684 1.00 0.00 C ATOM 430 O HIS A 806 -7.458 7.245 3.816 1.00 0.00 O ATOM 431 CB HIS A 806 -4.930 6.144 3.795 1.00 0.00 C ATOM 432 CG HIS A 806 -3.476 6.228 4.144 1.00 0.00 C ATOM 433 ND1 HIS A 806 -2.626 7.171 3.606 1.00 0.00 N ATOM 434 CD2 HIS A 806 -2.723 5.480 4.984 1.00 0.00 C ATOM 435 CE1 HIS A 806 -1.413 6.999 4.099 1.00 0.00 C ATOM 436 NE2 HIS A 806 -1.444 5.979 4.938 1.00 0.00 N ATOM 0 H HIS A 806 -5.617 3.875 4.645 1.00 0.00 H new ATOM 0 HA HIS A 806 -5.462 6.519 5.842 1.00 0.00 H new ATOM 0 HB2 HIS A 806 -5.079 5.326 3.090 1.00 0.00 H new ATOM 0 HB3 HIS A 806 -5.227 7.062 3.287 1.00 0.00 H new ATOM 0 HD1 HIS A 806 -2.892 7.889 2.932 1.00 0.00 H new ATOM 0 HD2 HIS A 806 -3.064 4.646 5.580 1.00 0.00 H new ATOM 0 HE1 HIS A 806 -0.543 7.592 3.857 1.00 0.00 H new ATOM 444 N HIS A 807 -8.232 5.833 5.388 1.00 0.00 N ATOM 445 CA HIS A 807 -9.630 6.191 5.177 1.00 0.00 C ATOM 446 C HIS A 807 -9.896 6.501 3.706 1.00 0.00 C ATOM 447 O HIS A 807 -10.397 7.573 3.367 1.00 0.00 O ATOM 448 CB HIS A 807 -10.006 7.397 6.039 1.00 0.00 C ATOM 449 CG HIS A 807 -11.481 7.546 6.249 1.00 0.00 C ATOM 450 ND1 HIS A 807 -12.421 7.026 5.386 1.00 0.00 N ATOM 451 CD2 HIS A 807 -12.177 8.161 7.234 1.00 0.00 C ATOM 452 CE1 HIS A 807 -13.632 7.315 5.829 1.00 0.00 C ATOM 453 NE2 HIS A 807 -13.511 8.004 6.950 1.00 0.00 N ATOM 0 H HIS A 807 -8.082 5.128 6.110 1.00 0.00 H new ATOM 0 HA HIS A 807 -10.245 5.339 5.468 1.00 0.00 H new ATOM 0 HB2 HIS A 807 -9.516 7.307 7.009 1.00 0.00 H new ATOM 0 HB3 HIS A 807 -9.621 8.303 5.570 1.00 0.00 H new ATOM 0 HD2 HIS A 807 -11.760 8.679 8.085 1.00 0.00 H new ATOM 0 HE1 HIS A 807 -14.562 7.036 5.356 1.00 0.00 H new ATOM 0 HE2 HIS A 807 -14.283 8.361 7.513 1.00 0.00 H new ATOM 461 N LEU A 808 -9.556 5.555 2.837 1.00 0.00 N ATOM 462 CA LEU A 808 -9.757 5.726 1.403 1.00 0.00 C ATOM 463 C LEU A 808 -11.171 6.213 1.105 1.00 0.00 C ATOM 464 O LEU A 808 -12.039 6.204 1.979 1.00 0.00 O ATOM 465 CB LEU A 808 -9.495 4.409 0.670 1.00 0.00 C ATOM 466 CG LEU A 808 -8.026 4.040 0.458 1.00 0.00 C ATOM 467 CD1 LEU A 808 -7.909 2.730 -0.306 1.00 0.00 C ATOM 468 CD2 LEU A 808 -7.296 5.155 -0.276 1.00 0.00 C ATOM 0 H LEU A 808 -9.140 4.662 3.101 1.00 0.00 H new ATOM 0 HA LEU A 808 -9.051 6.478 1.050 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -9.974 3.604 1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -9.982 4.455 -0.304 1.00 0.00 H new ATOM 0 HG LEU A 808 -7.560 3.910 1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -6.857 2.484 -0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -8.395 1.935 0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -8.392 2.831 -1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -6.252 4.875 -0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -7.763 5.318 -1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 808 -7.349 6.072 0.311 1.00 0.00 H new ATOM 480 N ASP A 809 -11.397 6.637 -0.134 1.00 0.00 N ATOM 481 CA ASP A 809 -12.707 7.125 -0.548 1.00 0.00 C ATOM 482 C ASP A 809 -12.925 6.897 -2.040 1.00 0.00 C ATOM 483 O ASP A 809 -11.972 6.698 -2.794 1.00 0.00 O ATOM 484 CB ASP A 809 -12.848 8.613 -0.221 1.00 0.00 C ATOM 485 CG ASP A 809 -13.871 9.305 -1.100 1.00 0.00 C ATOM 486 OD1 ASP A 809 -15.028 8.837 -1.144 1.00 0.00 O ATOM 487 OD2 ASP A 809 -13.515 10.313 -1.745 1.00 0.00 O ATOM 0 H ASP A 809 -10.690 6.652 -0.869 1.00 0.00 H new ATOM 0 HA ASP A 809 -13.465 6.567 0.001 1.00 0.00 H new ATOM 0 HB2 ASP A 809 -13.135 8.727 0.824 1.00 0.00 H new ATOM 0 HB3 ASP A 809 -11.881 9.101 -0.341 1.00 0.00 H new ATOM 492 N SER A 810 -14.186 6.925 -2.460 1.00 0.00 N ATOM 493 CA SER A 810 -14.530 6.716 -3.862 1.00 0.00 C ATOM 494 C SER A 810 -13.789 7.705 -4.756 1.00 0.00 C ATOM 495 O SER A 810 -13.290 7.341 -5.821 1.00 0.00 O ATOM 496 CB SER A 810 -16.040 6.858 -4.065 1.00 0.00 C ATOM 497 OG SER A 810 -16.460 8.194 -3.847 1.00 0.00 O ATOM 0 H SER A 810 -14.986 7.090 -1.850 1.00 0.00 H new ATOM 0 HA SER A 810 -14.227 5.706 -4.139 1.00 0.00 H new ATOM 0 HB2 SER A 810 -16.305 6.551 -5.077 1.00 0.00 H new ATOM 0 HB3 SER A 810 -16.566 6.192 -3.381 1.00 0.00 H new ATOM 0 HG SER A 810 -16.100 8.515 -2.994 1.00 0.00 H new ATOM 503 N GLN A 811 -13.723 8.957 -4.315 1.00 0.00 N ATOM 504 CA GLN A 811 -13.044 10.000 -5.076 1.00 0.00 C ATOM 505 C GLN A 811 -11.564 10.060 -4.715 1.00 0.00 C ATOM 506 O GLN A 811 -10.942 11.121 -4.777 1.00 0.00 O ATOM 507 CB GLN A 811 -13.700 11.357 -4.818 1.00 0.00 C ATOM 508 CG GLN A 811 -15.163 11.414 -5.225 1.00 0.00 C ATOM 509 CD GLN A 811 -15.841 12.698 -4.790 1.00 0.00 C ATOM 510 OE1 GLN A 811 -15.211 13.753 -4.720 1.00 0.00 O ATOM 511 NE2 GLN A 811 -17.133 12.615 -4.494 1.00 0.00 N ATOM 0 H GLN A 811 -14.131 9.274 -3.435 1.00 0.00 H new ATOM 0 HA GLN A 811 -13.131 9.758 -6.135 1.00 0.00 H new ATOM 0 HB2 GLN A 811 -13.617 11.595 -3.758 1.00 0.00 H new ATOM 0 HB3 GLN A 811 -13.150 12.126 -5.361 1.00 0.00 H new ATOM 0 HG2 GLN A 811 -15.239 11.317 -6.308 1.00 0.00 H new ATOM 0 HG3 GLN A 811 -15.690 10.564 -4.791 1.00 0.00 H new ATOM 0 HE21 GLN A 811 -17.616 11.720 -4.566 1.00 0.00 H new ATOM 0 HE22 GLN A 811 -17.642 13.447 -4.195 1.00 0.00 H new ATOM 520 N SER A 812 -11.004 8.914 -4.338 1.00 0.00 N ATOM 521 CA SER A 812 -9.597 8.838 -3.963 1.00 0.00 C ATOM 522 C SER A 812 -8.714 8.686 -5.198 1.00 0.00 C ATOM 523 O SER A 812 -8.907 7.777 -6.005 1.00 0.00 O ATOM 524 CB SER A 812 -9.365 7.665 -3.009 1.00 0.00 C ATOM 525 OG SER A 812 -9.883 7.946 -1.720 1.00 0.00 O ATOM 0 H SER A 812 -11.503 8.026 -4.284 1.00 0.00 H new ATOM 0 HA SER A 812 -9.330 9.766 -3.458 1.00 0.00 H new ATOM 0 HB2 SER A 812 -9.840 6.768 -3.408 1.00 0.00 H new ATOM 0 HB3 SER A 812 -8.298 7.456 -2.938 1.00 0.00 H new ATOM 0 HG SER A 812 -9.212 7.723 -1.042 1.00 0.00 H new ATOM 531 N ARG A 813 -7.744 9.584 -5.337 1.00 0.00 N ATOM 532 CA ARG A 813 -6.831 9.552 -6.473 1.00 0.00 C ATOM 533 C ARG A 813 -5.515 8.879 -6.095 1.00 0.00 C ATOM 534 O ARG A 813 -5.078 8.950 -4.946 1.00 0.00 O ATOM 535 CB ARG A 813 -6.563 10.971 -6.980 1.00 0.00 C ATOM 536 CG ARG A 813 -7.665 11.516 -7.873 1.00 0.00 C ATOM 537 CD ARG A 813 -7.435 11.146 -9.330 1.00 0.00 C ATOM 538 NE ARG A 813 -7.961 9.821 -9.648 1.00 0.00 N ATOM 539 CZ ARG A 813 -8.096 9.362 -10.887 1.00 0.00 C ATOM 540 NH1 ARG A 813 -7.744 10.116 -11.919 1.00 0.00 N ATOM 541 NH2 ARG A 813 -8.582 8.145 -11.095 1.00 0.00 N ATOM 0 H ARG A 813 -7.570 10.342 -4.677 1.00 0.00 H new ATOM 0 HA ARG A 813 -7.301 8.972 -7.267 1.00 0.00 H new ATOM 0 HB2 ARG A 813 -6.437 11.636 -6.125 1.00 0.00 H new ATOM 0 HB3 ARG A 813 -5.623 10.979 -7.531 1.00 0.00 H new ATOM 0 HG2 ARG A 813 -8.628 11.125 -7.545 1.00 0.00 H new ATOM 0 HG3 ARG A 813 -7.711 12.601 -7.775 1.00 0.00 H new ATOM 0 HD2 ARG A 813 -7.910 11.888 -9.972 1.00 0.00 H new ATOM 0 HD3 ARG A 813 -6.367 11.174 -9.547 1.00 0.00 H new ATOM 0 HE ARG A 813 -8.240 9.215 -8.876 1.00 0.00 H new ATOM 0 HH11 ARG A 813 -7.368 11.051 -11.763 1.00 0.00 H new ATOM 0 HH12 ARG A 813 -7.849 9.761 -12.869 1.00 0.00 H new ATOM 0 HH21 ARG A 813 -8.852 7.562 -10.303 1.00 0.00 H new ATOM 0 HH22 ARG A 813 -8.686 7.793 -12.047 1.00 0.00 H new ATOM 555 N TRP A 814 -4.889 8.226 -7.067 1.00 0.00 N ATOM 556 CA TRP A 814 -3.623 7.540 -6.836 1.00 0.00 C ATOM 557 C TRP A 814 -2.531 8.529 -6.446 1.00 0.00 C ATOM 558 O TRP A 814 -2.069 8.540 -5.305 1.00 0.00 O ATOM 559 CB TRP A 814 -3.203 6.764 -8.085 1.00 0.00 C ATOM 560 CG TRP A 814 -1.810 6.218 -8.006 1.00 0.00 C ATOM 561 CD1 TRP A 814 -0.785 6.458 -8.875 1.00 0.00 C ATOM 562 CD2 TRP A 814 -1.290 5.339 -7.002 1.00 0.00 C ATOM 563 NE1 TRP A 814 0.341 5.780 -8.473 1.00 0.00 N ATOM 564 CE2 TRP A 814 0.057 5.088 -7.326 1.00 0.00 C ATOM 565 CE3 TRP A 814 -1.831 4.742 -5.860 1.00 0.00 C ATOM 566 CZ2 TRP A 814 0.868 4.264 -6.549 1.00 0.00 C ATOM 567 CZ3 TRP A 814 -1.026 3.925 -5.091 1.00 0.00 C ATOM 568 CH2 TRP A 814 0.312 3.692 -5.437 1.00 0.00 C ATOM 0 H TRP A 814 -5.237 8.157 -8.023 1.00 0.00 H new ATOM 0 HA TRP A 814 -3.764 6.840 -6.013 1.00 0.00 H new ATOM 0 HB2 TRP A 814 -3.900 5.941 -8.243 1.00 0.00 H new ATOM 0 HB3 TRP A 814 -3.280 7.418 -8.953 1.00 0.00 H new ATOM 0 HD1 TRP A 814 -0.849 7.088 -9.750 1.00 0.00 H new ATOM 0 HE1 TRP A 814 1.242 5.791 -8.951 1.00 0.00 H new ATOM 0 HE3 TRP A 814 -2.860 4.917 -5.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 814 1.899 4.083 -6.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 814 -1.435 3.457 -4.207 1.00 0.00 H new ATOM 0 HH2 TRP A 814 0.916 3.049 -4.814 1.00 0.00 H new ATOM 579 N SER A 815 -2.122 9.360 -7.400 1.00 0.00 N ATOM 580 CA SER A 815 -1.080 10.351 -7.156 1.00 0.00 C ATOM 581 C SER A 815 -1.150 10.871 -5.724 1.00 0.00 C ATOM 582 O SER A 815 -0.126 11.158 -5.104 1.00 0.00 O ATOM 583 CB SER A 815 -1.214 11.514 -8.140 1.00 0.00 C ATOM 584 OG SER A 815 -0.017 12.270 -8.203 1.00 0.00 O ATOM 0 H SER A 815 -2.496 9.367 -8.349 1.00 0.00 H new ATOM 0 HA SER A 815 -0.113 9.870 -7.302 1.00 0.00 H new ATOM 0 HB2 SER A 815 -1.458 11.130 -9.131 1.00 0.00 H new ATOM 0 HB3 SER A 815 -2.039 12.158 -7.836 1.00 0.00 H new ATOM 0 HG SER A 815 -0.128 13.006 -8.840 1.00 0.00 H new ATOM 590 N LYS A 816 -2.367 10.991 -5.203 1.00 0.00 N ATOM 591 CA LYS A 816 -2.573 11.475 -3.843 1.00 0.00 C ATOM 592 C LYS A 816 -2.196 10.407 -2.822 1.00 0.00 C ATOM 593 O LYS A 816 -1.325 10.621 -1.978 1.00 0.00 O ATOM 594 CB LYS A 816 -4.032 11.893 -3.645 1.00 0.00 C ATOM 595 CG LYS A 816 -4.409 13.161 -4.391 1.00 0.00 C ATOM 596 CD LYS A 816 -4.013 14.404 -3.613 1.00 0.00 C ATOM 597 CE LYS A 816 -4.179 15.663 -4.450 1.00 0.00 C ATOM 598 NZ LYS A 816 -3.292 16.763 -3.981 1.00 0.00 N ATOM 0 H LYS A 816 -3.226 10.760 -5.703 1.00 0.00 H new ATOM 0 HA LYS A 816 -1.929 12.341 -3.690 1.00 0.00 H new ATOM 0 HB2 LYS A 816 -4.681 11.082 -3.974 1.00 0.00 H new ATOM 0 HB3 LYS A 816 -4.218 12.039 -2.581 1.00 0.00 H new ATOM 0 HG2 LYS A 816 -3.921 13.170 -5.366 1.00 0.00 H new ATOM 0 HG3 LYS A 816 -5.484 13.171 -4.573 1.00 0.00 H new ATOM 0 HD2 LYS A 816 -4.624 14.481 -2.713 1.00 0.00 H new ATOM 0 HD3 LYS A 816 -2.976 14.316 -3.288 1.00 0.00 H new ATOM 0 HE2 LYS A 816 -3.957 15.437 -5.493 1.00 0.00 H new ATOM 0 HE3 LYS A 816 -5.217 15.992 -4.