USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 411 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 759 HIS : no HE2:sc= 0.289 K(o=1,f=-7.3!) USER MOD Set 1.2: A 769 HIS : no HD1:sc= 0.735 K(o=1,f=-7.2!) USER MOD Set 2.1: A 751 ASN : amide:sc= 1.46 K(o=1.5,f=-4.9!) USER MOD Set 2.2: A 753 HIS : no HD1:sc= 0 X(o=1.5,f=1.5) USER MOD Set 3.1: A 737 MET CE :methyl -146:sc= -1.1 (180deg=-1.19) USER MOD Set 3.2: A 765 HIS : no HE2:sc= 0.194 K(o=-0.91,f=-4.2!) USER MOD Single : A 728 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 732 MET CE :methyl -159:sc= -0.0419 (180deg=-0.34) USER MOD Single : A 739 SER OG : rot 65:sc= 1.24 USER MOD Single : A 740 LYS NZ :NH3+ 168:sc= -0.0202 (180deg=-0.19) USER MOD Single : A 741 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 742 MET CE :methyl -160:sc= -0.121 (180deg=-0.56) USER MOD Single : A 743 GLN : amide:sc= -0.797 K(o=-0.8,f=0) USER MOD Single : A 749 SER OG : rot 180:sc= 0.00122 USER MOD Single : A 752 SER OG : rot 180:sc= 0.00298 USER MOD Single : A 760 GLN : amide:sc= -1.39! X(o=-1.4!,f=-1) USER MOD Single : A 771 SER OG : rot 29:sc= 0.0164 USER MOD Single : A 781 THR OG1 : rot 180:sc= -0.177 USER MOD Single : A 783 SER OG : rot -120:sc= 0.399 USER MOD Single : A 784 LYS NZ :NH3+ -177:sc= 0.858 (180deg=0.846) USER MOD ----------------------------------------------------------------- ATOM 143 N HIS A 728 11.943 -11.987 -22.417 1.00 0.00 N ATOM 144 CA HIS A 728 12.830 -13.139 -22.354 1.00 0.00 C ATOM 145 C HIS A 728 13.889 -12.947 -21.279 1.00 0.00 C ATOM 146 O HIS A 728 14.083 -13.815 -20.432 1.00 0.00 O ATOM 147 CB HIS A 728 13.493 -13.386 -23.710 1.00 0.00 C ATOM 148 CG HIS A 728 14.035 -14.775 -23.865 1.00 0.00 C ATOM 149 ND1 HIS A 728 13.311 -15.825 -24.385 1.00 0.00 N ATOM 150 CD2 HIS A 728 15.254 -15.282 -23.549 1.00 0.00 C ATOM 151 CE1 HIS A 728 14.091 -16.912 -24.371 1.00 0.00 C ATOM 152 NE2 HIS A 728 15.281 -16.636 -23.872 1.00 0.00 N ATOM 0 HA HIS A 728 12.230 -14.012 -22.096 1.00 0.00 H new ATOM 0 HB2 HIS A 728 12.767 -13.197 -24.501 1.00 0.00 H new ATOM 0 HB3 HIS A 728 14.304 -12.671 -23.845 1.00 0.00 H new ATOM 0 HD2 HIS A 728 16.072 -14.725 -23.116 1.00 0.00 H new ATOM 0 HE1 HIS A 728 13.787 -17.887 -24.722 1.00 0.00 H new ATOM 0 HE2 HIS A 728 16.061 -17.282 -23.748 1.00 0.00 H new ATOM 160 N PHE A 729 14.545 -11.794 -21.290 1.00 0.00 N ATOM 161 CA PHE A 729 15.630 -11.535 -20.356 1.00 0.00 C ATOM 162 C PHE A 729 15.097 -11.326 -18.945 1.00 0.00 C ATOM 163 O PHE A 729 15.699 -11.781 -17.975 1.00 0.00 O ATOM 164 CB PHE A 729 16.458 -10.330 -20.806 1.00 0.00 C ATOM 165 CG PHE A 729 17.254 -10.589 -22.055 1.00 0.00 C ATOM 166 CD1 PHE A 729 18.098 -11.687 -22.131 1.00 0.00 C ATOM 167 CD2 PHE A 729 17.168 -9.741 -23.147 1.00 0.00 C ATOM 168 CE1 PHE A 729 18.837 -11.934 -23.270 1.00 0.00 C ATOM 169 CE2 