USER MOD reduce.3.24.130724 H: found=0, std=0, add=464, rem=0, adj=17 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 -50:sc= 1.12 USER MOD Set 1.2: A 805 ASN : amide:sc= -2.62! C(o=-1.5!,f=-3!) USER MOD Single : A 794 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 796 LYS NZ :NH3+ -159:sc= -0.119 (180deg=-0.606!) USER MOD Single : A 797 SER OG : rot 180:sc= 0 USER MOD Single : A 806 HIS : no HE2:sc= -0.857 X(o=-0.86,f=-1.2) USER MOD Single : A 807 HIS : no HD1:sc= -0.262 X(o=-0.26,f=-0.26) USER MOD Single : A 810 SER OG : rot 180:sc= -0.0523 USER MOD Single : A 811 GLN : amide:sc= -0.126 K(o=-0.13,f=-1.6!) USER MOD Single : A 812 SER OG : rot -125:sc= 0.958 USER MOD Single : A 815 SER OG : rot 180:sc= 0 USER MOD Single : A 816 LYS NZ :NH3+ -125:sc= -0.0762 (180deg=-0.506) USER MOD Single : A 818 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 820 LYS NZ :NH3+ 161:sc= -0.0351 (180deg=-0.276) USER MOD Single : A 823 SER OG : rot -45:sc= 0.748 USER MOD Single : A 827 TYR OH : rot 30:sc=-0.00419 USER MOD Single : A 828 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0303) USER MOD Single : A 832 SER OG : rot 180:sc= 0 USER MOD Single : A 833 SER OG : rot 180:sc= 0 USER MOD Single : A 834 SER OG : rot 180:sc= 0 USER MOD Single : A 835 MET CE :methyl -143:sc= -0.282 (180deg=-1.59) USER MOD Single : A 841 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 842 GLN : amide:sc= -0.37 X(o=-0.37,f=0) USER MOD Single : A 843 TYR OH : rot 180:sc= -0.173 USER MOD Single : A 846 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 208 N GLU A 793 1.846 -12.452 -2.079 1.00 0.00 N ATOM 209 CA GLU A 793 0.643 -12.324 -1.265 1.00 0.00 C ATOM 210 C GLU A 793 0.900 -11.436 -0.051 1.00 0.00 C ATOM 211 O GLU A 793 0.222 -10.428 0.151 1.00 0.00 O ATOM 212 CB GLU A 793 0.159 -13.702 -0.810 1.00 0.00 C ATOM 213 CG GLU A 793 -0.344 -14.577 -1.946 1.00 0.00 C ATOM 214 CD GLU A 793 -1.697 -14.134 -2.469 1.00 0.00 C ATOM 215 OE1 GLU A 793 -2.721 -14.546 -1.885 1.00 0.00 O ATOM 216 OE2 GLU A 793 -1.732 -13.377 -3.461 1.00 0.00 O ATOM 0 HA GLU A 793 -0.131 -11.859 -1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 793 0.976 -14.215 -0.302 1.00 0.00 H new ATOM 0 HB3 GLU A 793 -0.640 -13.574 -0.080 1.00 0.00 H new ATOM 0 HG2 GLU A 793 0.380 -14.560 -2.761 1.00 0.00 H new ATOM 0 HG3 GLU A 793 -0.412 -15.609 -1.602 1.00 0.00 H new ATOM 223 N LYS A 794 1.884 -11.818 0.756 1.00 0.00 N ATOM 224 CA LYS A 794 2.233 -11.059 1.951 1.00 0.00 C ATOM 225 C LYS A 794 2.385 -9.576 1.627 1.00 0.00 C ATOM 226 O LYS A 794 1.747 -8.727 2.250 1.00 0.00 O ATOM 227 CB LYS A 794 3.531 -11.594 2.559 1.00 0.00 C ATOM 228 CG LYS A 794 3.762 -11.145 3.992 1.00 0.00 C ATOM 229 CD LYS A 794 2.889 -11.918 4.966 1.00 0.00 C ATOM 230 CE LYS A 794 3.425 -13.321 5.203 1.00 0.00 C ATOM 231 NZ LYS A 794 4.521 -13.334 6.211 1.00 0.00 N ATOM 0 H LYS A 794 2.454 -12.650 0.604 1.00 0.00 H new ATOM 0 HA LYS A 794 1.426 -11.175 2.674 1.00 0.00 H new ATOM 0 HB2 LYS A 794 3.516 -12.683 2.526 1.00 0.00 H new ATOM 0 HB3 LYS A 794 4.371 -11.269 1.945 1.00 0.00 H new ATOM 0 HG2 LYS A 794 4.811 -11.284 4.253 1.00 0.00 H new ATOM 0 HG3 LYS A 794 3.550 -10.079 4.079 1.00 0.00 H new ATOM 0 HD2 LYS A 794 2.837 -11.382 5.914 1.00 0.00 H new ATOM 0 HD3 LYS A 794 1.872 -11.977 4.577 1.00 0.00 H new ATOM 0 HE2 LYS A 794 2.614 -13.967 5.540 1.00 0.00 H new ATOM 0 HE3 LYS A 794 3.792 -13.733 4.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 794 4.859 -14.309 6.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 794 5.306 -12.738 5.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 794 4.165 -12.965 7.116 1.00 0.00 H new ATOM 245 N ILE A 795 3.232 -9.271 0.650 1.00 0.00 N ATOM 246 CA ILE A 795 3.465 -7.891 0.243 1.00 0.00 C ATOM 247 C ILE A 795 2.154 -7.189 -0.094 1.00 0.00 C ATOM 248 O ILE A 795 1.849 -6.126 0.446 1.00 0.00 O ATOM 249 CB ILE A 795 4.404 -7.814 -0.975 1.00 0.00 C ATOM 250 CG1 ILE A 795 5.766 -8.422 -0.636 1.00 0.00 C ATOM 251 CG2 ILE A 795 4.561 -6.371 -1.432 1.00 0.00 C ATOM 252 CD1 ILE A 795 6.495 -8.980 -1.839 1.00 0.00 C ATOM 0 H ILE A 795 3.769 -9.962 0.125 1.00 0.00 H new ATOM 0 HA ILE A 795 3.937 -7.388 1.087 1.00 0.00 H new ATOM 0 HB ILE A 795 3.964 -8.388 -1.791 1.00 0.00 H new ATOM 0 HG12 ILE A 795 6.388 -7.660 -0.165 1.00 0.00 H new ATOM 0 HG13 ILE A 795 5.628 -9.218 0.096 1.00 0.00 H new ATOM 0 HG21 ILE A 795 5.228 -6.333 -2.294 1.00 0.00 H new ATOM 0 HG22 ILE A 795 3.586 -5.969 -1.709 1.00 0.00 H new ATOM 0 HG23 ILE A 795 4.982 -5.776 -0.621 1.00 0.00 H new ATOM 0 HD11 ILE A 795 7.453 -9.395 -1.524 1.00 0.00 H new ATOM 0 HD12 ILE A 795 5.893 -9.765 -2.298 1.00 0.00 H new ATOM 0 HD13 ILE A 795 6.665 -8.183 -2.563 1.00 0.00 H new ATOM 264 N LYS A 796 1.379 -7.792 -0.990 1.00 0.00 N ATOM 265 CA LYS A 796 0.098 -7.228 -1.398 1.00 0.00 C ATOM 266 C LYS A 796 -0.758 -6.887 -0.183 1.00 0.00 C ATOM 267 O LYS A 796 -1.440 -5.863 -0.160 1.00 0.00 O ATOM 268 CB LYS A 796 -0.649 -8.209 -2.303 1.00 0.00 C ATOM 269 CG LYS A 796 -1.726 -7.555 -3.151 1.00 0.00 C ATOM 270 CD LYS A 796 -2.206 -8.482 -4.256 1.00 0.00 C ATOM 271 CE LYS A 796 -3.381 -9.332 -3.800 1.00 0.00 C ATOM 272 NZ LYS A 796 -4.686 -8.671 -4.081 1.00 0.00 N ATOM 0 H LYS A 796 1.616 -8.672 -1.448 1.00 0.00 H new ATOM 0 HA LYS A 796 0.293 -6.310 -1.952 1.00 0.00 H new ATOM 0 HB2 LYS A 796 0.068 -8.703 -2.959 1.00 0.00 H new ATOM 0 HB3 LYS A 796 -1.104 -8.984 -1.687 1.00 0.00 H new ATOM 0 HG2 LYS A 796 -2.568 -7.275 -2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 796 -1.337 -6.636 -3.589 1.00 0.00 H new ATOM 0 HD2 LYS A 796 -2.498 -7.893 -5.125 1.00 0.00 H new ATOM 0 HD3 LYS A 796 -1.387 -9.130 -4.570 1.00 0.00 H new ATOM 0 HE2 LYS A 796 -3.347 -10.298 -4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 796 -3.295 -9.527 -2.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 796 -5.420 -9.077 -3.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 796 -4.605 -7.651 -3.