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 816 -3.435 17.603 -4.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 816 -3.521 16.996 -2.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 816 -2.299 16.459 -4.044 1.00 0.00 H new ATOM 612 N VAL A 817 -2.855 9.256 -2.905 1.00 0.00 N ATOM 613 CA VAL A 817 -2.587 8.153 -1.989 1.00 0.00 C ATOM 614 C VAL A 817 -1.105 7.796 -1.979 1.00 0.00 C ATOM 615 O VAL A 817 -0.515 7.576 -0.921 1.00 0.00 O ATOM 616 CB VAL A 817 -3.403 6.902 -2.364 1.00 0.00 C ATOM 617 CG1 VAL A 817 -2.656 6.065 -3.392 1.00 0.00 C ATOM 618 CG2 VAL A 817 -3.717 6.080 -1.122 1.00 0.00 C ATOM 0 H VAL A 817 -3.579 9.063 -3.597 1.00 0.00 H new ATOM 0 HA VAL A 817 -2.884 8.487 -0.995 1.00 0.00 H new ATOM 0 HB VAL A 817 -4.345 7.223 -2.808 1.00 0.00 H new ATOM 0 HG11 VAL A 817 -3.248 5.185 -3.645 1.00 0.00 H new ATOM 0 HG12 VAL A 817 -2.486 6.658 -4.290 1.00 0.00 H new ATOM 0 HG13 VAL A 817 -1.698 5.751 -2.978 1.00 0.00 H new ATOM 0 HG21 VAL A 817 -4.294 5.200 -1.405 1.00 0.00 H new ATOM 0 HG22 VAL A 817 -2.787 5.767 -0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 817 -4.295 6.684 -0.423 1.00 0.00 H new ATOM 628 N LYS A 818 -0.507 7.741 -3.165 1.00 0.00 N ATOM 629 CA LYS A 818 0.908 7.412 -3.294 1.00 0.00 C ATOM 630 C LYS A 818 1.780 8.527 -2.726 1.00 0.00 C ATOM 631 O LYS A 818 2.828 8.268 -2.134 1.00 0.00 O ATOM 632 CB LYS A 818 1.264 7.169 -4.763 1.00 0.00 C ATOM 633 CG LYS A 818 1.738 8.417 -5.487 1.00 0.00 C ATOM 634 CD LYS A 818 1.728 8.224 -6.995 1.00 0.00 C ATOM 635 CE LYS A 818 2.930 7.416 -7.461 1.00 0.00 C ATOM 636 NZ LYS A 818 4.194 8.197 -7.365 1.00 0.00 N ATOM 0 H LYS A 818 -0.981 7.920 -4.050 1.00 0.00 H new ATOM 0 HA LYS A 818 1.097 6.502 -2.725 1.00 0.00 H new ATOM 0 HB2 LYS A 818 2.043 6.409 -4.819 1.00 0.00 H new ATOM 0 HB3 LYS A 818 0.391 6.769 -5.279 1.00 0.00 H new ATOM 0 HG2 LYS A 818 1.097 9.258 -5.223 1.00 0.00 H new ATOM 0 HG3 LYS A 818 2.746 8.669 -5.158 1.00 0.00 H new ATOM 0 HD2 LYS A 818 0.810 7.717 -7.292 1.00 0.00 H new ATOM 0 HD3 LYS A 818 1.729 9.196 -7.487 1.00 0.00 H new ATOM 0 HE2 LYS A 818 3.015 6.512 -6.859 1.00 0.00 H new ATOM 0 HE3 LYS A 818 2.777 7.099 -8.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 818 4.938 7.723 -7.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 818 4.040 9.154 -7.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 818 4.488 8.260 -6.369 1.00 0.00 H new ATOM 650 N ASP A 819 1.339 9.767 -2.909 1.00 0.00 N ATOM 651 CA ASP A 819 2.078 10.922 -2.412 1.00 0.00 C ATOM 652 C ASP A 819 1.942 11.044 -0.898 1.00 0.00 C ATOM 653 O ASP A 819 2.851 11.522 -0.218 1.00 0.00 O ATOM 654 CB ASP A 819 1.581 12.201 -3.087 1.00 0.00 C ATOM 655 CG ASP A 819 2.403 13.416 -2.703 1.00 0.00 C ATOM 656 OD1 ASP A 819 2.263 13.888 -1.555 1.00 0.00 O ATOM 657 OD2 ASP A 819 3.186 13.894 -3.550 1.00 0.00 O ATOM 0 H ASP A 819 0.474 9.998 -3.398 1.00 0.00 H new ATOM 0 HA ASP A 819 3.131 10.780 -2.653 1.00 0.00 H new ATOM 0 HB2 ASP A 819 1.611 12.073 -4.169 1.00 0.00 H new ATOM 0 HB3 ASP A 819 0.539 12.370 -2.815 1.00 0.00 H new ATOM 662 N LYS A 820 0.800 10.611 -0.375 1.00 0.00 N ATOM 663 CA LYS A 820 0.543 10.671 1.059 1.00 0.00 C ATOM 664 C LYS A 820 1.209 9.504 1.781 1.00 0.00 C ATOM 665 O LYS A 820 1.635 9.632 2.929 1.00 0.00 O ATOM 666 CB LYS A 820 -0.963 10.658 1.329 1.00 0.00 C ATOM 667 CG LYS A 820 -1.316 10.616 2.806 1.00 0.00 C ATOM 668 CD LYS A 820 -1.356 12.010 3.409 1.00 0.00 C ATOM 669 CE LYS A 820 -1.560 11.960 4.916 1.00 0.00 C ATOM 670 NZ LYS A 820 -0.347 11.465 5.623 1.00 0.00 N ATOM 0 H LYS A 820 0.037 10.214 -0.923 1.00 0.00 H new ATOM 0 HA LYS A 820 0.967 11.600 1.440 1.00 0.00 H new ATOM 0 HB2 LYS A 820 -1.411 11.545 0.882 1.00 0.00 H new ATOM 0 HB3 LYS A 820 -1.405 9.793 0.834 1.00 0.00 H new ATOM 0 HG2 LYS A 820 -2.285 10.134 2.936 1.00 0.00 H new ATOM 0 HG3 LYS A 820 -0.584 10.009 3.339 1.00 0.00 H new ATOM 0 HD2 LYS A 820 -0.426 12.532 3.184 1.00 0.00 H new ATOM 0 HD3 LYS A 820 -2.162 12.583 2.950 1.00 0.00 H new ATOM 0 HE2 LYS A 820 -1.813 12.955 5.282 1.00 0.00 H new ATOM 0 HE3 LYS A 820 -2.405 11.311 5.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 820 -0.454 11.619 6.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 820 -0.227 10.449 5.