PHE A 729 17.908 -9.984 -24.290 1.00 0.00 C ATOM 170 CZ PHE A 729 18.741 -11.081 -24.349 1.00 0.00 C ATOM 0 H PHE A 729 14.345 -11.027 -21.932 1.00 0.00 H new ATOM 0 HA PHE A 729 16.280 -12.410 -20.345 1.00 0.00 H new ATOM 0 HB2 PHE A 729 15.792 -9.484 -20.976 1.00 0.00 H new ATOM 0 HB3 PHE A 729 17.137 -10.044 -20.003 1.00 0.00 H new ATOM 0 HD1 PHE A 729 18.178 -12.357 -21.288 1.00 0.00 H new ATOM 0 HD2 PHE A 729 16.516 -8.881 -23.105 1.00 0.00 H new ATOM 0 HE1 PHE A 729 19.489 -12.794 -23.316 1.00 0.00 H new ATOM 0 HE2 PHE A 729 17.833 -9.315 -25.135 1.00 0.00 H new ATOM 0 HZ PHE A 729 19.319 -11.272 -25.241 1.00 0.00 H new ATOM 180 N ARG A 730 13.961 -10.653 -18.836 1.00 0.00 N ATOM 181 CA ARG A 730 13.317 -10.448 -17.548 1.00 0.00 C ATOM 182 C ARG A 730 12.915 -11.789 -16.941 1.00 0.00 C ATOM 183 O ARG A 730 13.040 -11.996 -15.733 1.00 0.00 O ATOM 184 CB ARG A 730 12.093 -9.539 -17.697 1.00 0.00 C ATOM 185 CG ARG A 730 11.518 -9.076 -16.365 1.00 0.00 C ATOM 186 CD ARG A 730 10.501 -7.961 -16.549 1.00 0.00 C ATOM 187 NE ARG A 730 9.975 -7.481 -15.269 1.00 0.00 N ATOM 188 CZ ARG A 730 10.395 -6.375 -14.650 1.00 0.00 C ATOM 189 NH1 ARG A 730 11.364 -5.635 -15.172 1.00 0.00 N ATOM 190 NH2 ARG A 730 9.847 -6.007 -13.502 1.00 0.00 N ATOM 0 H ARG A 730 13.466 -10.239 -19.626 1.00 0.00 H new ATOM 0 HA ARG A 730 14.026 -9.960 -16.879 1.00 0.00 H new ATOM 0 HB2 ARG A 730 12.368 -8.666 -18.289 1.00 0.00 H new ATOM 0 HB3 ARG A 730 11.320 -10.070 -18.253 1.00 0.00 H new ATOM 0 HG2 ARG A 730 11.047 -9.919 -15.859 1.00 0.00 H new ATOM 0 HG3 ARG A 730 12.326 -8.729 -15.721 1.00 0.00 H new ATOM 0 HD2 ARG A 730 10.965 -7.132 -17.084 1.00 0.00 H new ATOM 0 HD3 ARG A 730 9.678 -8.319 -17.168 1.00 0.00 H new ATOM 0 HE ARG A 730 9.239 -8.028 -14.821 1.00 0.00 H new ATOM 0 HH11 ARG A 730 11.796 -5.909 -16.055 1.00 0.00 H new ATOM 0 HH12 ARG A 730 11.677 -4.792 -14.691 1.00 0.00 H new ATOM 0 HH21 ARG A 730 9.103 -6.569 -13.089 1.00 0.00 H new ATOM 0 HH22 ARG A 730 10.169 -5.162 -13.031 1.00 0.00 H new ATOM 204 N ALA A 731 12.444 -12.698 -17.788 1.00 0.00 N ATOM 205 CA ALA A 731 12.093 -14.042 -17.348 1.00 0.00 C ATOM 206 C ALA A 731 13.335 -14.779 -16.863 1.00 0.00 C ATOM 207 O ALA A 731 13.326 -15.407 -15.802 1.00 0.00 O ATOM 208 CB ALA A 731 11.417 -14.819 -18.471 1.00 0.00 C ATOM 0 H ALA A 731 12.297 -12.528 -18.783 1.00 0.00 H new ATOM 0 HA ALA A 731 11.389 -13.960 -16.520 1.00 0.00 H new ATOM 0 HB1 ALA A 731 11.164 -15.819 -18.120 1.00 0.00 H new ATOM 0 HB2 ALA A 731 10.508 -14.301 -18.776 1.00 0.00 H new ATOM 0 HB3 ALA A 731 12.095 -14.894 -19.321 1.00 0.00 H new ATOM 214 N MET A 732 14.410 -14.680 -17.640 1.00 0.00 N ATOM 215 CA MET A 732 15.682 -15.292 -17.283 1.00 0.00 C ATOM 216 C MET A 732 16.175 -14.775 -15.935 1.00 0.00 C ATOM 217 O MET A 732 16.640 -15.547 -15.104 1.00 0.00 O ATOM 218 CB