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 796 -4.945 -8.824 -5.077 1.00 0.00 H new ATOM 286 N SER A 797 -0.716 -7.751 0.826 1.00 0.00 N ATOM 287 CA SER A 797 -1.491 -7.543 2.044 1.00 0.00 C ATOM 288 C SER A 797 -1.095 -6.234 2.722 1.00 0.00 C ATOM 289 O SER A 797 -1.944 -5.388 3.005 1.00 0.00 O ATOM 290 CB SER A 797 -1.287 -8.712 3.010 1.00 0.00 C ATOM 291 OG SER A 797 -1.977 -8.493 4.228 1.00 0.00 O ATOM 0 H SER A 797 -0.154 -8.602 0.824 1.00 0.00 H new ATOM 0 HA SER A 797 -2.544 -7.487 1.770 1.00 0.00 H new ATOM 0 HB2 SER A 797 -1.640 -9.635 2.549 1.00 0.00 H new ATOM 0 HB3 SER A 797 -0.223 -8.842 3.209 1.00 0.00 H new ATOM 0 HG SER A 797 -1.832 -9.255 4.828 1.00 0.00 H new ATOM 297 N ASP A 798 0.198 -6.076 2.978 1.00 0.00 N ATOM 298 CA ASP A 798 0.708 -4.870 3.621 1.00 0.00 C ATOM 299 C ASP A 798 0.214 -3.620 2.902 1.00 0.00 C ATOM 300 O ASP A 798 -0.247 -2.668 3.533 1.00 0.00 O ATOM 301 CB ASP A 798 2.237 -4.888 3.647 1.00 0.00 C ATOM 302 CG ASP A 798 2.788 -5.935 4.596 1.00 0.00 C ATOM 303 OD1 ASP A 798 2.066 -6.912 4.885 1.00 0.00 O ATOM 304 OD2 ASP A 798 3.941 -5.778 5.047 1.00 0.00 O ATOM 0 H ASP A 798 0.913 -6.767 2.751 1.00 0.00 H new ATOM 0 HA ASP A 798 0.335 -4.849 4.645 1.00 0.00 H new ATOM 0 HB2 ASP A 798 2.612 -5.080 2.642 1.00 0.00 H new ATOM 0 HB3 ASP A 798 2.604 -3.905 3.942 1.00 0.00 H new ATOM 309 N PHE A 799 0.314 -3.627 1.576 1.00 0.00 N ATOM 310 CA PHE A 799 -0.121 -2.493 0.770 1.00 0.00 C ATOM 311 C PHE A 799 -1.563 -2.114 1.097 1.00 0.00 C ATOM 312 O PHE A 799 -1.856 -0.964 1.422 1.00 0.00 O ATOM 313 CB PHE A 799 0.007 -2.819 -0.719 1.00 0.00 C ATOM 314 CG PHE A 799 0.023 -1.603 -1.600 1.00 0.00 C ATOM 315 CD1 PHE A 799 0.999 -0.631 -1.445 1.00 0.00 C ATOM 316 CD2 PHE A 799 -0.937 -1.431 -2.584 1.00 0.00 C ATOM 317 CE1 PHE A 799 1.015 0.490 -2.253 1.00 0.00 C ATOM 318 CE2 PHE A 799 -0.926 -0.312 -3.396 1.00 0.00 C ATOM 319 CZ PHE A 799 0.052 0.649 -3.231 1.00 0.00 C ATOM 0 H PHE A 799 0.693 -4.406 1.038 1.00 0.00 H new ATOM 0 HA PHE A 799 0.522 -1.645 1.006 1.00 0.00 H new ATOM 0 HB2 PHE A 799 0.923 -3.387 -0.881 1.00 0.00 H new ATOM 0 HB3 PHE A 799 -0.823 -3.461 -1.015 1.00 0.00 H new ATOM 0 HD1 PHE A 799 1.756 -0.751 -0.684 1.00 0.00 H new ATOM 0 HD2 PHE A 799 -1.703 -2.180 -2.718 1.00 0.00 H new ATOM 0 HE1 PHE A 799 1.780 1.241 -2.120 1.00 0.00 H new ATOM 0 HE2 PHE A 799 -1.681 -0.190 -4.158 1.00 0.00 H new ATOM 0 HZ PHE A 799 0.064 1.523 -3.865 1.00 0.00 H new ATOM 329 N PHE A 800 -2.460 -3.091 1.007 1.00 0.00 N ATOM 330 CA PHE A 800 -3.871 -2.861 1.291 1.00 0.00 C ATOM 331 C PHE A 800 -4.054 -2.244 2.674 1.00 0.00 C ATOM 332 O PHE A 800 -4.789 -1.271 2.838 1.00 0.00 O ATOM 333 CB PHE A 800 -4.652 -4.174 1.198 1.00 0.00 C ATOM 334 CG PHE A 800 -4.923 -4.612 -0.213 1.00 0.00 C ATOM 335 CD1 PHE A 800 -5.504 -3.744 -1.122 1.00 0.00 C ATOM 336 CD2 PHE A 800 -4.595 -5.893 -0.629 1.00 0.00 C ATOM 337 CE1 PHE A 800 -5.754 -4.144 -2.422 1.00 0.00 C ATOM 338 CE2 PHE A 800 -4.842 -6.298 -1.927 1.00 0.00 C ATOM 339 CZ PHE A 800 -5.424 -5.423 -2.824 1.00 0.00 C ATOM 0 H PHE A 800 -2.234 -4.049 0.740 1.00 0.00 H new ATOM 0 HA PHE A 800 -4.257 -2.163 0.548 1.00 0.00 H new ATOM 0 HB2 PHE A 800 -4.094 -4.957 1.712 1.00 0.00 H new ATOM 0 HB3 PHE A 800 -5.600 -4.061 1.723 1.00 0.00 H new ATOM 0 HD1 PHE A 800 -5.765 -2.743 -0.812 1.00 0.00 H new ATOM 0 HD2 PHE A 800 -4.142 -6.582 0.069 1.00 0.00 H new ATOM 0 HE1 PHE A 800 -6.207 -3.457 -3.122 1.00 0.00 H new ATOM 0 HE2 PHE A 800 -4.580 -7.298 -2.240 1.00 0.00 H new ATOM 0 HZ PHE A 800 -5.620 -5.739 -3.838 1.00 0.00 H new ATOM 349 N GLU A 801 -3.381 -2.819 3.666 1.00 0.00 N ATOM 350 CA GLU A 801 -3.471 -2.327 5.036 1.00 0.00 C ATOM 351 C GLU A 801 -3.282 -0.813 5.083 1.00 0.00 C ATOM 352 O GLU A 801 -4.143 -0.084 5.576 1.00 0.00 O ATOM 353 CB GLU A 801 -2.423 -3.010 5.917 1.00 0.00 C ATOM 354 CG GLU A 801 -2.675 -4.494 6.123 1.00 0.00 C ATOM 355 CD GLU A 801 -1.914 -5.056 7.308 1.00 0.00 C ATOM 356 OE1 GLU A 801 -2.012 -4.471 8.407 1.00 0.00 O ATOM 357 OE2 GLU A 801 -1.220 -6.080 7.137 1.00 0.00 O ATOM 0 H GLU A 801 -2.768 -3.625 3.547 1.00 0.00 H new ATOM 0 HA GLU A 801 -4.465 -2.565 5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 801 -1.439 -2.876 5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 801 -2.399 -2.516 6.888 1.00 0.00 H new ATOM 0 HG2 GLU A 801 -3.742 -4.661 6.269 1.00 0.00 H new ATOM 0 HG3 GLU A 801 -2.388 -5.036 5.222 1.00 0.00 H new ATOM 364 N LEU A 802 -2.150 -0.348 4.567 1.00 0.00 N ATOM 365 CA LEU A 802 -1.847 1.079 4.550 1.00 0.00 C ATOM 366 C LEU A 802 -2.987 1.871 3.919 1.00 0.00 C ATOM 367 O LEU A 802 -3.601 2.720 4.567 1.00 0.00 O ATOM 368 CB LEU A 802 -0.548 1.335 3.783 1.00 0.00 C ATOM 369 CG LEU A 802 -0.058 2.784 3.757 1.00 0.00 C ATOM 370 CD1 LEU A 802 0.436 3.205 5.132 1.00 0.00 C ATOM 371 CD2 LEU A 802 1.039 2.957 2.717 1.00 0.00 C ATOM 0 H LEU A 802 -1.427 -0.938 4.155 1.00 0.00 H new ATOM 0 HA LEU A 802 -1.726 1.412 5.581 1.00 0.00 H new ATOM 0 HB2 LEU A 802 0.236 0.715 4.219 1.00 0.00 H new ATOM 0 HB3 LEU A 802 -0.685 1.000 2.755 1.00 0.00 H new ATOM 0 HG LEU A 802 -0.895 3.426 3.483 1.00 0.00 H new ATOM 0 HD11 LEU A 802 0.781 4.238 5.094 1.00 0.00 H new ATOM 0 HD12 LEU A 802 -0.377 3.120 5.853 1.00 0.00 H new ATOM 0 HD13 LEU A 802 1.259 2.559 5.436 1.00 0.00 H new ATOM 0 HD21 LEU A 802 1.376 3.994 2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 802 1.877 2.304 2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 802 0.651 2.697 1.732 1.00 0.00 H new ATOM 383 N LEU A 803 -3.269 1.586 2.652 1.00 0.00 N ATOM 384 CA LEU A 803 -4.338 2.270 1.933 1.00 0.00 C ATOM 385 C LEU A 803 -5.575 2.423 2.813 1.00 0.00 C ATOM 386 O LEU A 803 -5.975 3.537 3.151 1.00 0.00 O ATOM 387 CB LEU A 803 -4.696 1.502 0.660 1.00 0.00 C ATOM 388 CG LEU A 803 -3.535 1.189 -0.284 1.00 0.00 C ATOM 389 CD1 LEU A 803 -3.992 0.272 -1.408 1.00 0.00 C ATOM 390 CD2 LEU A 803 -2.945 2.473 -0.848 1.00 0.00 C ATOM 0 H LEU A 803 -2.772 0.886 2.102 1.00 0.00 H new ATOM 0 HA LEU A 803 -3.982 3.264 1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 803 -5.168 0.562 0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 803 -5.440 2.077 0.110 1.00 0.00 H new ATOM 0 HG LEU A 803 -2.760 0.675 0.284 1.00 0.00 H new ATOM 0 HD11 LEU A 803 -3.152 0.061 -2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 803 -4.366 -0.661 -0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 803 -4.786 0.759 -1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 803 -2.120 2.231 -1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 803 -3.713 3.015 -1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 803 -2.579 3.095 -0.031 1.00 0.00 H new ATOM 402 N SER A 804 -6.174 1.296 3.184 1.00 0.00 N ATOM 403 CA SER A 804 -7.366 1.304 4.024 1.00 0.00 C ATOM 404 C SER A 804 -7.182 2.234 5.219 1.00 0.00 C ATOM 405 O SER A 804 -8.081 2.998 5.568 1.00 0.00 O ATOM 406 CB SER A 804 -7.684 -0.112 4.509 1.00 0.00 C ATOM 407 OG SER A 804 -6.820 -0.495 5.565 1.00 0.00 O ATOM 0 H SER A 804 -5.853 0.366 2.916 1.00 0.00 H new ATOM 0 HA SER A 804 -8.200 1.671 3.425 1.00 0.00 H new ATOM 0 HB2 SER A 804 -8.719 -0.160 4.846 1.00 0.00 H new ATOM 0 HB3 SER A 804 -7.585 -0.814 3.681 1.00 0.00 H new ATOM 0 HG SER A 804 -5.891 -0.317 5.309 1.00 0.00 H new ATOM 413 N ASN A 805 -6.010 2.163 5.841 1.00 0.00 N ATOM 414 CA ASN A 805 -5.707 2.998 6.998 1.00 0.00 C ATOM 415 C ASN A 805 -5.816 4.478 6.644 1.00 0.00 C ATOM 416 O ASN A 805 -6.114 5.312 7.500 1.00 0.00 O ATOM 417 CB ASN A 805 -4.302 2.690 7.521 1.00 0.00 C ATOM 418 CG ASN A 805 -4.114 1.220 7.841 1.00 0.00 C ATOM 419 OD1 ASN A 805 -5.082 0.466 7.939 1.00 