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 820 0.489 11.981 5.281 1.00 0.00 H new ATOM 684 N VAL A 821 1.298 8.365 1.100 1.00 0.00 N ATOM 685 CA VAL A 821 1.915 7.176 1.675 1.00 0.00 C ATOM 686 C VAL A 821 3.433 7.224 1.538 1.00 0.00 C ATOM 687 O VAL A 821 4.157 6.670 2.364 1.00 0.00 O ATOM 688 CB VAL A 821 1.390 5.892 1.006 1.00 0.00 C ATOM 689 CG1 VAL A 821 -0.112 5.761 1.206 1.00 0.00 C ATOM 690 CG2 VAL A 821 1.742 5.881 -0.474 1.00 0.00 C ATOM 0 H VAL A 821 0.950 8.241 0.149 1.00 0.00 H new ATOM 0 HA VAL A 821 1.649 7.161 2.732 1.00 0.00 H new ATOM 0 HB VAL A 821 1.871 5.035 1.477 1.00 0.00 H new ATOM 0 HG11 VAL A 821 -0.465 4.848 0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 821 -0.335 5.720 2.272 1.00 0.00 H new ATOM 0 HG13 VAL A 821 -0.614 6.621 0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 821 1.364 4.967 -0.931 1.00 0.00 H new ATOM 0 HG22 VAL A 821 1.290 6.745 -0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 821 2.825 5.924 -0.591 1.00 0.00 H new ATOM 700 N GLU A 822 3.906 7.890 0.489 1.00 0.00 N ATOM 701 CA GLU A 822 5.339 8.009 0.244 1.00 0.00 C ATOM 702 C GLU A 822 6.105 8.146 1.556 1.00 0.00 C ATOM 703 O GLU A 822 7.260 7.732 1.659 1.00 0.00 O ATOM 704 CB GLU A 822 5.626 9.213 -0.655 1.00 0.00 C ATOM 705 CG GLU A 822 5.740 10.525 0.102 1.00 0.00 C ATOM 706 CD GLU A 822 6.178 11.675 -0.785 1.00 0.00 C ATOM 707 OE1 GLU A 822 5.732 11.727 -1.950 1.00 0.00 O ATOM 708 OE2 GLU A 822 6.966 12.521 -0.314 1.00 0.00 O ATOM 0 H GLU A 822 3.319 8.355 -0.204 1.00 0.00 H new ATOM 0 HA GLU A 822 5.673 7.101 -0.259 1.00 0.00 H new ATOM 0 HB2 GLU A 822 6.553 9.036 -1.200 1.00 0.00 H new ATOM 0 HB3 GLU A 822 4.832 9.299 -1.397 1.00 0.00 H new ATOM 0 HG2 GLU A 822 4.777 10.765 0.552 1.00 0.00 H new ATOM 0 HG3 GLU A 822 6.453 10.408 0.918 1.00 0.00 H new ATOM 715 N SER A 823 5.454 8.729 2.557 1.00 0.00 N ATOM 716 CA SER A 823 6.075 8.925 3.862 1.00 0.00 C ATOM 717 C SER A 823 5.942 7.671 4.721 1.00 0.00 C ATOM 718 O SER A 823 5.876 7.750 5.948 1.00 0.00 O ATOM 719 CB SER A 823 5.439 10.118 4.579 1.00 0.00 C ATOM 720 OG SER A 823 5.865 11.343 4.007 1.00 0.00 O ATOM 0 H SER A 823 4.497 9.074 2.490 1.00 0.00 H new ATOM 0 HA SER A 823 7.135 9.127 3.706 1.00 0.00 H new ATOM 0 HB2 SER A 823 4.353 10.044 4.521 1.00 0.00 H new ATOM 0 HB3 SER A 823 5.704 10.095 5.636 1.00 0.00 H new ATOM 0 HG SER A 823 5.443 12.090 4.481 1.00 0.00 H new ATOM 726 N ASP A 824 5.904 6.516 4.067 1.00 0.00 N ATOM 727 CA ASP A 824 5.781 5.244 4.769 1.00 0.00 C ATOM 728 C ASP A 824 6.666 4.180 4.127 1.00 0.00 C ATOM 729 O ASP A 824 6.786 4.092 2.905 1.00 0.00 O ATOM 730 CB ASP A 824 4.324 4.778 4.772 1.00 0.00 C ATOM 731 CG ASP A 824 4.048 3.744 5.846 1.00 0.00 C ATOM 732 OD1 ASP A 824 4.388 2.561 5.633 1.00 0.00 O ATOM 733 OD2 ASP A 824 3.494 4.118 6.900 1.00 0.00 O ATOM 0 H ASP A 824 5.957 6.434 3.052 1.00 0.00 H new ATOM 0 HA ASP A 824 6.110 5.392 5.798 1.00 0.00 H new ATOM 0 HB2 ASP A 824 3.671 5.638 4.923 1.00 0.00 H new ATOM 0 HB3 ASP A 824 4.078 4.359 3.796 1.00 0.00 H new ATOM 738 N PRO A 825 7.304 3.354 4.970 1.00 0.00 N ATOM 739 CA PRO A 825 8.191 2.282 4.507 1.00 0.00 C ATOM 740 C PRO A 825 7.428 1.153 3.822 1.00 0.00 C ATOM 741 O PRO A 825 7.975 0.445 2.977 1.00 0.00 O ATOM 742 CB PRO A 825 8.844 1.780 5.797 1.00 0.00 C ATOM 743 CG PRO A 825 7.871 2.124 6.872 1.00 0.00 C ATOM 744 CD PRO A 825 7.209 3.402 6.438 1.00 0.00 C ATOM 0 HA PRO A 825 8.904 2.636 3.762 1.00 0.00 H new ATOM 0 HB2 PRO A 825 9.026 0.706 5.757 1.00 0.00 H new ATOM 0 HB3 PRO A 825 9.808 2.261 5.966 1.00 0.00 H new ATOM 0 HG2 PRO A 825 7.137 1.329 7.003 1.00 0.00 H new ATOM 0 HG3 PRO A 825 8.376 2.252 7.829 1.00 0.00 H new ATOM 0 HD2 PRO A 825 6.173 3.451 6.772 1.00 0.00 H new ATOM 0 HD3 PRO A 825 7.717 4.276 6.845 1.00 0.00 H new ATOM 752 N ARG A 826 6.162 0.992 4.192 1.00 0.00 N ATOM 753 CA ARG A 826 5.324 -0.052 3.614 1.00 0.00 C ATOM 754 C ARG A 826 5.116 0.184 2.121 1.00 0.00 C ATOM 755 O ARG A 826 4.971 -0.763 1.347 1.00 0.00 O ATOM 756 CB ARG A 826 3.971 -0.103 4.326 1.00 0.00 C ATOM 757 CG ARG A 826 4.069 -0.499 5.790 1.00 0.00 C ATOM 758 CD ARG A 826 2.739 -0.318 6.506 1.00 0.00 C ATOM 759 NE ARG A 826 2.577 1.039 7.023 1.00 0.00 N ATOM 760 CZ ARG A 826 1.702 1.365 7.968 1.00 0.00 C ATOM 761 NH1 ARG A 826 0.915 0.438 8.497 1.00 0.00 N ATOM 762 NH2 ARG A 826 1.613 2.621 8.386 1.00 0.00 N ATOM 0 H ARG A 826 5.694 1.571 4.889 1.00 0.00 H new ATOM 0 HA ARG A 826 5.833 -1.007 3.747 1.00 0.00 H new ATOM 0 HB2 ARG A 826 3.495 0.875 4.254 1.00 0.00 H new ATOM 0 HB3 ARG A 826 3.324 -0.812 3.809 1.00 0.00 H new ATOM 0 HG2 ARG A 826 4.386 -1.539 5.866 1.00 0.00 H new ATOM 0 HG3 ARG A 826 4.833 0.104 6.281 1.00 0.00 H new ATOM 0 HD2 ARG A 826 1.924 -0.544 5.819 1.00 0.00 H new ATOM 0 HD3 ARG A 826 2.670 -1.030 7.328 1.00 0.00 H new ATOM 0 HE ARG A 826 3.168 1.776 6.638 1.00 0.00 H new ATOM 0 HH11 ARG A 826 0.980 -0.529 8.179 1.00 0.00 H new ATOM 0 HH12 ARG A 826 0.244 0.692 9.222 1.00 0.00 H new ATOM 0 HH21 ARG A 826 2.217 3.337 7.982 1.00 0.00 H new ATOM 0 HH22 ARG A 826 0.941 2.871 9.112 1.00 0.00 H new ATOM 776 N TYR A 827 5.101 1.451 1.723 1.00 0.00 N ATOM 777 CA TYR A 827 4.908 1.811 0.324 1.00 0.00 C ATOM 778 C TYR A 827 6.104 1.381 -0.520 1.00 0.00 C ATOM 779 O TYR A 827 5.993 1.208 -1.734 1.00 0.00 O ATOM 780 CB TYR A 827 4.690 3.319 0.189 1.00 0.00 C ATOM 781 CG TYR A 827 4.957 3.847 -1.203 1.00 0.00 C ATOM 782 CD1 TYR A 827 6.253 4.107 -1.632 1.00 0.00 C ATOM 783 CD2 TYR A 827 3.913 4.086 -2.088 1.00 0.00 C ATOM 784 CE1 TYR A 827 6.501 4.590 -2.902 1.00 0.00 C ATOM 785 CE2 TYR A 827 4.152 4.568 -3.361 1.00 0.00 C ATOM 786 CZ TYR A 827 5.447 4.819 -3.763 1.00 0.00 C ATOM 787 OH TYR A 827 5.690 5.299 -5.029 1.00 0.00 O ATOM 0 H TYR A 827 5.220 2.246 2.350 1.00 0.00 H new ATOM 0 