MET A 732 16.720 -15.001 -18.371 1.00 0.00 C ATOM 219 CG MET A 732 16.340 -15.577 -19.726 1.00 0.00 C ATOM 220 SD MET A 732 16.987 -17.236 -19.998 1.00 0.00 S ATOM 221 CE MET A 732 18.728 -16.878 -20.213 1.00 0.00 C ATOM 0 H MET A 732 14.423 -14.177 -18.527 1.00 0.00 H new ATOM 0 HA MET A 732 15.538 -16.369 -17.201 1.00 0.00 H new ATOM 0 HB2 MET A 732 16.848 -13.923 -18.464 1.00 0.00 H new ATOM 0 HB3 MET A 732 17.683 -15.411 -18.066 1.00 0.00 H new ATOM 0 HG2 MET A 732 15.254 -15.599 -19.813 1.00 0.00 H new ATOM 0 HG3 MET A 732 16.709 -14.917 -20.511 1.00 0.00 H new ATOM 0 HE1 MET A 732 19.206 -17.701 -20.745 1.00 0.00 H new ATOM 0 HE2 MET A 732 18.842 -15.959 -20.788 1.00 0.00 H new ATOM 0 HE3 MET A 732 19.198 -16.756 -19.237 1.00 0.00 H new ATOM 231 N ILE A 733 16.052 -13.470 -15.715 1.00 0.00 N ATOM 232 CA ILE A 733 16.529 -12.854 -14.483 1.00 0.00 C ATOM 233 C ILE A 733 15.642 -13.210 -13.285 1.00 0.00 C ATOM 234 O ILE A 733 16.148 -13.522 -12.204 1.00 0.00 O ATOM 235 CB ILE A 733 16.629 -11.317 -14.626 1.00 0.00 C ATOM 236 CG1 ILE A 733 17.700 -10.958 -15.659 1.00 0.00 C ATOM 237 CG2 ILE A 733 16.942 -10.663 -13.285 1.00 0.00 C ATOM 238 CD1 ILE A 733 17.840 -9.470 -15.911 1.00 0.00 C ATOM 0 H ILE A 733 15.626 -12.819 -16.374 1.00 0.00 H new ATOM 0 HA ILE A 733 17.526 -13.255 -14.298 1.00 0.00 H new ATOM 0 HB ILE A 733 15.665 -10.938 -14.967 1.00 0.00 H new ATOM 0 HG12 ILE A 733 18.660 -11.351 -15.324 1.00 0.00 H new ATOM 0 HG13 ILE A 733 17.463 -11.455 -16.600 1.00 0.00 H new ATOM 0 HG21 ILE A 733 17.007 -9.583 -13.413 1.00 0.00 H new ATOM 0 HG22 ILE A 733 16.151 -10.897 -12.573 1.00 0.00 H new ATOM 0 HG23 ILE A 733 17.892 -11.041 -12.909 1.00 0.00 H new ATOM 0 HD11 ILE A 733 18.618 -9.299 -16.654 1.00 0.00 H new ATOM 0 HD12 ILE A 733 16.894 -9.073 -16.278 1.00 0.00 H new ATOM 0 HD13 ILE A 733 18.109 -8.967 -14.982 1.00 0.00 H new ATOM 250 N VAL A 734 14.323 -13.182 -13.466 1.00 0.00 N ATOM 251 CA VAL A 734 13.414 -13.470 -12.358 1.00 0.00 C ATOM 252 C VAL A 734 13.553 -14.929 -11.913 1.00 0.00 C ATOM 253 O VAL A 734 13.511 -15.230 -10.720 1.00 0.00 O ATOM 254 CB VAL A 734 11.934 -13.139 -12.698 1.00 0.00 C ATOM 255 CG1 VAL A 734 11.368 -14.087 -13.746 1.00 0.00 C ATOM 256 CG2 VAL A 734 11.079 -13.151 -11.438 1.00 0.00 C ATOM 0 H VAL A 734 13.866 -12.967 -14.352 1.00 0.00 H new ATOM 0 HA VAL A 734 13.702 -12.818 -11.533 1.00 0.00 H new ATOM 0 HB VAL A 734 11.911 -12.136 -13.123 1.00 0.00 H new ATOM 0 HG11 VAL A 734 10.332 -13.821 -13.955 1.00 0.00 H new ATOM 0 HG12 VAL A 734 11.954 -14.009 -14.662 1.00 0.00 H new ATOM 0 HG13 VAL A 734 11.412 -15.110 -13.373 1.00 0.00 H new ATOM 0 HG21 VAL A 734 10.046 -12.917 -11.697 1.00 0.00 H new ATOM 0 HG22 VAL A 734 11.123 -14.138 -10.978 1.00 0.00 H new ATOM 0 HG23 VAL A 734 11.455 -12.406 -10.736 1.00 0.00 H new ATOM 266 N GLU A 735 