0.00 O ATOM 420 ND2 ASN A 805 -2.863 0.806 8.006 1.00 0.00 N ATOM 0 H ASN A 805 -5.255 1.536 5.564 1.00 0.00 H new ATOM 0 HA ASN A 805 -6.435 2.774 7.777 1.00 0.00 H new ATOM 0 HB2 ASN A 805 -3.566 2.994 6.777 1.00 0.00 H new ATOM 0 HB3 ASN A 805 -4.113 3.281 8.417 1.00 0.00 H new ATOM 0 HD21 ASN A 805 -2.674 -0.173 8.223 1.00 0.00 H new ATOM 0 HD22 ASN A 805 -2.091 1.467 7.915 1.00 0.00 H new ATOM 427 N HIS A 806 -5.575 4.798 5.376 1.00 0.00 N ATOM 428 CA HIS A 806 -5.648 6.177 4.908 1.00 0.00 C ATOM 429 C HIS A 806 -7.087 6.565 4.581 1.00 0.00 C ATOM 430 O HIS A 806 -7.337 7.342 3.659 1.00 0.00 O ATOM 431 CB HIS A 806 -4.763 6.367 3.675 1.00 0.00 C ATOM 432 CG HIS A 806 -3.312 6.541 4.001 1.00 0.00 C ATOM 433 ND1 HIS A 806 -2.587 7.655 3.635 1.00 0.00 N ATOM 434 CD2 HIS A 806 -2.450 5.735 4.665 1.00 0.00 C ATOM 435 CE1 HIS A 806 -1.342 7.526 4.057 1.00 0.00 C ATOM 436 NE2 HIS A 806 -1.233 6.369 4.686 1.00 0.00 N ATOM 0 H HIS A 806 -5.328 4.121 4.655 1.00 0.00 H new ATOM 0 HA HIS A 806 -5.289 6.825 5.707 1.00 0.00 H new ATOM 0 HB2 HIS A 806 -4.879 5.505 3.018 1.00 0.00 H new ATOM 0 HB3 HIS A 806 -5.109 7.239 3.120 1.00 0.00 H new ATOM 0 HD1 HIS A 806 -2.955 8.454 3.119 1.00 0.00 H new ATOM 0 HD2 HIS A 806 -2.678 4.772 5.098 1.00 0.00 H new ATOM 0 HE1 HIS A 806 -0.548 8.244 3.913 1.00 0.00 H new ATOM 444 N HIS A 807 -8.029 6.017 5.341 1.00 0.00 N ATOM 445 CA HIS A 807 -9.444 6.305 5.132 1.00 0.00 C ATOM 446 C HIS A 807 -9.742 6.516 3.650 1.00 0.00 C ATOM 447 O HIS A 807 -10.290 7.547 3.257 1.00 0.00 O ATOM 448 CB HIS A 807 -9.857 7.543 5.928 1.00 0.00 C ATOM 449 CG HIS A 807 -11.336 7.782 5.940 1.00 0.00 C ATOM 450 ND1 HIS A 807 -11.911 8.960 5.516 1.00 0.00 N ATOM 451 CD2 HIS A 807 -12.358 6.984 6.328 1.00 0.00 C ATOM 452 CE1 HIS A 807 -13.224 8.878 5.643 1.00 0.00 C ATOM 453 NE2 HIS A 807 -13.521 7.688 6.133 1.00 0.00 N ATOM 0 H HIS A 807 -7.839 5.371 6.107 1.00 0.00 H new ATOM 0 HA HIS A 807 -10.020 5.448 5.482 1.00 0.00 H new ATOM 0 HB2 HIS A 807 -9.506 7.439 6.955 1.00 0.00 H new ATOM 0 HB3 HIS A 807 -9.359 8.417 5.508 1.00 0.00 H new ATOM 0 HD2 HIS A 807 -12.275 5.980 6.718 1.00 0.00 H new ATOM 0 HE1 HIS A 807 -13.933 9.652 5.389 1.00 0.00 H new ATOM 0 HE2 HIS A 807 -14.461 7.347 6.334 1.00 0.00 H new ATOM 461 N LEU A 808 -9.376 5.535 2.833 1.00 0.00 N ATOM 462 CA LEU A 808 -9.604 5.613 1.394 1.00 0.00 C ATOM 463 C LEU A 808 -11.011 6.117 1.092 1.00 0.00 C ATOM 464 O LEU A 808 -11.913 6.006 1.923 1.00 0.00 O ATOM 465 CB LEU A 808 -9.391 4.242 0.749 1.00 0.00 C ATOM 466 CG LEU A 808 -7.938 3.791 0.596 1.00 0.00 C ATOM 467 CD1 LEU A 808 -7.868 2.449 -0.116 1.00 0.00 C ATOM 468 CD2 LEU A 808 -7.130 4.838 -0.156 1.00 0.00 C ATOM 0 H LEU A 808 -8.920 4.676 3.142 1.00 0.00 H new ATOM 0 HA LEU A 808 -8.888 6.320 0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -9.921 3.497 1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -9.854 4.251 -0.238 1.00 0.00 H new ATOM 0 HG LEU A 808 -7.508 3.675 1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -6.826 2.144 -0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -8.411 1.702 0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -8.316 2.538 -1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -6.099 4.500 -0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -7.560 4.987 -1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 808 -7.152 5.779 0.394 1.00 0.00 H new ATOM 480 N ASP A 809 -11.193 6.668 -0.103 1.00 0.00 N ATOM 481 CA ASP A 809 -12.491 7.186 -0.517 1.00 0.00 C ATOM 482 C ASP A 809 -12.810 6.771 -1.950 1.00 0.00 C ATOM 483 O ASP A 809 -11.937 6.302 -2.680 1.00 0.00 O ATOM 484 CB ASP A 809 -12.518 8.711 -0.396 1.00 0.00 C ATOM 485 CG ASP A 809 -11.375 9.371 -1.141 1.00 0.00 C ATOM 486 OD1 ASP A 809 -10.304 9.568 -0.530 1.00 0.00 O ATOM 487 OD2 ASP A 809 -11.551 9.690 -2.335 1.00 0.00 O ATOM 0 H ASP A 809 -10.457 6.767 -0.802 1.00 0.00 H new ATOM 0 HA ASP A 809 -13.250 6.764 0.142 1.00 0.00 H new ATOM 0 HB2 ASP A 809 -13.465 9.087 -0.783 1.00 0.00 H new ATOM 0 HB3 ASP A 809 -12.471 8.990 0.657 1.00 0.00 H new ATOM 492 N SER A 810 -14.067 6.947 -2.346 1.00 0.00 N ATOM 493 CA SER A 810 -14.503 6.586 -3.690 1.00 0.00 C ATOM 494 C SER A 810 -13.727 7.373 -4.742 1.00 0.00 C ATOM 495 O SER A 810 -13.205 6.802 -5.699 1.00 0.00 O ATOM 496 CB SER A 810 -16.002 6.842 -3.849 1.00 0.00 C ATOM 497 OG SER A 810 -16.316 8.204 -3.610 1.00 0.00 O ATOM 0 H SER A 810 -14.801 7.337 -1.755 1.00 0.00 H new ATOM 0 HA SER A 810 -14.306 5.524 -3.836 1.00 0.00 H new ATOM 0 HB2 SER A 810 -16.317 6.564 -4.855 1.00 0.00 H new ATOM 0 HB3 SER A 810 -16.557 6.211 -3.156 1.00 0.00 H new ATOM 0 HG SER A 810 -17.280 8.342 -3.720 1.00 0.00 H new ATOM 503 N GLN A 811 -13.656 8.687 -4.556 1.00 0.00 N ATOM 504 CA GLN A 811 -12.945 9.553 -5.489 1.00 0.00 C ATOM 505 C GLN A 811 -11.469 9.659 -5.117 1.00 0.00 C ATOM 506 O GLN A 811 -10.827 10.678 -5.369 1.00 0.00 O ATOM 507 CB GLN A 811 -13.578 10.945 -5.509 1.00 0.00 C ATOM 508 CG GLN A 811 -15.059 10.935 -5.854 1.00 0.00 C ATOM 509 CD GLN A 811 -15.311 11.053 -7.345 1.00 0.00 C ATOM 510 OE1 GLN A 811 -14.518 11.647 -8.075 1.00 0.00 O ATOM 511 NE2 GLN A 811 -16.420 10.485 -7.804 1.00 0.00 N ATOM 0 H GLN A 811 -14.082 9.175 -3.768 1.00 0.00 H new ATOM 0 HA GLN A 811 -13.020 9.112 -6.483 1.00 0.00 H new ATOM 0 HB2 GLN A 811 -13.444 11.410 -4.532 1.00 0.00 H new ATOM 0 HB3 GLN A 811 -13.049 11.565 -6.233 1.00 0.00 H new ATOM 0 HG2 GLN A 811 -15.508 10.013 -5.485 1.00 0.00 H new ATOM 0 HG3 GLN A 811 -15.554 11.759 -5.339 1.00 0.00 H new ATOM 0 HE21 GLN A 811 -17.049 10.003 -7.162 1.00 0.00 H new ATOM 0 HE22 GLN A 811 -16.643 10.531 -8.798 1.00 0.00 H new ATOM 520 N SER A 812 -10.938 8.598 -4.516 1.00 0.00 N ATOM 521 CA SER A 812 -9.539 8.573 -4.106 1.00 0.00 C ATOM 522 C SER A 812 -8.616 8.680 -5.316 1.00 0.00 C ATOM 523 O SER A 812 -8.681 7.862 -6.234 1.00 0.00 O ATOM 524 CB SER A 812 -9.236 7.290 -3.330 1.00 0.00 C ATOM 525 OG SER A 812 -7.919 7.308 -2.808 1.00 0.00 O ATOM 0 H SER A 812 -11.456 7.745 -4.303 1.00 0.00 H new ATOM 0 HA SER A 812 -9.360 9.431 -3.458 1.00 0.00 H new ATOM 0 HB2 SER A 812 -9.952 7.176 -2.516 1.00 0.00 H new ATOM 0 HB3 SER A 812 -9.359 6.428 -3.985 1.00 0.00 H new ATOM 0 HG SER A 812 -7.439 6.506 -3.103 1.00 0.00 H new ATOM 531 N ARG A 813 -7.757 9.694 -5.309 1.00 0.00 N ATOM 532 CA ARG A 813 -6.821 9.909 -6.406 1.00 0.00 C ATOM 533 C ARG A 813 -5.475 9.254 -6.109 1.00 0.00 C ATOM 534 O ARG A 813 -4.850 9.533 -5.085 1.00 0.00 O ATOM 535 CB ARG A 813 -6.628 11.406 -6.654 1.00 0.00 C ATOM 536 CG ARG A 813 -5.866 11.719 -7.931 1.00 0.00 C ATOM 537 CD ARG A 813 -6.711 11.446 -9.165 1.00 0.00 C ATOM 538 NE ARG A 813 -5.972 11.693 -10.400 1.00 0.00 N ATOM 539 CZ ARG A 813 -5.634 12.906 -10.825 1.00 0.00 C ATOM 540 NH1 ARG A 813 -5.967 