HA TYR A 827 4.023 1.289 -0.040 1.00 0.00 H new ATOM 0 HB2 TYR A 827 3.663 3.556 0.468 1.00 0.00 H new ATOM 0 HB3 TYR A 827 5.339 3.836 0.896 1.00 0.00 H new ATOM 0 HD1 TYR A 827 7.080 3.928 -0.961 1.00 0.00 H new ATOM 0 HD2 TYR A 827 2.897 3.892 -1.776 1.00 0.00 H new ATOM 0 HE1 TYR A 827 7.514 4.787 -3.220 1.00 0.00 H new ATOM 0 HE2 TYR A 827 3.329 4.747 -4.037 1.00 0.00 H new ATOM 0 HH TYR A 827 6.568 4.988 -5.334 1.00 0.00 H new ATOM 797 N LYS A 828 7.249 1.210 0.133 1.00 0.00 N ATOM 798 CA LYS A 828 8.467 0.798 -0.554 1.00 0.00 C ATOM 799 C LYS A 828 8.463 -0.704 -0.817 1.00 0.00 C ATOM 800 O LYS A 828 9.235 -1.203 -1.634 1.00 0.00 O ATOM 801 CB LYS A 828 9.697 1.178 0.274 1.00 0.00 C ATOM 802 CG LYS A 828 9.903 2.677 0.406 1.00 0.00 C ATOM 803 CD LYS A 828 10.742 3.019 1.626 1.00 0.00 C ATOM 804 CE LYS A 828 12.214 2.719 1.392 1.00 0.00 C ATOM 805 NZ LYS A 828 12.833 3.686 0.442 1.00 0.00 N ATOM 0 H LYS A 828 7.358 1.351 1.137 1.00 0.00 H new ATOM 0 HA LYS A 828 8.506 1.316 -1.512 1.00 0.00 H new ATOM 0 HB2 LYS A 828 9.603 0.744 1.269 1.00 0.00 H new ATOM 0 HB3 LYS A 828 10.583 0.737 -0.183 1.00 0.00 H new ATOM 0 HG2 LYS A 828 10.391 3.059 -0.491 1.00 0.00 H new ATOM 0 HG3 LYS A 828 8.935 3.173 0.478 1.00 0.00 H new ATOM 0 HD2 LYS A 828 10.619 4.074 1.869 1.00 0.00 H new ATOM 0 HD3 LYS A 828 10.386 2.450 2.485 1.00 0.00 H new ATOM 0 HE2 LYS A 828 12.747 2.752 2.342 1.00 0.00 H new ATOM 0 HE3 LYS A 828 12.321 1.707 1.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 828 13.869 3.615 0.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 828 12.524 3.467 -0.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 828 12.538 4.652 0.689 1.00 0.00 H new ATOM 819 N ALA A 829 7.586 -1.420 -0.120 1.00 0.00 N ATOM 820 CA ALA A 829 7.478 -2.864 -0.282 1.00 0.00 C ATOM 821 C ALA A 829 7.257 -3.239 -1.743 1.00 0.00 C ATOM 822 O ALA A 829 7.935 -4.116 -2.279 1.00 0.00 O ATOM 823 CB ALA A 829 6.349 -3.409 0.581 1.00 0.00 C ATOM 0 H ALA A 829 6.940 -1.023 0.562 1.00 0.00 H new ATOM 0 HA ALA A 829 8.418 -3.311 0.042 1.00 0.00 H new ATOM 0 HB1 ALA A 829 6.280 -4.489 0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 829 6.550 -3.183 1.628 1.00 0.00 H new ATOM 0 HB3 ALA A 829 5.408 -2.946 0.284 1.00 0.00 H new ATOM 829 N VAL A 830 6.305 -2.568 -2.384 1.00 0.00 N ATOM 830 CA VAL A 830 5.995 -2.830 -3.784 1.00 0.00 C ATOM 831 C VAL A 830 7.051 -2.226 -4.703 1.00 0.00 C ATOM 832 O VAL A 830 7.499 -1.099 -4.494 1.00 0.00 O ATOM 833 CB VAL A 830 4.614 -2.268 -4.168 1.00 0.00 C ATOM 834 CG1 VAL A 830 4.190 -2.780 -5.536 1.00 0.00 C ATOM 835 CG2 VAL A 830 3.580 -2.627 -3.112 1.00 0.00 C ATOM 0 H VAL A 830 5.735 -1.839 -1.955 1.00 0.00 H new ATOM 0 HA VAL A 830 5.985 -3.913 -3.909 1.00 0.00 H new ATOM 0 HB VAL A 830 4.685 -1.182 -4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 830 3.212 -2.372 -5.790 1.00 0.00 H new ATOM 0 HG12 VAL A 830 4.919 -2.467 -6.284 1.00 0.00 H new ATOM 0 HG13 VAL A 830 4.135 -3.868 -5.516 1.00 0.00 H new ATOM 0 HG21 VAL A 830 2.610 -2.222 -3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 830 3.509 -3.711 -3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 830 3.879 -2.206 -2.152 1.00 0.00 H new ATOM 845 N ASP A 831 7.444 -2.983 -5.721 1.00 0.00 N ATOM 846 CA ASP A 831 8.447 -2.522 -6.674 1.00 0.00 C ATOM 847 C ASP A 831 7.832 -2.323 -8.056 1.00 0.00 C ATOM 848 O ASP A 831 8.228 -1.425 -8.799 1.00 0.00 O ATOM 849 CB ASP A 831 9.602 -3.521 -6.755 1.00 0.00 C ATOM 850 CG ASP A 831 10.230 -3.791 -5.402 1.00 0.00 C ATOM 851 OD1 ASP A 831 11.086 -2.988 -4.974 1.00 0.00 O ATOM 852 OD2 ASP A 831 9.865 -4.804 -4.770 1.00 0.00 O ATOM 0 H ASP A 831 7.083 -3.919 -5.908 1.00 0.00 H new ATOM 0 HA ASP A 831 8.831 -1.563 -6.325 1.00 0.00 H new ATOM 0 HB2 ASP A 831 9.239 -4.458 -7.177 1.00 0.00 H new ATOM 0 HB3 ASP A 831 10.363 -3.138 -7.435 1.00 0.00 H new ATOM 857 N SER A 832 6.864 -3.168 -8.395 1.00 0.00 N ATOM 858 CA SER A 832 6.197 -3.088 -9.689 1.00 0.00 C ATOM 859 C SER A 832 5.115 -2.013 -9.678 1.00 0.00 C ATOM 860 O SER A 832 4.103 -2.143 -8.990 1.00 0.00 O ATOM 861 CB SER A 832 5.585 -4.441 -10.055 1.00 0.00 C ATOM 862 OG SER A 832 6.551 -5.476 -9.980 1.00 0.00 O ATOM 0 H SER A 832 6.524 -3.916 -7.791 1.00 0.00 H new ATOM 0 HA SER A 832 6.942 -2.820 -10.438 1.00 0.00 H new ATOM 0 HB2 SER A 832 4.757 -4.663 -9.382 1.00 0.00 H new ATOM 0 HB3 SER A 832 5.173 -4.396 -11.063 1.00 0.00 H new ATOM 0 HG SER A 832 6.134 -6.331 -10.217 1.00 0.00 H new ATOM 868 N SER A 833 5.337 -0.951 -10.446 1.00 0.00 N ATOM 869 CA SER A 833 4.383 0.149 -10.522 1.00 0.00 C ATOM 870 C SER A 833 2.992 -0.362 -10.887 1.00 0.00 C ATOM 871 O SER A 833 1.995 0.034 -10.283 1.00 0.00 O ATOM 872 CB SER A 833 4.845 1.183 -11.551 1.00 0.00 C ATOM 873 OG SER A 833 4.969 0.602 -12.838 1.00 0.00 O ATOM 0 H SER A 833 6.169 -0.829 -11.024 1.00 0.00 H new ATOM 0 HA SER A 833 4.332 0.621 -9.541 1.00 0.00 H new ATOM 0 HB2 SER A 833 4.133 2.007 -11.588 1.00 0.00 H new ATOM 0 HB3 SER A 833 5.803 1.603 -11.244 1.00 0.00 H new ATOM 0 HG SER A 833 5.264 