13.762 -15.826 -12.870 1.00 0.00 N ATOM 267 CA GLU A 735 13.971 -17.235 -12.556 1.00 0.00 C ATOM 268 C GLU A 735 15.398 -17.465 -12.066 1.00 0.00 C ATOM 269 O GLU A 735 15.674 -18.419 -11.339 1.00 0.00 O ATOM 270 CB GLU A 735 13.676 -18.099 -13.782 1.00 0.00 C ATOM 271 CG GLU A 735 12.209 -18.079 -14.189 1.00 0.00 C ATOM 272 CD GLU A 735 11.930 -18.871 -15.449 1.00 0.00 C ATOM 273 OE1 GLU A 735 11.995 -20.119 -15.401 1.00 0.00 O ATOM 274 OE2 GLU A 735 11.614 -18.254 -16.484 1.00 0.00 O ATOM 0 H GLU A 735 13.791 -15.604 -13.865 1.00 0.00 H new ATOM 0 HA GLU A 735 13.285 -17.521 -11.759 1.00 0.00 H new ATOM 0 HB2 GLU A 735 14.283 -17.752 -14.618 1.00 0.00 H new ATOM 0 HB3 GLU A 735 13.975 -19.126 -13.575 1.00 0.00 H new ATOM 0 HG2 GLU A 735 11.607 -18.481 -13.374 1.00 0.00 H new ATOM 0 HG3 GLU A 735 11.894 -17.046 -14.339 1.00 0.00 H new ATOM 281 N PHE A 736 16.299 -16.575 -12.464 1.00 0.00 N ATOM 282 CA PHE A 736 17.683 -16.609 -12.012 1.00 0.00 C ATOM 283 C PHE A 736 17.761 -16.364 -10.510 1.00 0.00 C ATOM 284 O PHE A 736 18.512 -17.032 -9.802 1.00 0.00 O ATOM 285 CB PHE A 736 18.496 -15.557 -12.770 1.00 0.00 C ATOM 286 CG PHE A 736 19.850 -15.269 -12.193 1.00 0.00 C ATOM 287 CD1 PHE A 736 20.841 -16.237 -12.181 1.00 0.00 C ATOM 288 CD2 PHE A 736 20.132 -14.016 -11.677 1.00 0.00 C ATOM 289 CE1 PHE A 736 22.088 -15.958 -11.659 1.00 0.00 C ATOM 290 CE2 PHE A 736 21.375 -13.733 -11.153 1.00 0.00 C ATOM 291 CZ PHE A 736 22.354 -14.703 -11.145 1.00 0.00 C ATOM 0 H PHE A 736 16.091 -15.812 -13.108 1.00 0.00 H new ATOM 0 HA PHE A 736 18.099 -17.595 -12.216 1.00 0.00 H new ATOM 0 HB2 PHE A 736 18.619 -15.888 -13.801 1.00 0.00 H new ATOM 0 HB3 PHE A 736 17.925 -14.629 -12.799 1.00 0.00 H new ATOM 0 HD1 PHE A 736 20.636 -17.218 -12.583 1.00 0.00 H new ATOM 0 HD2 PHE A 736 19.369 -13.251 -11.685 1.00 0.00 H new ATOM 0 HE1 PHE A 736 22.854 -16.719 -11.652 1.00 0.00 H new ATOM 0 HE2 PHE A 736 21.581 -12.753 -10.749 1.00 0.00 H new ATOM 0 HZ PHE A 736 23.329 -14.482 -10.737 1.00 0.00 H new ATOM 301 N MET A 737 16.964 -15.415 -10.030 1.00 0.00 N ATOM 302 CA MET A 737 16.946 -15.085 -8.607 1.00 0.00 C ATOM 303 C MET A 737 16.452 -16.268 -7.782 1.00 0.00 C ATOM 304 O MET A 737 16.851 -16.440 -6.627 1.00 0.00 O ATOM 305 CB MET A 737 16.072 -13.855 -8.336 1.00 0.00 C ATOM 306 CG MET A 737 16.546 -12.608 -9.064 1.00 0.00 C ATOM 307 SD MET A 737 15.716 -11.104 -8.505 1.00 0.00 S ATOM 308 CE MET A 737 14.000 -11.512 -8.802 1.00 0.00 C ATOM 0 H MET A 737 16.325 -14.863 -10.601 1.00 0.00 H new ATOM 0 HA MET A 737 17.969 -14.854 -8.310 1.00 0.00 H new ATOM 0 HB2 MET A 737 15.047 -14.074 -8.634 1.00 0.00 H new ATOM 0 HB3 MET A 737 16.057 -13.658 -7.264 1.00 0.00 H new ATOM 0 HG2 MET A 737 17.621 -12.497 -8.921 1.00 0.00 H new ATOM 0 HG3 MET A 737 16.378 -12.733 -10.134 1.00 0.00 H new ATOM 0 HE1 MET A 737 