13.976 -10.116 1.00 0.00 N ATOM 541 NH2 ARG A 813 -4.961 13.049 -11.959 1.00 0.00 N ATOM 0 H ARG A 813 -7.690 10.379 -4.556 1.00 0.00 H new ATOM 0 HA ARG A 813 -7.239 9.450 -7.302 1.00 0.00 H new ATOM 0 HB2 ARG A 813 -7.605 11.887 -6.697 1.00 0.00 H new ATOM 0 HB3 ARG A 813 -6.096 11.840 -5.808 1.00 0.00 H new ATOM 0 HG2 ARG A 813 -5.557 12.764 -7.924 1.00 0.00 H new ATOM 0 HG3 ARG A 813 -4.958 11.118 -7.971 1.00 0.00 H new ATOM 0 HD2 ARG A 813 -7.053 10.411 -9.148 1.00 0.00 H new ATOM 0 HD3 ARG A 813 -7.600 12.076 -9.142 1.00 0.00 H new ATOM 0 HE ARG A 813 -5.700 10.890 -10.968 1.00 0.00 H new ATOM 0 HH11 ARG A 813 -6.483 13.869 -9.243 1.00 0.00 H new ATOM 0 HH12 ARG A 813 -5.707 14.906 -10.444 1.00 0.00 H new ATOM 0 HH21 ARG A 813 -4.702 12.228 -12.506 1.00 0.00 H new ATOM 0 HH22 ARG A 813 -4.702 13.980 -12.284 1.00 0.00 H new ATOM 555 N TRP A 814 -5.036 8.382 -7.009 1.00 0.00 N ATOM 556 CA TRP A 814 -3.764 7.687 -6.842 1.00 0.00 C ATOM 557 C TRP A 814 -2.642 8.671 -6.533 1.00 0.00 C ATOM 558 O TRP A 814 -1.933 8.525 -5.537 1.00 0.00 O ATOM 559 CB TRP A 814 -3.427 6.889 -8.103 1.00 0.00 C ATOM 560 CG TRP A 814 -2.052 6.294 -8.079 1.00 0.00 C ATOM 561 CD1 TRP A 814 -1.097 6.396 -9.050 1.00 0.00 C ATOM 562 CD2 TRP A 814 -1.480 5.501 -7.033 1.00 0.00 C ATOM 563 NE1 TRP A 814 0.035 5.716 -8.670 1.00 0.00 N ATOM 564 CE2 TRP A 814 -0.174 5.158 -7.436 1.00 0.00 C ATOM 565 CE3 TRP A 814 -1.942 5.050 -5.794 1.00 0.00 C ATOM 566 CZ2 TRP A 814 0.670 4.385 -6.644 1.00 0.00 C ATOM 567 CZ3 TRP A 814 -1.103 4.281 -5.009 1.00 0.00 C ATOM 568 CH2 TRP A 814 0.191 3.956 -5.436 1.00 0.00 C ATOM 0 H TRP A 814 -5.541 8.139 -7.861 1.00 0.00 H new ATOM 0 HA TRP A 814 -3.861 7.001 -6.001 1.00 0.00 H new ATOM 0 HB2 TRP A 814 -4.159 6.090 -8.225 1.00 0.00 H new ATOM 0 HB3 TRP A 814 -3.518 7.541 -8.972 1.00 0.00 H new ATOM 0 HD1 TRP A 814 -1.214 6.932 -9.980 1.00 0.00 H new ATOM 0 HE1 TRP A 814 0.892 5.639 -9.218 1.00 0.00 H new ATOM 0 HE3 TRP A 814 -2.937 5.298 -5.455 1.00 0.00 H new ATOM 0 HZ2 TRP A 814 1.668 4.133 -6.971 1.00 0.00 H new ATOM 0 HZ3 TRP A 814 -1.451 3.925 -4.051 1.00 0.00 H new ATOM 0 HH2 TRP A 814 0.823 3.355 -4.799 1.00 0.00 H new ATOM 579 N SER A 815 -2.487 9.674 -7.392 1.00 0.00 N ATOM 580 CA SER A 815 -1.448 10.681 -7.211 1.00 0.00 C ATOM 581 C SER A 815 -1.420 11.181 -5.770 1.00 0.00 C ATOM 582 O SER A 815 -0.354 11.416 -5.201 1.00 0.00 O ATOM 583 CB SER A 815 -1.673 11.854 -8.166 1.00 0.00 C ATOM 584 OG SER A 815 -0.536 12.698 -8.215 1.00 0.00 O ATOM 0 H SER A 815 -3.067 9.811 -8.220 1.00 0.00 H new ATOM 0 HA SER A 815 -0.486 10.219 -7.435 1.00 0.00 H new ATOM 0 HB2 SER A 815 -1.893 11.477 -9.165 1.00 0.00 H new ATOM 0 HB3 SER A 815 -2.542 12.428 -7.844 1.00 0.00 H new ATOM 0 HG SER A 815 -0.705 13.439 -8.834 1.00 0.00 H new ATOM 590 N LYS A 816 -2.602 11.342 -5.184 1.00 0.00 N ATOM 591 CA LYS A 816 -2.717 11.813 -3.809 1.00 0.00 C ATOM 592 C LYS A 816 -2.346 10.710 -2.823 1.00 0.00 C ATOM 593 O LYS A 816 -1.377 10.833 -2.074 1.00 0.00 O ATOM 594 CB LYS A 816 -4.141 12.301 -3.532 1.00 0.00 C ATOM 595 CG LYS A 816 -4.431 13.681 -4.097 1.00 0.00 C ATOM 596 CD LYS A 816 -4.069 14.776 -3.108 1.00 0.00 C ATOM 597 CE LYS A 816 -3.981 16.134 -3.787 1.00 0.00 C ATOM 598 NZ LYS A 816 -2.876 16.185 -4.783 1.00 0.00 N ATOM 0 H LYS A 816 -3.494 11.153 -5.641 1.00 0.00 H new ATOM 0 HA LYS A 816 -2.023 12.643 -3.677 1.00 0.00 H new ATOM 0 HB2 LYS A 816 -4.849 11.588 -3.955 1.00 0.00 H new ATOM 0 HB3 LYS A 816 -4.308 12.316 -2.455 1.00 0.00 H new ATOM 0 HG2 LYS A 816 -3.869 13.823 -5.020 1.00 0.00 H new ATOM 0 HG3 LYS A 816 -5.488 13.756 -4.353 1.00 0.00 H new ATOM 0 HD2 LYS A 816 -4.816 14.812 -2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 816 -3.115 14.541 -2.637 1.00 0.00 H new ATOM 0 HE2 LYS A 816 -4.927 16.354 -4.282 1.00 0.00 H new ATOM 0 HE3 LYS A 816 -3.827 16.907 -3.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 816 -2.247 16.983 -4.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 816 -2.335 15.298 -4.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 816 -3.273 16.310 -5.736 1.00 0.00 H new ATOM 612 N VAL A 817 -3.122 9.631 -2.830 1.00 0.00 N ATOM 613 CA VAL A 817 -2.874 8.504 -1.938 1.00 0.00 C ATOM 614 C VAL A 817 -1.405 8.096 -1.965 1.00 0.00 C ATOM 615 O VAL A 817 -0.863 7.618 -0.968 1.00 0.00 O ATOM 616 CB VAL A 817 -3.741 7.288 -2.314 1.00 0.00 C ATOM 617 CG1 VAL A 817 -3.024 6.416 -3.334 1.00 0.00 C ATOM 618 CG2 VAL A 817 -4.100 6.486 -1.073 1.00 0.00 C ATOM 0 H VAL A 817 -3.928 9.513 -3.444 1.00 0.00 H new ATOM 0 HA VAL A 817 -3.139 8.831 -0.933 1.00 0.00 H new ATOM 0 HB VAL A 817 -4.665 7.648 -2.766 1.00 0.00 H new ATOM 0 HG11 VAL A 817 -3.652 5.562 -3.588 1.00 0.00 H new ATOM 0 HG12 VAL A 817 -2.823 6.998 -4.233 1.00 0.00 H new ATOM 0 HG13 VAL A 817 -2.083 6.062 -2.913 1.00 0.00 H new ATOM 0 HG21 VAL A 817 -4.713 5.631 -1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 817 -3.188 6.135 -0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 817 -4.657 7.117 -0.380 1.00 0.00 H new ATOM 628 N LYS A 818 -0.765 8.287 -3.114 1.00 0.00 N ATOM 629 CA LYS A 818 0.643 7.941 -3.272 1.00 0.00 C ATOM 630 C LYS A 818 1.536 8.955 -2.565 1.00 0.00 C ATOM 631 O LYS A 818 2.429 8.584 -1.802 1.00 0.00 O ATOM 632 CB LYS A 818 1.008 7.872 -4.757 1.00 0.00 C ATOM 633 CG LYS A 818 2.361 7.234 -5.022 1.00 0.00 C ATOM 634 CD LYS A 818 2.554 6.928 -6.497 1.00 0.00 C ATOM 635 CE LYS A 818 3.184 8.101 -7.232 1.00 0.00 C ATOM 636 NZ LYS A 818 4.670 8.087 -7.129 1.00 0.00 N ATOM 0 H LYS A 818 -1.199 8.680 -3.949 1.00 0.00 H new ATOM 0 HA LYS A 818 0.804 6.963 -2.818 1.00 0.00 H new ATOM 0 HB2 LYS A 818 0.240 7.307 -5.285 1.00 0.00 H new ATOM 0 HB3 LYS A 818 1.004 8.880 -5.171 1.00 0.00 H new ATOM 0 HG2 LYS A 818 3.152 7.902 -4.682 1.00 0.00 H new ATOM 0 HG3 LYS A 818 2.450 6.314 -4.444 1.00 0.00 H new ATOM 0 HD2 LYS A 818 3.186 6.047 -6.607 1.00 0.00 H new ATOM 0 HD3 LYS A 818 1.591 6.689 -6.949 1.00 0.00 H new ATOM 0 HE2 LYS A 818 2.892 8.071 -8.282 1.00 0.00 H new ATOM 0 HE3 LYS A 818 2.800 9.035 -6.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 818 5.061 8.902 -7.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 818 4.949 8.142 -6.