1.284 -13.478 1.00 0.00 H new ATOM 879 N SER A 834 2.934 -1.243 -11.881 1.00 0.00 N ATOM 880 CA SER A 834 1.667 -1.806 -12.331 1.00 0.00 C ATOM 881 C SER A 834 0.818 -2.250 -11.143 1.00 0.00 C ATOM 882 O SER A 834 -0.393 -2.034 -11.117 1.00 0.00 O ATOM 883 CB SER A 834 1.914 -2.990 -13.267 1.00 0.00 C ATOM 884 OG SER A 834 0.702 -3.656 -13.578 1.00 0.00 O ATOM 0 H SER A 834 3.750 -1.582 -12.390 1.00 0.00 H new ATOM 0 HA SER A 834 1.125 -1.031 -12.873 1.00 0.00 H new ATOM 0 HB2 SER A 834 2.386 -2.640 -14.185 1.00 0.00 H new ATOM 0 HB3 SER A 834 2.607 -3.689 -12.799 1.00 0.00 H new ATOM 0 HG SER A 834 0.887 -4.408 -14.179 1.00 0.00 H new ATOM 890 N MET A 835 1.464 -2.873 -10.163 1.00 0.00 N ATOM 891 CA MET A 835 0.769 -3.347 -8.971 1.00 0.00 C ATOM 892 C MET A 835 0.295 -2.176 -8.116 1.00 0.00 C ATOM 893 O MET A 835 -0.798 -2.212 -7.549 1.00 0.00 O ATOM 894 CB MET A 835 1.685 -4.256 -8.149 1.00 0.00 C ATOM 895 CG MET A 835 2.244 -5.429 -8.937 1.00 0.00 C ATOM 896 SD MET A 835 0.988 -6.661 -9.334 1.00 0.00 S ATOM 897 CE MET A 835 0.439 -7.126 -7.694 1.00 0.00 C ATOM 0 H MET A 835 2.466 -3.061 -10.170 1.00 0.00 H new ATOM 0 HA MET A 835 -0.104 -3.916 -9.292 1.00 0.00 H new ATOM 0 HB2 MET A 835 2.513 -3.665 -7.757 1.00 0.00 H new ATOM 0 HB3 MET A 835 1.131 -4.637 -7.291 1.00 0.00 H new ATOM 0 HG2 MET A 835 2.691 -5.061 -9.860 1.00 0.00 H new ATOM 0 HG3 MET A 835 3.041 -5.901 -8.363 1.00 0.00 H new ATOM 0 HE1 MET A 835 -0.024 -8.112 -7.731 1.00 0.00 H new ATOM 0 HE2 MET A 835 1.294 -7.152 -7.018 1.00 0.00 H new ATOM 0 HE3 MET A 835 -0.287 -6.397 -7.333 1.00 0.00 H new ATOM 907 N ARG A 836 1.122 -1.140 -8.028 1.00 0.00 N ATOM 908 CA ARG A 836 0.787 0.041 -7.241 1.00 0.00 C ATOM 909 C ARG A 836 -0.565 0.610 -7.663 1.00 0.00 C ATOM 910 O ARG A 836 -1.474 0.745 -6.846 1.00 0.00 O ATOM 911 CB ARG A 836 1.872 1.108 -7.395 1.00 0.00 C ATOM 912 CG ARG A 836 3.244 0.653 -6.925 1.00 0.00 C ATOM 913 CD ARG A 836 3.461 0.967 -5.453 1.00 0.00 C ATOM 914 NE ARG A 836 4.868 1.209 -5.146 1.00 0.00 N ATOM 915 CZ ARG A 836 5.553 2.249 -5.610 1.00 0.00 C ATOM 916 NH1 ARG A 836 4.963 3.138 -6.397 1.00 0.00 N ATOM 917 NH2 ARG A 836 6.830 2.401 -5.286 1.00 0.00 N ATOM 0 H ARG A 836 2.029 -1.094 -8.492 1.00 0.00 H new ATOM 0 HA ARG A 836 0.726 -0.256 -6.194 1.00 0.00 H new ATOM 0 HB2 ARG A 836 1.935 1.402 -8.443 1.00 0.00 H new ATOM 0 HB3 ARG A 836 1.580 1.995 -6.833 1.00 0.00 H new ATOM 0 HG2 ARG A 836 3.349 -0.420 -7.089 1.00 0.00 H new ATOM 0 HG3 ARG A 836 4.015 1.143 -7.520 1.00 0.00 H new ATOM 0 HD2 ARG A 836 2.874 1.844 -5.179 1.00 0.00 H new ATOM 0 HD3 ARG A 836 3.096 0.137 -4.848 1.00 0.00 H new ATOM 0 HE ARG A 836 5.351 0.544 -4.543 1.00 0.00 H new ATOM 0 HH11 ARG A 836 3.981 3.025 -6.648 1.00 0.00 H new ATOM 0 HH12 ARG A 836 5.491 3.935 -6.752 1.00 0.00 H new ATOM 0 HH21 ARG A 836 7.287 1.719 -4.680 1.00 0.00 H new ATOM 0 HH22 ARG A 836 7.355 3.199 -5.643 1.00 0.00 H new ATOM 931 N GLU A 837 -0.687 0.942 -8.945 1.00 0.00 N ATOM 932 CA GLU A 837 -1.927 1.498 -9.474 1.00 0.00 C ATOM 933 C GLU A 837 -3.052 0.469 -9.417 1.00 0.00 C ATOM 934 O GLU A 837 -4.109 0.719 -8.837 1.00 0.00 O ATOM 935 CB GLU A 837 -1.725 1.971 -10.915 1.00 0.00 C ATOM 936 CG GLU A 837 -1.052 3.328 -11.022 1.00 0.00 C ATOM 937 CD GLU A 837 0.461 3.232 -11.002 1.00 0.00 C ATOM 938 OE1 GLU A 837 1.028 3.035 -9.907 1.00 0.00 O ATOM 939 OE2 GLU A 837 1.078 3.354 -12.081 1.00 0.00 O ATOM 0 H GLU A 837 0.057 0.836 -9.635 1.00 0.00 H new ATOM 0 HA GLU A 837 -2.207 2.351 -8.855 1.00 0.00 H new ATOM 0 HB2 GLU A 837 -1.125 1.234 -11.449 1.00 0.00 H new ATOM 0 HB3 GLU A 837 -2.694 2.015 -11.413 1.00 0.00 H new ATOM 0 HG2 GLU A 837 -1.369 3.815 -11.944 1.00 0.00 H new ATOM 0 HG3 GLU A 837 -1.383 3.960 -10.198 1.00 0.00 H new ATOM 946 N ASP A 838 -2.818 -0.689 -10.025 1.00 0.00 N ATOM 947 CA ASP A 838 -3.811 -1.757 -10.044 1.00 0.00 C ATOM 948 C ASP A 838 -4.383 -1.992 -8.650 1.00 0.00 C ATOM 949 O ASP A 838 -5.590 -1.872 -8.434 1.00 0.00 O ATOM 950 CB ASP A 838 -3.191 -3.049 -10.579 1.00 0.00 C ATOM 951 CG ASP A 838 -4.235 -4.029 -11.079 1.00 0.00 C ATOM 952 OD1 ASP A 838 -5.255 -3.574 -11.638 1.00 0.00 O ATOM 953 OD2 ASP A 838 -4.032 -5.250 -10.910 1.00 0.00 O ATOM 0 H ASP A 838 -1.949 -0.912 -10.511 1.00 0.00 H new ATOM 0 HA ASP A 838 -4.624 -1.453 -10.704 1.00 0.00 H new ATOM 0 HB2 ASP A 838 -2.503 -2.810 -11.390 1.00 0.00 H new ATOM 0 HB3 ASP A 838 -2.603 -3.520 -9.791 1.00 0.00 H new ATOM 958 N LEU A 839 -3.510 -2.330 -7.707 1.00 0.00 N ATOM 959 CA LEU A 839 -3.928 -2.583 -6.332 1.00 0.00 C ATOM 960 C LEU A 839 -4.792 -1.441 -5.807 1.00 0.00 C ATOM 961 O LEU A 839 -5.918 -1.657 -5.358 1.00 0.00 O ATOM 962 CB LEU A 839 -2.705 -2.768 -5.432 1.00 0.00 C ATOM 963 CG LEU A 839 -2.017 -4.132 -5.507 1.00 0.00 C ATOM 964 CD1 LEU A 839 -0.711 -4.114 -4.728 1.00 0.00 C ATOM 965 CD2 LEU A 839 -2.939 -5.223 -4.982 1.00 0.00 C ATOM 0 H LEU A 839 -2.508 -2.435 -7.869 1.00 0.00 H new ATOM 0 HA LEU A 839 -4.521 -3.498 -6.321 1.00 0.00 H new ATOM 0 HB2 LEU A 839 -1.974 -2.000 -5.684 1.00 0.00 H