13.458 -10.613 -9.095 1.00 0.00 H new ATOM 0 HE2 MET A 737 13.935 -12.251 -9.600 1.00 0.00 H new ATOM 0 HE3 MET A 737 13.561 -11.921 -7.892 1.00 0.00 H new ATOM 318 N ALA A 738 15.608 -17.091 -8.392 1.00 0.00 N ATOM 319 CA ALA A 738 15.053 -18.264 -7.730 1.00 0.00 C ATOM 320 C ALA A 738 15.988 -19.463 -7.855 1.00 0.00 C ATOM 321 O ALA A 738 15.847 -20.455 -7.136 1.00 0.00 O ATOM 322 CB ALA A 738 13.692 -18.593 -8.320 1.00 0.00 C ATOM 0 H ALA A 738 15.291 -16.965 -9.353 1.00 0.00 H new ATOM 0 HA ALA A 738 14.940 -18.038 -6.670 1.00 0.00 H new ATOM 0 HB1 ALA A 738 13.282 -19.471 -7.821 1.00 0.00 H new ATOM 0 HB2 ALA A 738 13.019 -17.747 -8.177 1.00 0.00 H new ATOM 0 HB3 ALA A 738 13.797 -18.797 -9.386 1.00 0.00 H new ATOM 328 N SER A 739 16.946 -19.364 -8.766 1.00 0.00 N ATOM 329 CA SER A 739 17.895 -20.440 -8.999 1.00 0.00 C ATOM 330 C SER A 739 19.015 -20.399 -7.959 1.00 0.00 C ATOM 331 O SER A 739 19.158 -19.419 -7.225 1.00 0.00 O ATOM 332 CB SER A 739 18.471 -20.331 -10.415 1.00 0.00 C ATOM 333 OG SER A 739 17.446 -20.442 -11.397 1.00 0.00 O ATOM 0 H SER A 739 17.086 -18.545 -9.358 1.00 0.00 H new ATOM 0 HA SER A 739 17.377 -21.394 -8.904 1.00 0.00 H new ATOM 0 HB2 SER A 739 18.986 -19.377 -10.529 1.00 0.00 H new ATOM 0 HB3 SER A 739 19.213 -21.114 -10.570 1.00 0.00 H new ATOM 0 HG SER A 739 16.836 -19.679 -11.321 1.00 0.00 H new ATOM 339 N LYS A 740 19.798 -21.471 -7.884 1.00 0.00 N ATOM 340 CA LYS A 740 20.892 -21.543 -6.921 1.00 0.00 C ATOM 341 C LYS A 740 22.207 -21.063 -7.532 1.00 0.00 C ATOM 342 O LYS A 740 23.267 -21.174 -6.918 1.00 0.00 O ATOM 343 CB LYS A 740 21.025 -22.965 -6.338 1.00 0.00 C ATOM 344 CG LYS A 740 20.975 -24.096 -7.363 1.00 0.00 C ATOM 345 CD LYS A 740 22.245 -24.193 -8.204 1.00 0.00 C ATOM 346 CE LYS A 740 23.467 -24.531 -7.358 1.00 0.00 C ATOM 347 NZ LYS A 740 23.313 -25.824 -6.641 1.00 0.00 N ATOM 0 H LYS A 740 19.697 -22.297 -8.474 1.00 0.00 H new ATOM 0 HA LYS A 740 20.654 -20.869 -6.098 1.00 0.00 H new ATOM 0 HB2 LYS A 740 21.967 -23.031 -5.794 1.00 0.00 H new ATOM 0 HB3 LYS A 740 20.227 -23.119 -5.612 1.00 0.00 H new ATOM 0 HG2 LYS A 740 20.815 -25.042 -6.845 1.00 0.00 H new ATOM 0 HG3 LYS A 740 20.120 -23.945 -8.022 1.00 0.00 H new ATOM 0 HD2 LYS A 740 22.114 -24.955 -8.972 1.00 0.00 H new ATOM 0 HD3 LYS A 740 22.411 -23.247 -8.719 1.00 0.00 H new ATOM 0 HE2 LYS A 740 24.349 -24.575 -7.997 1.00 0.00 H new ATOM 0 HE3 LYS A 740 23.637 -23.734 -6.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 24.231 -26.113 -6.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 22.623 -25.714 -5.