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 818 5.038 7.207 -7.544 1.00 0.00 H new ATOM 650 N ASP A 819 1.288 10.234 -2.821 1.00 0.00 N ATOM 651 CA ASP A 819 2.069 11.302 -2.206 1.00 0.00 C ATOM 652 C ASP A 819 1.825 11.356 -0.701 1.00 0.00 C ATOM 653 O ASP A 819 2.559 12.016 0.034 1.00 0.00 O ATOM 654 CB ASP A 819 1.719 12.649 -2.841 1.00 0.00 C ATOM 655 CG ASP A 819 2.583 12.963 -4.046 1.00 0.00 C ATOM 656 OD1 ASP A 819 3.798 13.183 -3.863 1.00 0.00 O ATOM 657 OD2 ASP A 819 2.044 12.990 -5.173 1.00 0.00 O ATOM 0 H ASP A 819 0.553 10.557 -3.450 1.00 0.00 H new ATOM 0 HA ASP A 819 3.125 11.092 -2.377 1.00 0.00 H new ATOM 0 HB2 ASP A 819 0.671 12.645 -3.140 1.00 0.00 H new ATOM 0 HB3 ASP A 819 1.835 13.439 -2.099 1.00 0.00 H new ATOM 662 N LYS A 820 0.788 10.658 -0.250 1.00 0.00 N ATOM 663 CA LYS A 820 0.446 10.626 1.167 1.00 0.00 C ATOM 664 C LYS A 820 1.108 9.439 1.860 1.00 0.00 C ATOM 665 O LYS A 820 1.527 9.535 3.013 1.00 0.00 O ATOM 666 CB LYS A 820 -1.072 10.551 1.345 1.00 0.00 C ATOM 667 CG LYS A 820 -1.744 11.912 1.416 1.00 0.00 C ATOM 668 CD LYS A 820 -3.018 11.862 2.243 1.00 0.00 C ATOM 669 CE LYS A 820 -3.956 13.006 1.890 1.00 0.00 C ATOM 670 NZ LYS A 820 -4.555 12.835 0.537 1.00 0.00 N ATOM 0 H LYS A 820 0.170 10.107 -0.845 1.00 0.00 H new ATOM 0 HA LYS A 820 0.815 11.544 1.625 1.00 0.00 H new ATOM 0 HB2 LYS A 820 -1.499 9.987 0.516 1.00 0.00 H new ATOM 0 HB3 LYS A 820 -1.296 9.997 2.256 1.00 0.00 H new ATOM 0 HG2 LYS A 820 -1.055 12.637 1.850 1.00 0.00 H new ATOM 0 HG3 LYS A 820 -1.976 12.257 0.409 1.00 0.00 H new ATOM 0 HD2 LYS A 820 -3.524 10.911 2.077 1.00 0.00 H new ATOM 0 HD3 LYS A 820 -2.767 11.909 3.303 1.00 0.00 H new ATOM 0 HE2 LYS A 820 -4.750 13.067 2.634 1.00 0.00 H new ATOM 0 HE3 LYS A 820 -3.410 13.949 1.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 820 -5.405 13.429 0.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 820 -3.864 13.119 -0.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 820 -4.814 11.838 0.396 1.00 0.00 H new ATOM 684 N VAL A 821 1.201 8.320 1.148 1.00 0.00 N ATOM 685 CA VAL A 821 1.815 7.116 1.693 1.00 0.00 C ATOM 686 C VAL A 821 3.327 7.130 1.493 1.00 0.00 C ATOM 687 O VAL A 821 4.073 6.564 2.290 1.00 0.00 O ATOM 688 CB VAL A 821 1.235 5.846 1.043 1.00 0.00 C ATOM 689 CG1 VAL A 821 -0.259 5.744 1.311 1.00 0.00 C ATOM 690 CG2 VAL A 821 1.518 5.836 -0.452 1.00 0.00 C ATOM 0 H VAL A 821 0.859 8.223 0.192 1.00 0.00 H new ATOM 0 HA VAL A 821 1.592 7.104 2.760 1.00 0.00 H new ATOM 0 HB VAL A 821 1.720 4.977 1.488 1.00 0.00 H new ATOM 0 HG11 VAL A 821 -0.652 4.841 0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 821 -0.434 5.702 2.386 1.00 0.00 H new ATOM 0 HG13 VAL A 821 -0.764 6.616 0.895 1.00 0.00 H new ATOM 0 HG21 VAL A 821 1.101 4.932 -0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 821 1.061 6.711 -0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 821 2.595 5.859 -0.619 1.00 0.00 H new ATOM 700 N GLU A 822 3.770 7.783 0.422 1.00 0.00 N ATOM 701 CA GLU A 822 5.193 7.870 0.118 1.00 0.00 C ATOM 702 C GLU A 822 6.012 8.055 1.392 1.00 0.00 C ATOM 703 O GLU A 822 7.185 7.685 1.448 1.00 0.00 O ATOM 704 CB GLU A 822 5.461 9.029 -0.846 1.00 0.00 C ATOM 705 CG GLU A 822 5.422 10.394 -0.181 1.00 0.00 C ATOM 706 CD GLU A 822 5.908 11.502 -1.095 1.00 0.00 C ATOM 707 OE1 GLU A 822 6.860 11.260 -1.865 1.00 0.00 O ATOM 708 OE2 GLU A 822 5.336 12.611 -1.040 1.00 0.00 O ATOM 0 H GLU A 822 3.165 8.258 -0.248 1.00 0.00 H new ATOM 0 HA GLU A 822 5.495 6.935 -0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 822 6.438 8.887 -1.309 1.00 0.00 H new ATOM 0 HB3 GLU A 822 4.722 9.003 -1.647 1.00 0.00 H new ATOM 0 HG2 GLU A 822 4.402 10.611 0.136 1.00 0.00 H new ATOM 0 HG3 GLU A 822 6.038 10.374 0.718 1.00 0.00 H new ATOM 715 N SER A 823 5.385 8.629 2.414 1.00 0.00 N ATOM 716 CA SER A 823 6.056 8.867 3.686 1.00 0.00 C ATOM 717 C SER A 823 5.986 7.630 4.577 1.00 0.00 C ATOM 718 O SER A 823 5.987 7.734 5.803 1.00 0.00 O ATOM 719 CB SER A 823 5.426 10.062 4.404 1.00 0.00 C ATOM 720 OG SER A 823 6.162 10.406 5.565 1.00 0.00 O ATOM 0 H SER A 823 4.413 8.938 2.386 1.00 0.00 H new ATOM 0 HA SER A 823 7.104 9.087 3.480 1.00 0.00 H new ATOM 0 HB2 SER A 823 5.386 10.916 3.728 1.00 0.00 H new ATOM 0 HB3 SER A 823 4.398 9.825 4.678 1.00 0.00 H new ATOM 0 HG SER A 823 6.382 9.593 6.065 1.00 0.00 H new ATOM 726 N ASP A 824 5.926 6.460 3.950 1.00 0.00 N ATOM 727 CA ASP A 824 5.856 5.202 4.684 1.00 0.00 C ATOM 728 C ASP A 824 6.763 4.152 4.050 1.00 0.00 C ATOM 729 O ASP A 824 6.859 4.035 2.828 1.00 0.00 O ATOM 730 CB ASP A 824 4.415 4.691 4.726 1.00 0.00 C ATOM 731 CG ASP A 824 4.212 3.619 5.779 1.00 0.00 C ATOM 732 OD1 ASP A 824 4.678 2.480 5.564 1.00 0.00 O ATOM 733 OD2 ASP A 824 3.588 3.919 6.818 1.00 0.00 O ATOM 0 H ASP A 824 5.924 6.357 2.935 1.00 0.00 H new ATOM 0 HA ASP A 824 6.198 5.384 5.703 1.00 0.00 H new ATOM 0 HB2 ASP A 824 3.742 5.525 4.926 1.00 0.00 H new ATOM 0 HB3 ASP A 824 4.145 4.292 3.748 1.00 0.00 H new ATOM 738 N PRO A 825 7.447 3.370 4.899 1.00 0.00 N ATOM 739 CA PRO A 825 8.359 2.316 4.444 1.00 0.00 C ATOM 740 C PRO A 825 7.620 1.145 3.806 1.00 0.00 C ATOM 741 O PRO A 825 8.134 0.498 2.894 1.00 0.00 O ATOM 742 CB PRO A 825 9.056 1.871 5.732 1.00 0.00 C ATOM 743 CG PRO A 825 8.096 2.210 6.819 1.00 0.00 C ATOM 744 CD PRO A 825 7.381 3.454 6.367 1.00 0.00 C ATOM 0 HA PRO A 825 9.043 2.673 3.674 1.00 0.00 H new ATOM 0 HB2 PRO A 825 9.274 0.803 5.715 1.00 0.00 H new ATOM 0 HB3 PRO A 825 10.006 2.388 5.867 1.00 0.00 H new ATOM 0 HG2 PRO A 825 7.392 1.395 6.987 1.00 0.00 H new ATOM 0 HG3 PRO A 825 8.617 2.380 7.761 1.00 0.00 H new ATOM 0 HD2 PRO A 825 6.351 3.477 6.722 1.00 0.00 H new ATOM 0 HD3 PRO A 825 7.867 4.355 6.740 1.00 0.00 H new ATOM 752 N ARG A 826 6.412 0.879 4.291 1.00 0.00 N ATOM 753 CA ARG A 826 5.602 -0.215 3.768 1.00 0.00 C ATOM 754 C ARG A 826 5.288 0.000 2.290 1.00 0.00 C ATOM 755 O ARG A 826 5.171 -0.958 1.525 1.00 0.00 O ATOM 756 CB ARG A 826 4.302 -0.341 4.564 1.00 0.00 C ATOM 757 CG ARG A 826 4.496 -0.906 5.962 1.00 0.00 C ATOM 758 CD ARG A 826 3.236 -0.760 6.801 1.00 0.00 C ATOM 759 NE ARG A 826 3.056 0.606 7.285 1.00 0.00 N ATOM 760 CZ ARG A 826 2.022 0.993 8.024 1.00 0.00 C ATOM 761 NH1 ARG A 826 1.082 0.122 8.363 1.00 0.00 N ATOM 762 NH2 ARG A 826 1.928 2.254 8.426 1.00 0.00 N ATOM 0 H ARG A 826 5.972 1.406 5.045 1.00 0.00 H new ATOM 0 HA ARG A 826 6.173 -1.138 3.870 1.00 0.00 H new ATOM 0 HB2 ARG A 826 3.836 0.641 4.640 1.00 0.00 H new ATOM 0 HB3 ARG A 826 3.611 -0.981 4.015 1.00 0.00 H new ATOM 0 HG2 ARG A 826 4.770 -1.959 5.895 1.00 0.00 H new ATOM 0 HG3 ARG A 826 5.323 -0.392 6.452 1.00 0.00 H new ATOM 0 HD2 ARG A 826 2.369 -1.051 6.207 1.00 0.00 H new ATOM 0 HD3 ARG A 826 3.285 -1.442 7.650 1.00 0.00 H new ATOM 0 HE ARG A 826 3.762 1.301 7.043 1.00 0.00 H new ATOM 0 HH11 ARG A 826 1.151 -0.848 8.056 1.00 0.00 H new ATOM 0 HH12 ARG A 826 0.289 0.422 8.930 1.00 0.00 H new ATOM 0 HH21 ARG A 826 2.650 2.927 8.168 1.00 0.00 H new ATOM 0 HH22 ARG A 826 1.134 2.551 8.993 1.00 0.00 H new ATOM 776 N TYR A 827 5.152 1.261 1.897 1.00 0.00 N ATOM 777 CA TYR A 827 4.849 1.601 0.512 1.00 0.00 C ATOM 778 C TYR A 827 6.013 1.239 -0.406 1.00 0.00 C ATOM 779 O TYR A 827 5.834 1.042 -1.608 1.00 0.00 O ATOM 780 CB TYR A 827 4.533 3.093 0.389 1.00 0.00 C ATOM 781 CG TYR A 827 4.639 3.619 -1.025 1.00 0.00 C ATOM 782 CD1 TYR A 827 5.876 3.890 -1.595 1.00 0.00 C ATOM 783 CD2 TYR A 827 3.501 3.846 -1.790 1.00 0.00 C ATOM 784 CE1 TYR A 827 5.978 4.372 -2.886 1.00 0.00 C ATOM 785 CE2 TYR A 827 3.593 4.326 -3.082 1.00 0.00 C ATOM 786 CZ TYR A 827 4.833 4.588 -3.625 1.00 0.00 C ATOM 787 OH TYR A 827 4.930 5.067 -4.911 1.00 0.00 O ATOM 0 H TYR A 827 5.247 2.065 2.518 1.00 0.00 H new ATOM 0 HA TYR A 827 3.976 1.024 0.206 1.00 0.00 H new ATOM 0 HB2 TYR A 827 3.524 3.274 0.761 1.00 0.00 H new ATOM 0 HB3 TYR A 827 5.214 3.654 1.029 1.00 0.00 H new ATOM 0 HD1 TYR A 827 6.774 3.721 -1.019 1.00 0.00 H new ATOM 0 HD2 TYR A 827 2.528 3.644 -1.367 1.00 0.00 H new ATOM 0 HE1 TYR A 827 6.948 4.578 -3.314 1.00 0.00 H new ATOM 0 HE2 TYR A 827 2.699 4.495 -3.663 1.00 0.00 H new ATOM 0 HH TYR A 827 5.772 4.764 -5.310 1.00 0.00 H new ATOM 797 N LYS A 828 7.207 1.152 0.170 1.00 0.00 N ATOM 798 CA LYS A 828 8.402 0.812 -0.592 1.00 0.00 C ATOM 799 C LYS A 828 8.412 -0.669 -0.956 1.00 0.00 C ATOM 800 O LYS A 828 9.099 -1.084 -1.889 1.00 0.00 O ATOM 801 CB LYS A 828 9.659 1.160 0.208 1.00 0.00 C ATOM 802 CG LYS A 828 9.929 2.652 0.298 1.00 0.00 C ATOM 803 CD LYS A 828 10.817 2.987 1.485 1.00 0.00 C ATOM 804 CE LYS A 828 12.279 2.686 1.190 1.00 0.00 C ATOM 805 NZ LYS A 828 12.887 3.708 0.294 1.00 0.00 N ATOM 0 H LYS A 828 7.373 1.313 1.164 1.00 0.00 H new ATOM 0 HA LYS A 828 8.393 1.395 -1.513 1.00 0.00 H new ATOM 0 HB2 LYS A 828 9.562 0.755 1.215 1.00 0.00 H new ATOM 0 HB3 LYS A 828 10.518 0.671 -0.251 1.00 0.00 H new ATOM 0 HG2 LYS A 828 10.405 2.993 -0.621 1.00 0.00 H new ATOM 0 HG3 LYS A 828 8.985 3.189 0.386 1.00 0.00 H new ATOM 0 HD2 LYS A 828 10.705 4.041 1.738 1.00 0.00 H new ATOM 0 HD3 LYS A 828 10.495 2.414 2.355 1.00 0.00 H new ATOM 0 HE2 LYS A 828 12.837 2.645 2.125 1.00 0.00 H new ATOM 0 HE3 LYS A 828 12.361 1.703 0.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 828 13.914 3.555 0.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 828 12.474 3.626 -0.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 828 12.698 4.658 0.673 1.00 0.00 H new ATOM 819 N ALA A 829 7.645 -1.461 -0.214 1.00 0.00 N ATOM 820 CA ALA A 829 7.563 -2.895 -0.461 1.00 0.00 C ATOM 821 C ALA A 829 7.301 -3.184 -1.936 1.00 0.00 C ATOM 822 O ALA A 829 8.015 -3.968 -2.561 1.00 0.00 O ATOM 823 CB ALA A 829 6.476 -3.519 0.402 1.00 0.00 C ATOM 0 H ALA A 829 7.071 -1.133 0.563 1.00 0.00 H new ATOM 0 HA ALA A 829 8.522 -3.339 -0.195 1.00 0.00 H new ATOM 0 HB1 ALA A 829 6.426 -4.590 0.207 1.00 0.00 H new ATOM 0 HB2 ALA A 829 6.706 -3.352 1.454 1.00 0.00 H new ATOM 0 HB3 ALA A 829 5.515 -3.062 0.164 1.00 0.00 H new ATOM 829 N VAL A 830 6.273 -2.547 -2.485 1.00 0.00 N ATOM 830 CA VAL A 830 5.917 -2.735 -3.886 1.00 0.00 C ATOM 831 C VAL A 830 6.979 -2.145 -4.807 1.00 0.00 C ATOM 832 O VAL A 830 7.177 -0.931 -4.846 1.00 0.00 O ATOM 833 CB VAL A 830 4.556 -2.090 -4.211 1.00 0.00 C ATOM 834 CG1 VAL A 830 4.106 -2.471 -5.613 1.00 0.00 C ATOM 835 CG2 VAL A 830 3.515 -2.496 -3.179 1.00 0.00 C ATOM 0 H VAL A 830 5.671 -1.896 -1.981 1.00 0.00 H new ATOM 0 HA VAL A 830 5.851 -3.810 -4.054 1.00 0.00 H new ATOM 0 HB VAL A 830 4.668 -1.006 -4.174 1.00 0.00 H new ATOM 0 HG11 VAL A 830 3.143 -2.006 -5.825 1.00 0.00 H new ATOM 0 HG12 VAL A 830 4.843 -2.126 -6.338 1.00 0.00 H new ATOM 0 HG13 VAL A 830 4.009 -3.554 -5.682 1.00 0.00 H new ATOM 0 HG21 VAL A 830 2.560 -2.032 -3.424 1.00 0.00 H new ATOM 0 HG22 VAL A 830 3.403 -3.580 -3.182 1.00 0.00 H new ATOM 0 HG23 VAL A 830 3.835 -2.168 -2.190 1.00 0.00 H new ATOM 845 N ASP A 831 7.659 -3.013 -5.548 1.00 0.00 N ATOM 846 CA ASP A 831 8.702 -2.579 -6.471 1.00 0.00 C ATOM 847 C ASP A 831 8.097 -2.108 -7.790 1.00 0.00 C ATOM 848 O ASP A 831 8.400 -1.015 -8.268 1.00 0.00 O ATOM 849 CB ASP A 831 9.693 -3.715 -6.727 1.00 0.00 C ATOM 850 CG ASP A 831 10.912 -3.257 -7.502 1.00 0.00 C ATOM 851 OD1 ASP A 831 10.756 -2.409 -8.406 1.00 0.00 O ATOM 852 OD2 ASP A 831 12.022 -3.745 -7.204 1.00 0.00 O ATOM 0 H ASP A 831 7.507 -4.021 -5.528 1.00 0.00 H new ATOM 0 HA ASP A 831 9.232 -1.743 -6.015 1.00 0.00 H new ATOM 0 HB2 ASP A 831 10.010 -4.138 -5.774 1.00 0.00 H new ATOM 0 HB3 ASP A 831 9.194 -4.511 -7.279 1.00 0.00 H new ATOM 857 N SER A 832 7.242 -2.941 -8.374 1.00 0.00 N ATOM 858 CA SER A 832 6.598 -2.612 -9.641 1.00 0.00 C ATOM 859 C SER A 832 5.533 -1.538 -9.446 1.00 0.00 C ATOM 860 O SER A 832 4.757 -1.583 -8.492 1.00 0.00 O ATOM 861 CB SER A 832 5.970 -3.864 -10.258 1.00 0.00 C ATOM 862 OG SER A 832 5.942 -3.776 -11.672 1.00 0.00 O ATOM 0 H SER A 832 6.979 -3.849 -7.990 1.00 0.00 H new ATOM 0 HA SER A 832 7.359 -2.225 -10.318 1.00 0.00 H new ATOM 0 HB2 SER A 832 6.536 -4.745 -9.956 1.00 0.00 H new ATOM 0 HB3 SER A 832 4.956 -3.991 -9.878 1.00 0.00 H new ATOM 0 HG SER A 832 5.538 -4.588 -12.042 1.00 0.00 H new ATOM 868 N SER A 833 5.503 -0.572 -10.359 1.00 0.00 N ATOM 869 CA SER A 833 4.536 0.518 -10.287 1.00 0.00 C ATOM 870 C SER A 833 3.141 0.033 -10.671 1.00 0.00 C ATOM 871 O SER A 833 2.150 0.398 -10.040 1.00 0.00 O ATOM 872 CB SER A 833 4.960 1.666 -11.205 1.00 0.00 C ATOM 873 OG SER A 833 6.252 2.140 -10.866 1.00 0.00 O ATOM 0 H SER A 833 6.137 -0.522 -11.157 1.00 0.00 H new ATOM 0 HA SER A 833 4.507 0.877 -9.258 1.00 0.00 H new ATOM 0 HB2 SER A 833 4.954 1.328 -12.241 1.00 0.00 H new ATOM 0 HB3 SER A 833 4.239 2.480 -11.131 1.00 0.00 H new ATOM 0 HG SER A 833 6.500 2.872 -11.468 1.00 0.00 H new ATOM 879 N SER A 834 3.075 -0.793 -11.710 1.00 0.00 N ATOM 880 CA SER A 834 1.802 -1.326 -12.182 1.00 0.00 C ATOM 881 C SER A 834 0.982 -1.882 -11.022 1.00 0.00 C ATOM 882 O SER A 834 -0.230 -1.681 -10.951 1.00 0.00 O ATOM 883 CB SER A 834 2.039 -2.421 -13.225 1.00 0.00 C ATOM 884 OG SER A 834 2.679 -1.898 -14.376 1.00 0.00 O ATOM 0 H SER A 834 3.887 -1.108 -12.241 1.00 0.00 H new ATOM 0 HA SER A 834 1.243 -0.511 -12.641 1.00 0.00 H new ATOM 0 HB2 SER A 834 2.651 -3.213 -12.793 1.00 0.00 H new ATOM 0 HB3 SER A 834 1.087 -2.871 -13.507 1.00 0.00 H new ATOM 0 HG SER A 834 2.821 -2.617 -15.027 1.00 0.00 H new ATOM 890 N MET A 835 1.653 -2.584 -10.114 1.00 0.00 N ATOM 891 CA MET A 835 0.988 -3.168 -8.956 1.00 0.00 C ATOM 892 C MET A 835 0.327 -2.088 -8.105 1.00 0.00 C ATOM 893 O MET A 835 -0.821 -2.232 -7.685 1.00 0.00 O ATOM 894 CB MET A 835 1.989 -3.958 -8.110 1.00 0.00 C ATOM 895 CG MET A 835 2.564 -5.171 -8.823 1.00 0.00 C ATOM 896 SD MET A 835 1.347 -6.481 -9.055 1.00 0.00 S ATOM 897 CE MET A 835 0.914 -6.846 -7.356 1.00 0.00 C ATOM 0 H MET A 835 2.656 -2.762 -10.158 1.00 0.00 H new ATOM 0 HA MET A 835 0.214 -3.845 -9.317 1.00 0.00 H new ATOM 0 HB2 MET A 835 2.806 -3.298 -7.818 1.00 0.00 H new ATOM 0 HB3 MET A 835 1.499 -4.285 -7.193 1.00 0.00 H new ATOM 0 HG2 MET A 835 2.954 -4.866 -9.794 1.00 0.00 H new ATOM 0 HG3 MET A 835 3.406 -5.560 -8.250 1.00 0.00 H new ATOM 0 HE1 MET A 835 0.751 -7.918 -7.244 1.00 0.00 H new ATOM 0 HE2 MET A 835 1.725 -6.532 -6.698 1.00 0.00 H new ATOM 0 HE3 MET A 835 0.003 -6.311 -7.090 1.00 0.00 H new ATOM 907 N ARG A 836 1.059 -1.007 -7.856 1.00 0.00 N ATOM 908 CA ARG A 836 0.544 0.097 -7.055 1.00 0.00 C ATOM 909 C ARG A 836 -0.764 0.626 -7.636 1.00 0.00 C ATOM 910 O ARG A 836 -1.758 0.768 -6.925 1.00 0.00 O ATOM 911 CB ARG A 836 1.574 1.224 -6.979 1.00 0.00 C ATOM 912 CG ARG A 836 2.851 0.835 -6.251 1.00 0.00 C ATOM 913 CD ARG A 836 3.554 2.052 -5.670 1.00 0.00 C ATOM 914 NE ARG A 836 4.164 2.878 -6.708 1.00 0.00 N ATOM 915 CZ ARG A 836 5.322 2.590 -7.291 1.00 0.00 C ATOM 916 NH1 ARG A 836 5.991 1.500 -6.941 1.00 0.00 N ATOM 917 NH2 ARG A 836 5.812 3.391 -8.228 1.00 0.00 N ATOM 0 H ARG A 836 2.011 -0.872 -8.197 1.00 0.00 H new ATOM 0 HA ARG A 836 0.350 -0.276 -6.049 1.00 0.00 H new ATOM 0 HB2 ARG A 836 1.825 1.544 -7.990 1.00 0.00 H new ATOM 0 HB3 ARG A 836 1.126 2.081 -6.476 1.00 0.00 H new ATOM 0 HG2 ARG A 836 2.616 0.133 -5.451 1.00 0.00 H new ATOM 0 HG3 ARG A 836 3.521 0.320 -6.940 1.00 0.00 H new ATOM 0 HD2 ARG A 836 2.838 2.649 -5.105 1.00 0.00 H new ATOM 0 HD3 ARG A 836 4.322 1.727 -4.968 1.00 0.00 H new ATOM 0 HE ARG A 836 3.674 3.723 -7.002 1.00 0.00 H new ATOM 0 HH11 ARG A 836 5.616 0.880 -6.222 1.00 0.00 H new ATOM 0 HH12 ARG A 836 6.880 1.281 -7.390 1.00 0.00 H new ATOM 0 HH21 ARG A 836 5.299 4.229 -8.502 1.00 0.00 H new ATOM 0 HH22 ARG A 836 6.701 3.169 -8.675 1.00 0.00 H new ATOM 931 N GLU A 837 -0.754 0.917 -8.933 1.00 0.00 N ATOM 932 CA GLU A 837 -1.939 1.433 -9.609 1.00 0.00 C ATOM 933 C GLU A 837 -3.069 0.407 -9.585 1.00 0.00 C ATOM 934 O GLU A 837 -4.145 0.665 -9.045 1.00 0.00 O ATOM 935 CB GLU A 837 -1.607 1.807 -11.055 1.00 0.00 C ATOM 936 CG GLU A 837 -1.052 3.214 -11.207 1.00 0.00 C ATOM 937 CD GLU A 837 -0.303 3.408 -12.511 1.00 0.00 C ATOM 938 OE1 GLU A 837 0.417 2.475 -12.925 1.00 0.00 O ATOM 939 OE2 GLU A 837 -0.436 4.491 -13.117 1.00 0.00 O ATOM 0 H GLU A 837 0.061 0.804 -9.536 1.00 0.00 H new ATOM 0 HA GLU A 837 -2.269 2.325 -9.077 1.00 0.00 H new ATOM 0 HB2 GLU A 837 -0.882 1.095 -11.448 1.00 0.00 H new ATOM 0 HB3 GLU A 837 -2.508 1.713 -11.662 1.00 0.00 H new ATOM 0 HG2 GLU A 837 -1.871 3.931 -11.153 1.00 0.00 H new ATOM 0 HG3 GLU A 837 -0.384 3.429 -10.373 1.00 0.00 H new ATOM 946 N ASP A 838 -2.816 -0.757 -10.174 1.00 0.00 N ATOM 947 CA ASP A 838 -3.810 -1.822 -10.220 1.00 0.00 C ATOM 948 C ASP A 838 -4.437 -2.041 -8.846 1.00 0.00 C ATOM 949 O ASP A 838 -5.643 -1.867 -8.668 1.00 0.00 O ATOM 950 CB ASP A 838 -3.174 -3.122 -10.716 1.00 0.00 C ATOM 951 CG ASP A 838 -4.166 -4.015 -11.435 1.00 0.00 C ATOM 952 OD1 ASP A 838 -4.443 -3.757 -12.625 1.00 0.00 O ATOM 953 OD2 ASP A 838 -4.667 -4.971 -10.807 1.00 0.00 O ATOM 0 H ASP A 838 -1.931 -0.986 -10.626 1.00 0.00 H new ATOM 0 HA ASP A 838 -4.595 -1.522 -10.914 1.00 0.00 H new ATOM 0 HB2 ASP A 838 -2.349 -2.886 -11.388 1.00 0.00 H new ATOM 0 HB3 ASP A 838 -2.751 -3.662 -9.869 1.00 0.00 H new ATOM 958 N LEU A 839 -3.611 -2.424 -7.879 1.00 0.00 N ATOM 959 CA LEU A 839 -4.084 -2.668 -6.521 1.00 0.00 C ATOM 960 C LEU A 839 -4.959 -1.517 -6.034 1.00 0.00 C ATOM 961 O LEU A 839 -6.134 -1.707 -5.719 1.00 0.00 O ATOM 962 CB LEU A 839 -2.898 -2.857 -5.573 1.00 0.00 C ATOM 963 CG LEU A 839 -2.011 -4.073 -5.843 1.00 0.00 C ATOM 964 CD1 LEU A 839 -0.745 -4.007 -5.003 1.00 0.00 C ATOM 965 CD2 LEU A 839 -2.771 -5.361 -5.565 1.00 0.00 C ATOM 0 H LEU A 839 -2.610 -2.572 -8.010 1.00 0.00 H new ATOM 0 HA LEU A 839 -4.684 -3.578 -6.530 1.00 0.00 H new ATOM 0 HB2 LEU A 839 -2.277 -1.962 -5.617 1.00 0.00 H new ATOM 0 HB3 LEU A 839 -3.280 -2.930 -4.555 1.00 0.00 H new ATOM 0 HG LEU A 839 -1.726 -4.064 -6.895 1.00 0.00 H new ATOM 0 HD11 LEU A 839 -0.126 -4.880 -5.208 1.00 0.00 H new ATOM 0 HD12 LEU A 839 -0.190 -3.102 -5.252 1.00 0.00 H new ATOM 0 HD13 LEU A 839 -1.010 -3.991 -3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 839 -2.124 -6.215 -5.763 1.00 0.00 H new ATOM 0 HD22 LEU A 839 -3.087 -5.379 -4.522 1.00 0.00 H new ATOM 0 HD23 LEU A 839 -3.648 -5.413 -6.211 1.00 0.00 H new ATOM 977 N PHE A 840 -4.380 -0.322 -5.978 1.00 0.00 N ATOM 978 CA PHE A 840 -5.107 0.860 -5.531 1.00 0.00 C ATOM 979 C PHE A 840 -6.494 0.917 -6.166 1.00 0.00 C ATOM 980 O PHE A 840 -7.504 1.023 -5.470 1.00 0.00 O ATOM 981 CB PHE A 840 -4.323 2.128 -5.876 1.00 0.00 C ATOM 982 CG PHE A 840 -5.063 3.395 -5.557 1.00 0.00 C ATOM 983 CD1 PHE A 840 -5.316 3.754 -4.243 1.00 0.00 C ATOM 984 CD2 PHE A 840 -5.506 4.228 -6.572 1.00 0.00 C ATOM 985 CE1 PHE A 840 -5.996 4.920 -3.946 1.00 0.00 C ATOM 986 CE2 PHE A 840 -6.186 5.396 -6.281 1.00 0.00 C ATOM 987 CZ PHE A 840 -6.433 5.741 -4.966 1.00 0.00 C ATOM 0 H PHE A 840 -3.409 -0.147 -6.237 1.00 0.00 H new ATOM 0 HA PHE A 840 -5.224 0.797 -4.449 1.00 0.00 H new ATOM 0 HB2 PHE A 840 -3.379 2.121 -5.332 1.00 0.00 H new ATOM 0 HB3 PHE A 840 -4.079 2.117 -6.938 1.00 0.00 H new ATOM 0 HD1 PHE A 840 -4.978 3.115 -3.441 1.00 0.00 H new ATOM 0 HD2 PHE A 840 -5.318 3.962 -7.602 1.00 0.00 H new ATOM 0 HE1 PHE A 840 -6.185 5.188 -2.917 1.00 0.00 H new ATOM 0 HE2 PHE A 840 -6.524 6.038 -7.081 1.00 0.00 H new ATOM 0 HZ PHE A 840 -6.967 6.651 -4.737 1.00 0.00 H new ATOM 997 N LYS A 841 -6.534 0.847 -7.492 1.00 0.00 N ATOM 998 CA LYS A 841 -7.795 0.890 -8.223 1.00 0.00 C ATOM 999 C LYS A 841 -8.737 -0.211 -7.747 1.00 0.00 C ATOM 1000 O LYS A 841 -9.921 0.032 -7.516 1.00 0.00 O ATOM 1001 CB LYS A 841 -7.542 0.746 -9.726 1.00 0.00 C ATOM 1002 CG LYS A 841 -6.996 2.006 -10.375 1.00 0.00 C ATOM 1003 CD LYS A 841 -6.471 1.730 -11.774 1.00 0.00 C ATOM 1004 CE LYS A 841 -5.378 2.714 -12.163 1.00 0.00 C ATOM 1005 NZ LYS A 841 -5.171 2.758 -13.637 1.00 0.00 N ATOM 0 H LYS A 841 -5.707 0.760 -8.083 1.00 0.00 H new ATOM 0 HA LYS A 841 -8.265 1.854 -8.031 1.00 0.00 H new ATOM 0 HB2 LYS A 841 -6.840 -0.071 -9.891 1.00 0.00 H new ATOM 0 HB3 LYS A 841 -8.474 0.469 -10.218 1.00 0.00 H new ATOM 0 HG2 LYS A 841 -7.780 2.761 -10.422 1.00 0.00 H new ATOM 0 HG3 LYS A 841 -6.195 2.416 -9.759 1.00 0.00 H new ATOM 0 HD2 LYS A 841 -6.081 0.713 -11.824 1.00 0.00 H new ATOM 0 HD3 LYS A 841 -7.290 1.793 -12.490 1.00 0.00 H new ATOM 0 HE2 LYS A 841 -5.640 3.709 -11.803 1.00 0.00 H new ATOM 0 HE3 LYS A 841 -4.445 2.433 -11.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 -4.419 3.440 -13.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 -4.896 1.814 -13.