new ATOM 0 HB3 LEU A 839 -3.008 -2.593 -4.400 1.00 0.00 H new ATOM 0 HG LEU A 839 -1.790 -4.347 -6.551 1.00 0.00 H new ATOM 0 HD11 LEU A 839 -0.235 -5.093 -4.792 1.00 0.00 H new ATOM 0 HD12 LEU A 839 -0.047 -3.359 -5.149 1.00 0.00 H new ATOM 0 HD13 LEU A 839 -0.914 -3.877 -3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 839 -2.434 -6.187 -5.043 1.00 0.00 H new ATOM 0 HD22 LEU A 839 -3.197 -5.013 -3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 839 -3.848 -5.252 -5.583 1.00 0.00 H new ATOM 977 N PHE A 840 -4.258 -0.226 -5.867 1.00 0.00 N ATOM 978 CA PHE A 840 -4.981 0.951 -5.398 1.00 0.00 C ATOM 979 C PHE A 840 -6.359 1.037 -6.048 1.00 0.00 C ATOM 980 O PHE A 840 -7.384 0.971 -5.368 1.00 0.00 O ATOM 981 CB PHE A 840 -4.182 2.220 -5.700 1.00 0.00 C ATOM 982 CG PHE A 840 -4.900 3.485 -5.323 1.00 0.00 C ATOM 983 CD1 PHE A 840 -5.249 3.731 -4.005 1.00 0.00 C ATOM 984 CD2 PHE A 840 -5.225 4.426 -6.286 1.00 0.00 C ATOM 985 CE1 PHE A 840 -5.909 4.894 -3.654 1.00 0.00 C ATOM 986 CE2 PHE A 840 -5.885 5.590 -5.941 1.00 0.00 C ATOM 987 CZ PHE A 840 -6.229 5.824 -4.624 1.00 0.00 C ATOM 0 H PHE A 840 -3.327 -0.030 -6.236 1.00 0.00 H new ATOM 0 HA PHE A 840 -5.112 0.861 -4.320 1.00 0.00 H new ATOM 0 HB2 PHE A 840 -3.233 2.178 -5.166 1.00 0.00 H new ATOM 0 HB3 PHE A 840 -3.948 2.248 -6.764 1.00 0.00 H new ATOM 0 HD1 PHE A 840 -5.003 3.006 -3.243 1.00 0.00 H new ATOM 0 HD2 PHE A 840 -4.960 4.248 -7.318 1.00 0.00 H new ATOM 0 HE1 PHE A 840 -6.174 5.075 -2.623 1.00 0.00 H new ATOM 0 HE2 PHE A 840 -6.132 6.317 -6.701 1.00 0.00 H new ATOM 0 HZ PHE A 840 -6.747 6.732 -4.353 1.00 0.00 H new ATOM 997 N LYS A 841 -6.376 1.187 -7.368 1.00 0.00 N ATOM 998 CA LYS A 841 -7.626 1.282 -8.112 1.00 0.00 C ATOM 999 C LYS A 841 -8.580 0.159 -7.718 1.00 0.00 C ATOM 1000 O LYS A 841 -9.779 0.381 -7.552 1.00 0.00 O ATOM 1001 CB LYS A 841 -7.354 1.229 -9.617 1.00 0.00 C ATOM 1002 CG LYS A 841 -6.845 2.541 -10.189 1.00 0.00 C ATOM 1003 CD LYS A 841 -6.597 2.438 -11.684 1.00 0.00 C ATOM 1004 CE LYS A 841 -5.536 3.427 -12.142 1.00 0.00 C ATOM 1005 NZ LYS A 841 -5.374 3.420 -13.623 1.00 0.00 N ATOM 0 H LYS A 841 -5.537 1.245 -7.945 1.00 0.00 H new ATOM 0 HA LYS A 841 -8.093 2.236 -7.867 1.00 0.00 H new ATOM 0 HB2 LYS A 841 -6.623 0.446 -9.818 1.00 0.00 H new ATOM 0 HB3 LYS A 841 -8.272 0.948 -10.134 1.00 0.00 H new ATOM 0 HG2 LYS A 841 -7.571 3.330 -9.993 1.00 0.00 H new ATOM 0 HG3 LYS A 841 -5.921 2.825 -9.685 1.00 0.00 H new ATOM 0 HD2 LYS A 841 -6.283 1.424 -11.933 1.00 0.00 H new ATOM 0 HD3 LYS A 841 -7.526 2.625 -12.222 1.00 0.00 H new ATOM 0 HE2 LYS A 841 -5.807 4.430 -11.811 1.00 0.00 H new ATOM 0 HE3 LYS A 841 -4.584 3.182 -11.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 -4.642 4.107 -13.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 -5.091 2.470 -13.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 -6.276 3.678 -14.072 1.00 0.00 H new ATOM 1019 N GLN A 842 -8.039 -1.046 -7.568 1.00 0.00 N ATOM 1020 CA GLN A 842 -8.844 -2.203 -7.192 1.00 0.00 C ATOM 1021 C GLN A 842 -9.618 -1.933 -5.906 1.00 0.00 C ATOM 1022 O GLN A 842 -10.847 -2.002 -5.884 1.00 0.00 O ATOM 1023 CB GLN A 842 -7.954 -3.434 -7.017 1.00 0.00 C ATOM 1024 CG GLN A 842 -7.636 -4.147 -8.322 1.00 0.00 C ATOM 1025 CD GLN A 842 -6.906 -5.458 -8.108 1.00 0.00 C ATOM 1026 OE1 GLN A 842 -7.427 -6.376 -7.475 1.00 0.00 O ATOM 1027 NE2 GLN A 842 -5.691 -5.551 -8.636 1.00 0.00 N ATOM 0 H GLN A 842 -7.048 -1.247 -7.701 1.00 0.00 H new ATOM 0 HA GLN A 842 -9.560 -2.392 -7.992 1.00 0.00 H new ATOM 0 HB2 GLN A 842 -7.021 -3.132 -6.541 1.00 0.00 H new ATOM 0 HB3 GLN A 842 -8.445 -4.134 -6.341 1.00 0.00 H new ATOM 0 HG2 GLN A 842 -8.563 -4.336 -8.864 1.00 0.00 H new ATOM 0 HG3 GLN A 842 -7.028 -3.495 -8.949 1.00 0.00 H new ATOM 0 HE21 GLN A 842 -5.298 -4.765 -9.153 1.00 0.00 H new ATOM 0 HE22 GLN A 842 -5.151 -6.409 -8.524 1.00 0.00 H new ATOM 1036 N TYR A 843 -8.892 -1.626 -4.837 1.00 0.00 N ATOM 1037 CA TYR A 843 -9.510 -1.349 -3.547 1.00 0.00 C ATOM 1038 C TYR A 843 -10.623 -0.315 -3.687 1.00 0.00 C ATOM 1039 O TYR A 843 -11.767 -0.562 -3.303 1.00 0.00 O ATOM 1040 CB TYR A 843 -8.460 -0.853 -2.551 1.00 0.00 C ATOM 1041 CG TYR A 843 -8.881 -0.998 -1.105 1.00 0.00 C ATOM 1042 CD1 TYR A 843 -9.646 -0.018 -0.483 1.00 0.00 C ATOM 1043 CD2 TYR A 843 -8.514 -2.112 -0.362 1.00 0.00 C ATOM 1044 CE1 TYR A 843 -10.032 -0.146 0.838 1.00 0.00 C ATOM 1045 CE2 TYR A 843 -8.896 -2.249 0.958 1.00 0.00 C ATOM 1046 CZ TYR A 843 -9.655 -1.263 1.553 1.00 0.00 C ATOM 1047 OH TYR A 843 -10.037 -1.394 2.869 1.00 0.00 O ATOM 0 H TYR A 843 -7.874 -1.563 -4.839 1.00 0.00 H new ATOM 0 HA TYR A 843 -9.945 -2.276 -3.174 1.00 0.00 H new ATOM 0 HB2 TYR A 843 -7.533 -1.405 -2.708 1.00 0.00 H new ATOM 0 HB3 TYR A 843 -8.245 0.196 -2.755 1.00 0.00 H new ATOM 0 HD1 TYR A 843 -9.944 0.858 -1.041 1.00 0.00 H new ATOM 0 HD2 TYR A 843 -7.919 -2.885 -0.825 1.00 0.00 H new ATOM 0 HE1 TYR A 843 -10.626 0.625 1.307 1.00 0.00 H new ATOM 0 HE2 TYR A 843 -8.602 -3.123 1.521 1.00 0.00 H new ATOM 0 HH TYR A 843 -9.691 -2.238 