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 22.977 -26.551 -7.304 1.00 0.00 H new ATOM 361 N LYS A 741 22.131 -20.530 -8.746 1.00 0.00 N ATOM 362 CA LYS A 741 23.289 -19.914 -9.375 1.00 0.00 C ATOM 363 C LYS A 741 23.413 -18.467 -8.932 1.00 0.00 C ATOM 364 O LYS A 741 22.464 -17.695 -9.043 1.00 0.00 O ATOM 365 CB LYS A 741 23.206 -19.976 -10.904 1.00 0.00 C ATOM 366 CG LYS A 741 23.649 -21.301 -11.497 1.00 0.00 C ATOM 367 CD LYS A 741 23.818 -21.191 -13.003 1.00 0.00 C ATOM 368 CE LYS A 741 24.602 -22.365 -13.561 1.00 0.00 C ATOM 369 NZ LYS A 741 24.937 -22.172 -14.997 1.00 0.00 N ATOM 0 H LYS A 741 21.282 -20.513 -9.311 1.00 0.00 H new ATOM 0 HA LYS A 741 24.170 -20.474 -9.062 1.00 0.00 H new ATOM 0 HB2 LYS A 741 22.178 -19.779 -11.209 1.00 0.00 H new ATOM 0 HB3 LYS A 741 23.821 -19.179 -11.323 1.00 0.00 H new ATOM 0 HG2 LYS A 741 24.590 -21.611 -11.043 1.00 0.00 H new ATOM 0 HG3 LYS A 741 22.914 -22.072 -11.265 1.00 0.00 H new ATOM 0 HD2 LYS A 741 22.838 -21.148 -13.478 1.00 0.00 H new ATOM 0 HD3 LYS A 741 24.331 -20.261 -13.246 1.00 0.00 H new ATOM 0 HE2 LYS A 741 25.520 -22.495 -12.988 1.00 0.00 H new ATOM 0 HE3 LYS A 741 24.021 -23.279 -13.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 741 25.472 -22.994 -15.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 741 24.060 -22.073 -15.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 741 25.513 -21.313 -15.107 1.00 0.00 H new ATOM 383 N MET A 742 24.583 -18.104 -8.434 1.00 0.00 N ATOM 384 CA MET A 742 24.828 -16.746 -7.971 1.00 0.00 C ATOM 385 C MET A 742 25.161 -15.828 -9.136 1.00 0.00 C ATOM 386 O MET A 742 25.075 -14.607 -9.019 1.00 0.00 O ATOM 387 CB MET A 742 25.965 -16.729 -6.949 1.00 0.00 C ATOM 388 CG MET A 742 25.612 -17.400 -5.632 1.00 0.00 C ATOM 389 SD MET A 742 24.281 -16.553 -4.753 1.00 0.00 S ATOM 390 CE MET A 742 25.044 -14.969 -4.406 1.00 0.00 C ATOM 0 H MET A 742 25.381 -18.732 -8.339 1.00 0.00 H new ATOM 0 HA MET A 742 23.918 -16.382 -7.494 1.00 0.00 H new ATOM 0 HB2 MET A 742 26.835 -17.226 -7.378 1.00 0.00 H new ATOM 0 HB3 MET A 742 26.252 -15.696 -6.755 1.00 0.00 H new ATOM 0 HG2 MET A 742 25.317 -18.432 -5.822 1.00 0.00 H new ATOM 0 HG3 MET A 742 26.497 -17.433 -4.997 1.00 0.00 H new ATOM 0 HE1 MET A 742 24.513 -14.481 -3.589 1.00 0.00 H new ATOM 0 HE2 MET A 742 26.086 -15.121 -4.123 1.00 0.00 H new ATOM 0 HE3 MET A 742 24.998 -14.340 -5.295 1.00 0.00 H new ATOM 400 N GLN A 743 25.535 -16.420 -10.263 1.00 0.00 N ATOM 401 CA GLN A 743 25.918 -15.651 -11.439 1.00 0.00 C ATOM 402 C GLN A 743 25.348 -16.282 -12.704 1.00 0.00 C ATOM 403 O GLN A 743 25.382 -17.504 -12.867 1.00 0.00 O ATOM 404 CB GLN A 743 27.441 -15.548 -11.548 1.00 0.00 C ATOM 405 CG GLN A 743 28.088 -14.806 -10.388 1.00 0.00 C ATOM 406 CD GLN A 743 29.601 -14.770 -10.472 1.00 0.00 C ATOM 407 OE1 GLN A 743 30.287 -14.745 -9.449 1.00 0.00 O ATOM 408 NE2 GLN A 743 30.136 -14.760 -11.681 1.00 0.00 N ATOM 0 H GLN A 743 25.581 -17.431 -10.387 1.00 0.00 H new ATOM 0 HA GLN A 743 25.507 -14.647 -11.332 1.00 0.00 H new ATOM 0 HB2 GLN A 743 27.861 -16.552 -11.605 1.00 0.00 H new ATOM 0 HB3 