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 -6.054 3.051 -14.103 1.00 0.00 H new ATOM 1019 N GLN A 842 -8.203 -1.419 -7.603 1.00 0.00 N ATOM 1020 CA GLN A 842 -8.998 -2.556 -7.154 1.00 0.00 C ATOM 1021 C GLN A 842 -9.726 -2.232 -5.854 1.00 0.00 C ATOM 1022 O GLN A 842 -10.954 -2.293 -5.786 1.00 0.00 O ATOM 1023 CB GLN A 842 -8.107 -3.784 -6.960 1.00 0.00 C ATOM 1024 CG GLN A 842 -7.837 -4.549 -8.246 1.00 0.00 C ATOM 1025 CD GLN A 842 -7.146 -5.876 -8.001 1.00 0.00 C ATOM 1026 OE1 GLN A 842 -7.780 -6.932 -8.021 1.00 0.00 O ATOM 1027 NE2 GLN A 842 -5.840 -5.830 -7.768 1.00 0.00 N ATOM 0 H GLN A 842 -7.224 -1.636 -7.790 1.00 0.00 H new ATOM 0 HA GLN A 842 -9.741 -2.772 -7.921 1.00 0.00 H new ATOM 0 HB2 GLN A 842 -7.157 -3.469 -6.528 1.00 0.00 H new ATOM 0 HB3 GLN A 842 -8.578 -4.454 -6.240 1.00 0.00 H new ATOM 0 HG2 GLN A 842 -8.780 -4.725 -8.765 1.00 0.00 H new ATOM 0 HG3 GLN A 842 -7.220 -3.938 -8.905 1.00 0.00 H new ATOM 0 HE21 GLN A 842 -5.355 -4.933 -7.761 1.00 0.00 H new ATOM 0 HE22 GLN A 842 -5.322 -6.692 -7.596 1.00 0.00 H new ATOM 1036 N TYR A 843 -8.962 -1.887 -4.823 1.00 0.00 N ATOM 1037 CA TYR A 843 -9.534 -1.555 -3.524 1.00 0.00 C ATOM 1038 C TYR A 843 -10.626 -0.498 -3.663 1.00 0.00 C ATOM 1039 O TYR A 843 -11.780 -0.731 -3.303 1.00 0.00 O ATOM 1040 CB TYR A 843 -8.443 -1.056 -2.575 1.00 0.00 C ATOM 1041 CG TYR A 843 -8.824 -1.144 -1.115 1.00 0.00 C ATOM 1042 CD1 TYR A 843 -9.629 -0.176 -0.527 1.00 0.00 C ATOM 1043 CD2 TYR A 843 -8.379 -2.195 -0.323 1.00 0.00 C ATOM 1044 CE1 TYR A 843 -9.979 -0.252 0.808 1.00 0.00 C ATOM 1045 CE2 TYR A 843 -8.725 -2.280 1.012 1.00 0.00 C ATOM 1046 CZ TYR A 843 -9.525 -1.306 1.573 1.00 0.00 C ATOM 1047 OH TYR A 843 -9.871 -1.386 2.902 1.00 0.00 O ATOM 0 H TYR A 843 -7.944 -1.830 -4.862 1.00 0.00 H new ATOM 0 HA TYR A 843 -9.980 -2.459 -3.110 1.00 0.00 H new ATOM 0 HB2 TYR A 843 -7.536 -1.637 -2.741 1.00 0.00 H new ATOM 0 HB3 TYR A 843 -8.207 -0.020 -2.819 1.00 0.00 H new ATOM 0 HD1 TYR A 843 -9.987 0.650 -1.123 1.00 0.00 H new ATOM 0 HD2 TYR A 843 -7.752 -2.959 -0.758 1.00 0.00 H new ATOM 0 HE1 TYR A 843 -10.604 0.510 1.250 1.00 0.00 H new ATOM 0 HE2 TYR A 843 -8.371 -3.105 1.613 1.00 0.00 H new ATOM 0 HH TYR A 843 -9.470 -2.189 3.297 1.00 0.00 H new ATOM 1057 N ILE A 844 -10.252 0.663 -4.189 1.00 0.00 N ATOM 1058 CA ILE A 844 -11.198 1.756 -4.378 1.00 0.00 C ATOM 1059 C ILE A 844 -12.446 1.281 -5.114 1.00 0.00 C ATOM 1060 O ILE A 844 -13.567 1.623 -4.739 1.00 0.00 O ATOM 1061 CB ILE A 844 -10.565 2.920 -5.163 1.00 0.00 C ATOM 1062 CG1 ILE A 844 -9.319 3.434 -4.439 1.00 0.00 C ATOM 1063 CG2 ILE A 844 -11.574 4.042 -5.352 1.00 0.00 C ATOM 1064 CD1 ILE A 844 -9.568 3.798 -2.992 1.00 0.00 C ATOM 0 H ILE A 844 -9.301 0.871 -4.492 1.00 0.00 H new ATOM 0 HA ILE A 844 -11.476 2.108 -3.384 1.00 0.00 H new ATOM 0 HB ILE A 844 -10.267 2.556 -6.146 1.00 0.00 H new ATOM 0 HG12 ILE A 844 -8.542 2.671 -4.485 1.00 0.00 H new ATOM 0 HG13 ILE A 844 -8.938 4.309 -4.965 1.00 0.00 H new ATOM 0 HG21 ILE A 844 -11.112 4.857 -5.908 1.00 0.00 H new ATOM 0 HG22 ILE A 844 -12.435 3.668 -5.905 1.00 0.00 H new ATOM 0 HG23 ILE A 844 -11.899 4.407 -4.378 1.00 0.00 H new ATOM 0 HD11 ILE A 844 -8.641 4.154 -2.542 1.00 0.00 H new ATOM 0 HD12 ILE A 844 -10.323 4.583 -2.939 1.00 0.00 H new ATOM 0 HD13 ILE A 844 -9.920 2.919 -2.451 1.00 0.00 H new ATOM 1076 N GLU A 845 -12.243 0.489 -6.162 1.00 0.00 N ATOM 1077 CA GLU A 845 -13.353 -0.034 -6.950 1.00 0.00 C ATOM 1078 C GLU A 845 -14.372 -0.736 -6.056 1.00 0.00 C ATOM 1079 O GLU A 845 -15.580 -0.557 -6.213 1.00 0.00 O ATOM 1080 CB GLU A 845 -12.839 -1.005 -8.016 1.00 0.00 C ATOM 1081 CG GLU A 845 -13.724 -1.080 -9.248 1.00 0.00 C ATOM 1082 CD GLU A 845 -13.335 -2.215 -10.177 1.00 0.00 C ATOM 1083 OE1 GLU A 845 -13.690 -3.374 -9.879 1.00 0.00 O ATOM 1084 OE2 GLU A 845 -12.676 -1.942 -11.202 1.00 0.00 O ATOM 0 H GLU A 845 -11.321 0.196 -6.485 1.00 0.00 H new ATOM 0 HA GLU A 845 -13.844 0.806 -7.441 1.00 0.00 H new ATOM 0 HB2 GLU A 845 -11.836 -0.703 -8.317 1.00 0.00 H new ATOM 0 HB3 GLU A 845 -12.754 -2.000 -7.579 1.00 0.00 H new ATOM 0 HG2 GLU A 845 -14.761 -1.208 -8.939 1.00 0.00 H new ATOM 0 HG3 GLU A 845 -13.667 -0.136 -9.790 1.00 0.00 H new ATOM 1091 N LYS A 846 -13.875 -1.536 -5.119 1.00 0.00 N ATOM 1092 CA LYS A 846 -14.739 -2.266 -4.199 1.00 0.00 C ATOM 1093 C LYS A 846 -15.542 -1.304 -3.329 1.00 0.00 C ATOM 1094 O LYS A 846 -16.755 -1.456 -3.176 1.00 0.00 O ATOM 1095 CB LYS A 846 -13.907 -3.197 -3.314 1.00 0.00 C ATOM 1096 CG LYS A 846 -14.710 -3.873 -2.217 1.00 0.00 C ATOM 1097 CD LYS A 846 -13.812 -4.636 -1.257 1.00 0.00 C ATOM 1098 CE LYS A 846 -14.463 -4.792 0.109 1.00 0.00 C ATOM 1099 NZ LYS A 846 -13.455 -5.042 1.177 1.00 0.00 N ATOM 0 H LYS A 846 -12.878 -1.695 -4.977 1.00 0.00 H new ATOM 0 HA LYS A 846 -15.435 -2.862 -4.789 1.00 0.00 H new ATOM 0 HB2 LYS A 846 -13.446 -3.962 -3.939 1.00 0.00 H new ATOM 0 HB3 LYS A 846 -13.097 -2.625 -2.860 1.00 0.00 H new ATOM 0 HG2 LYS A 846 -15.279 -3.123 -1.667 1.00 0.00 H new ATOM 0 HG3 LYS A 846 -15.432 -4.557 -2.663 1.00 0.00 H new ATOM 0 HD2 LYS A 846 -13.589 -5.620 -1.670 1.00 0.00 H new ATOM 0 HD3 LYS A 846 -12.862 -4.112 -1.151 1.00 0.00 H new ATOM 0 HE2 LYS A 846 -15.029 -3.891 0.347 1.00 0.00 H new ATOM 0 HE3 LYS A 846 -15.175 -5.617 0.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 846 -13.937 -5.143 2.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 846 -12.932 -5.915 0.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 846 -12.791 -4.243 1.222 1.00 0.00 H new ATOM 1113 N ILE A 847 -14.859 -0.315 -2.762 1.00 0.00 N ATOM 1114 CA ILE A 847 -15.510 0.672 -1.910 1.00 0.00 C ATOM 1115 C ILE A 847 -16.697 1.314 -2.621 1.00 0.00 C ATOM 1116 O ILE A 847 -17.846 1.135 -2.218 1.00 0.00 O ATOM 1117 CB ILE A 847 -14.528 1.775 -1.475 1.00 0.00 C ATOM 1118 CG1 ILE A 847 -13.339 1.165 -0.729 1.00 0.00 C ATOM 1119 CG2 ILE A 847 -15.236 2.801 -0.602 1.00 0.00 C ATOM 1120 CD1 ILE A 847 -12.249 2.164 -0.410 1.00 0.00 C ATOM 0 H ILE A 847 -13.855 -0.176 -2.877 1.00 0.00 H new ATOM 0 HA ILE A 847 -15.863 0.142 -1.025 1.00 0.00 H new ATOM 0 HB ILE A 847 -14.155 2.280 -2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 847 -13.694 0.718 0.200 1.00 0.00 H new ATOM 0 HG13 ILE A 847 -12.918 0.359 -1.330 1.00 0.00 H new ATOM 0 HG21 ILE A 847 -14.528 3.574 -0.303 1.00 0.00 H new ATOM 0 HG22 ILE A 847 -16.053 3.254 -1.163 1.00 0.00 H new ATOM 0 HG23 ILE A 847 -15.634 2.310 0.286 1.00 0.00 H new ATOM 0 HD11 ILE A 847 -11.439 1.662 0.119 1.00 0.00 H new ATOM 0 HD12 ILE A 847 -11.867 2.594 -1.336 1.00 0.00 H new ATOM 0 HD13 ILE A 847 -12.655 2.957 0.218 1.00 0.00 H new ATOM 1132 N ALA A 848 -16.410 2.063 -3.681 1.00 0.00 N ATOM 1133 CA ALA A 848 -17.453 2.729 -4.450 1.00 0.00 C ATOM 1134 C ALA A 848 -18.654 1.812 -4.657 1.00 0.00 C ATOM 1135 O ALA A 848 -19.797 2.207 -4.425 1.00 0.00 O ATOM 1136 CB ALA A 848 -16.904 3.194 -5.792 1.00 0.00 C ATOM 0 H ALA A 848 -15.464 2.223 -4.026 1.00 0.00 H new ATOM 0 HA ALA A 848 -17.787 3.599 -3.885 1.00 0.00 H new ATOM 0 HB1 ALA A 848 -17.694 3.690 -6.356 1.00 0.00 H new ATOM 0 HB2 ALA A 848 -16.083 3.892 -5.627 1.00 0.00 H new ATOM 0 HB3 ALA A 848 -16.542 2.334 -6.355 1.00 0.00 H new