3.228 1.00 0.00 H new ATOM 1057 N ILE A 844 -10.279 0.844 -4.239 1.00 0.00 N ATOM 1058 CA ILE A 844 -11.248 1.915 -4.432 1.00 0.00 C ATOM 1059 C ILE A 844 -12.521 1.393 -5.090 1.00 0.00 C ATOM 1060 O ILE A 844 -13.624 1.609 -4.587 1.00 0.00 O ATOM 1061 CB ILE A 844 -10.667 3.051 -5.295 1.00 0.00 C ATOM 1062 CG1 ILE A 844 -9.418 3.637 -4.632 1.00 0.00 C ATOM 1063 CG2 ILE A 844 -11.712 4.134 -5.518 1.00 0.00 C ATOM 1064 CD1 ILE A 844 -9.490 3.657 -3.121 1.00 0.00 C ATOM 0 H ILE A 844 -9.336 1.065 -4.560 1.00 0.00 H new ATOM 0 HA ILE A 844 -11.487 2.306 -3.443 1.00 0.00 H new ATOM 0 HB ILE A 844 -10.383 2.642 -6.265 1.00 0.00 H new ATOM 0 HG12 ILE A 844 -8.548 3.057 -4.939 1.00 0.00 H new ATOM 0 HG13 ILE A 844 -9.267 4.654 -4.994 1.00 0.00 H new ATOM 0 HG21 ILE A 844 -11.287 4.930 -6.129 1.00 0.00 H new ATOM 0 HG22 ILE A 844 -12.576 3.707 -6.028 1.00 0.00 H new ATOM 0 HG23 ILE A 844 -12.024 4.542 -4.557 1.00 0.00 H new ATOM 0 HD11 ILE A 844 -8.572 4.085 -2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 844 -10.341 4.261 -2.805 1.00 0.00 H new ATOM 0 HD13 ILE A 844 -9.610 2.639 -2.749 1.00 0.00 H new ATOM 1076 N GLU A 845 -12.360 0.704 -6.215 1.00 0.00 N ATOM 1077 CA GLU A 845 -13.497 0.150 -6.940 1.00 0.00 C ATOM 1078 C GLU A 845 -14.411 -0.634 -6.003 1.00 0.00 C ATOM 1079 O GLU A 845 -15.635 -0.539 -6.086 1.00 0.00 O ATOM 1080 CB GLU A 845 -13.014 -0.755 -8.075 1.00 0.00 C ATOM 1081 CG GLU A 845 -14.005 -0.876 -9.221 1.00 0.00 C ATOM 1082 CD GLU A 845 -13.545 -1.848 -10.290 1.00 0.00 C ATOM 1083 OE1 GLU A 845 -13.835 -3.056 -10.159 1.00 0.00 O ATOM 1084 OE2 GLU A 845 -12.896 -1.401 -11.259 1.00 0.00 O ATOM 0 H GLU A 845 -11.454 0.516 -6.644 1.00 0.00 H new ATOM 0 HA GLU A 845 -14.065 0.979 -7.362 1.00 0.00 H new ATOM 0 HB2 GLU A 845 -12.071 -0.368 -8.461 1.00 0.00 H new ATOM 0 HB3 GLU A 845 -12.811 -1.748 -7.675 1.00 0.00 H new ATOM 0 HG2 GLU A 845 -14.969 -1.201 -8.830 1.00 0.00 H new ATOM 0 HG3 GLU A 845 -14.158 0.106 -9.669 1.00 0.00 H new ATOM 1091 N LYS A 846 -13.806 -1.411 -5.110 1.00 0.00 N ATOM 1092 CA LYS A 846 -14.562 -2.213 -4.156 1.00 0.00 C ATOM 1093 C LYS A 846 -15.381 -1.323 -3.226 1.00 0.00 C ATOM 1094 O LYS A 846 -16.522 -1.642 -2.892 1.00 0.00 O ATOM 1095 CB LYS A 846 -13.617 -3.093 -3.335 1.00 0.00 C ATOM 1096 CG LYS A 846 -14.239 -4.405 -2.891 1.00 0.00 C ATOM 1097 CD LYS A 846 -14.008 -5.506 -3.912 1.00 0.00 C ATOM 1098 CE LYS A 846 -14.388 -6.870 -3.357 1.00 0.00 C ATOM 1099 NZ LYS A 846 -13.365 -7.387 -2.408 1.00 0.00 N ATOM 0 H LYS A 846 -12.793 -1.502 -5.028 1.00 0.00 H new ATOM 0 HA LYS A 846 -15.246 -2.850 -4.717 1.00 0.00 H new ATOM 0 HB2 LYS A 846 -12.726 -3.305 -3.926 1.00 0.00 H new ATOM 0 HB3 LYS A 846 -13.291 -2.539 -2.455 1.00 0.00 H new ATOM 0 HG2 LYS A 846 -13.816 -4.703 -1.932 1.00 0.00 H new ATOM 0 HG3 LYS A 846 -15.310 -4.268 -2.739 1.00 0.00 H new ATOM 0 HD2 LYS A 846 -14.593 -5.301 -4.808 1.00 0.00 H new ATOM 0 HD3 LYS A 846 -12.960 -5.513 -4.210 1.00 0.00 H new ATOM 0 HE2 LYS A 846 -15.351 -6.801 -2.851 1.00 0.00 H new ATOM 0 HE3 LYS A 846 -14.510 -7.575 -4.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 846 -13.600 -8.365 -2.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 846 -12.429 -7.366 -2.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 846 -13.350 -6.792 -1.555 1.00 0.00 H new ATOM 1113 N ILE A 847 -14.791 -0.206 -2.813 1.00 0.00 N ATOM 1114 CA ILE A 847 -15.468 0.731 -1.924 1.00 0.00 C ATOM 1115 C ILE A 847 -16.699 1.332 -2.593 1.00 0.00 C ATOM 1116 O ILE A 847 -17.824 1.140 -2.134 1.00 0.00 O ATOM 1117 CB ILE A 847 -14.528 1.870 -1.486 1.00 0.00 C ATOM 1118 CG1 ILE A 847 -13.285 1.299 -0.800 1.00 0.00 C ATOM 1119 CG2 ILE A 847 -15.257 2.831 -0.559 1.00 0.00 C ATOM 1120 CD1 ILE A 847 -12.264 2.351 -0.427 1.00 0.00 C ATOM 0 H ILE A 847 -13.847 0.072 -3.079 1.00 0.00 H new ATOM 0 HA ILE A 847 -15.775 0.166 -1.044 1.00 0.00 H new ATOM 0 HB ILE A 847 -14.211 2.421 -2.372 1.00 0.00 H new ATOM 0 HG12 ILE A 847 -13.590 0.765 0.100 1.00 0.00 H new ATOM 0 HG13 ILE A 847 -12.818 0.569 -1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 847 -14.580 3.630 -0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 847 -16.114 3.258 -1.079 1.00 0.00 H new ATOM 0 HG23 ILE A 847 -15.600 2.294 0.325 1.00 0.00 H new ATOM 0 HD11 ILE A 847 -11.410 1.875 0.055 1.00 0.00 H new ATOM 0 HD12 ILE A 847 -11.931 2.869 -1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 847 -12.714 3.068 0.259 1.00 0.00 H new ATOM 1132 N ALA A 848 -16.477 2.060 -3.683 1.00 0.00 N ATOM 1133 CA ALA A 848 -17.569 2.686 -4.418 1.00 0.00 C ATOM 1134 C ALA A 848 -18.575 1.646 -4.900 1.00 0.00 C ATOM 1135 O ALA A 848 -19.785 1.830 -4.769 1.00 0.00 O ATOM 1136 CB ALA A 848 -17.024 3.481 -5.596 1.00 0.00 C ATOM 0 H ALA A 848 -15.551 2.230 -4.076 1.00 0.00 H new ATOM 0 HA ALA A 848 -18.086 3.366 -3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 848 -17.850 3.943 -6.136 1.00 0.00 H new ATOM 0 HB2 ALA A 848 -16.350 4.256 -5.231 1.00 0.00 H new ATOM 0 HB3 ALA A 848 -16.481 2.814 -6.265 1.00 0.00 H new