GLN A 743 27.696 -15.042 -12.479 1.00 0.00 H new ATOM 0 HG2 GLN A 743 27.708 -13.785 -10.361 1.00 0.00 H new ATOM 0 HG3 GLN A 743 27.794 -15.281 -9.452 1.00 0.00 H new ATOM 0 HE21 GLN A 743 29.535 -14.782 -12.505 1.00 0.00 H new ATOM 0 HE22 GLN A 743 31.150 -14.731 -11.790 1.00 0.00 H new ATOM 417 N LEU A 744 24.813 -15.444 -13.581 1.00 0.00 N ATOM 418 CA LEU A 744 24.255 -15.894 -14.849 1.00 0.00 C ATOM 419 C LEU A 744 24.989 -15.235 -16.006 1.00 0.00 C ATOM 420 O LEU A 744 24.879 -14.024 -16.217 1.00 0.00 O ATOM 421 CB LEU A 744 22.761 -15.564 -14.929 1.00 0.00 C ATOM 422 CG LEU A 744 22.026 -16.109 -16.158 1.00 0.00 C ATOM 423 CD1 LEU A 744 22.048 -17.630 -16.169 1.00 0.00 C ATOM 424 CD2 LEU A 744 20.592 -15.601 -16.189 1.00 0.00 C ATOM 0 H LEU A 744 24.753 -14.436 -13.435 1.00 0.00 H new ATOM 0 HA LEU A 744 24.378 -16.975 -14.914 1.00 0.00 H new ATOM 0 HB2 LEU A 744 22.273 -15.952 -14.035 1.00 0.00 H new ATOM 0 HB3 LEU A 744 22.645 -14.480 -14.910 1.00 0.00 H new ATOM 0 HG LEU A 744 22.542 -15.752 -17.049 1.00 0.00 H new ATOM 0 HD11 LEU A 744 21.520 -17.995 -17.050 1.00 0.00 H new ATOM 0 HD12 LEU A 744 23.080 -17.979 -16.194 1.00 0.00 H new ATOM 0 HD13 LEU A 744 21.559 -18.007 -15.271 1.00 0.00 H new ATOM 0 HD21 LEU A 744 20.084 -15.998 -17.068 1.00 0.00 H new ATOM 0 HD22 LEU A 744 20.070 -15.929 -15.290 1.00 0.00 H new ATOM 0 HD23 LEU A 744 20.593 -14.512 -16.231 1.00 0.00 H new ATOM 436 N GLU A 745 25.758 -16.028 -16.728 1.00 0.00 N ATOM 437 CA GLU A 745 26.506 -15.532 -17.873 1.00 0.00 C ATOM 438 C GLU A 745 25.675 -15.650 -19.143 1.00 0.00 C ATOM 439 O GLU A 745 25.375 -16.757 -19.598 1.00 0.00 O ATOM 440 CB GLU A 745 27.818 -16.300 -18.060 1.00 0.00 C ATOM 441 CG GLU A 745 28.508 -16.688 -16.762 1.00 0.00 C ATOM 442 CD GLU A 745 28.123 -18.079 -16.298 1.00 0.00 C ATOM 443 OE1 GLU A 745 26.977 -18.270 -15.844 1.00 0.00 O ATOM 444 OE2 GLU A 745 28.966 -18.994 -16.396 1.00 0.00 O ATOM 0 H GLU A 745 25.883 -17.023 -16.542 1.00 0.00 H new ATOM 0 HA GLU A 745 26.738 -14.485 -17.680 1.00 0.00 H new ATOM 0 HB2 GLU A 745 27.617 -17.204 -18.635 1.00 0.00 H new ATOM 0 HB3 GLU A 745 28.501 -15.691 -18.652 1.00 0.00 H new ATOM 0 HG2 GLU A 745 29.588 -16.639 -16.899 1.00 0.00 H new ATOM 0 HG3 GLU A 745 28.252 -15.965 -15.987 1.00 0.00 H new ATOM 451 N PHE A 746 25.303 -14.511 -19.707 1.00 0.00 N ATOM 452 CA PHE A 746 24.574 -14.485 -20.965 1.00 0.00 C ATOM 453 C PHE A 746 25.548 -14.599 -22.134 1.00 0.00 C ATOM 454 O PHE A 746 26.713 -14.227 -22.005 1.00 0.00 O ATOM 455 CB PHE A 746 23.764 -13.192 -21.091 1.00 0.00 C ATOM 456 CG PHE A 746 22.580 -13.113 -20.165 1.00 0.00 C ATOM 457 CD1 PHE A 746 22.714 -12.607 -18.882 1.00 0.00 C ATOM 458 CD2 PHE A 746 21.328 -13.533 -20.589 1.00 0.00 C ATOM 459 CE1 PHE A 746 21.623 -12.526 -18.038 1.00 0.00 C ATOM 460 CE2 PHE A 746 20.233 -13.451 -19.750 1.00 0.00 C ATOM 461 CZ PHE A 746 20.381 -12.947 -18.473 1.00 0.00 C ATOM 0 H PHE A 746 25.495 -13.590 -19.312 1.00 0.00 H new ATOM 0 HA PHE A 746 23.887 -15.331 -20.984 1.00 0.00 H new ATOM 0 HB2 PHE A 746 24.421 -12.344 -20.896 1.00 0.00 H new ATOM 0 HB3 PHE A 746 23.414 -13.094 -22.119 1.00 0.00 H new ATOM 0 HD1 PHE A 746 23.682 -12.272 -18.538 1.00 0.00 H new ATOM 0 HD2 PHE A 746 21.207 -13.929 -21.587 1.00 0.00 H new ATOM 0 HE1 PHE A 746 21.741 -12.134 -17.039 1.00 0.00 H new ATOM 0 HE2 PHE A 746 19.263 -13.781 -20.092 1.00 0.00 H new ATOM 0 HZ PHE A 746 19.527 -12.882 -17.815 1.00 0.00 H new ATOM 471 N PRO A 747 25.093 -15.125 -23.283 1.00 0.00 N ATOM 472 CA PRO A 747 25.933 -15.251 -24.480 1.00 0.00 C ATOM 473 C PRO A 747 26.308 -13.891 -25.077 1.00 0.00 C ATOM 474 O PRO A 747 25.603 -12.900 -24.882 1.00 0.00 O ATOM 475 CB PRO A 747 25.054 -16.034 -25.469 1.00 0.00 C ATOM 476 CG PRO A 747 23.931 -16.589 -24.659 1.00 0.00 C ATOM 477 CD PRO A 747 23.740 -15.647 -23.510 1.00 0.00 C ATOM 0 HA PRO A 747 26.880 -15.740 -24.251 1.00 0.00 H new ATOM 0 HB2 PRO A 747 24.682 -15.384 -26.261 1.00 0.00 H new ATOM 0 HB3 PRO A 747 25.621 -16.831 -25.950 1.00 0.00 H new ATOM 0 HG2 PRO A 747 23.022 -16.666 -25.255 1.00 0.00 H new ATOM 0 HG3 PRO A 747 24.165 -17.593 -24.305 1.00 0.00 H new ATOM 0 HD2 PRO A 747 23.036 -14.851 -23.753 1.00 0.00 H new ATOM 0 HD3 PRO A 747 23.352 -16.158 -22.629 1.00 0.00 H new ATOM 485 N PRO A 748 27.425 -13.828 -25.824 1.00 0.00 N ATOM 486 CA PRO A 748 27.863 -12.598 -26.502 1.00 0.00 C ATOM 487 C PRO A 748 26.926 -12.196 -27.643 1.00 0.00 C ATOM 488 O PRO A 748 27.062 -11.121 -28.228 1.00 0.00 O ATOM 489 CB PRO A 748 29.243 -12.965 -27.053 1.00 0.00 C ATOM 490 CG PRO A 748 29.234 -14.451 -27.163 1.00 0.00 C ATOM 491 CD PRO A 748 28.360 -14.945 -26.046 1.00 0.00 C ATOM 0 HA PRO A 748 27.872 -11.744 -25.825 1.00 0.00 H new ATOM 0 HB2 PRO A 748 29.417 -12.499 -28.023 1.00 0.00 H new ATOM 0 HB3 PRO A 748 30.037 -12.624 -26.388 1.00 0.00 H new ATOM 0 HG2 PRO A 748 28.846 -14.768 -28.131 1.00 0.00 H new ATOM 0 HG3 PRO A 748 30.243 -14.855 -27.076 1.00 0.00 H new ATOM 0 HD2 PRO A 748 27.835 -15.860 -26.321 1.00 0.00 H new ATOM 0 HD3 PRO A 748 28.940 -15.167 -25.150 1.00 0.00 H new ATOM 499 N SER A 749 25.979 -13.077 -27.948 1.00 0.00 N ATOM 500 CA SER A 749 24.996 -12.849 -28.998 1.00 0.00 C ATOM 501 C SER A 749 24.092 -11.656 -28.673 1.00 0.00 C ATOM 502 O SER A 749 23.455 -11.087 -29.563 1.00 0.00 O ATOM 503 CB SER A 749 24.157 -14.113 -29.177 1.00 0.00 C ATOM 504 OG SER A 749 24.989 -15.259 -29.252 1.00 0.00 O ATOM 0 H SER A 749 25.872 -13.972 -27.471 1.00 0.00 H new ATOM 0 HA SER A 749 25.523 -12.616 -29.924 1.00 0.00 H new ATOM 0 HB2 SER A 749 23.462 -14.216 -28.343 1.00 0.00 H new ATOM 0 HB3 SER A 749 23.557 -14.032 -30.084 1.00 0.00 H new ATOM 0 HG SER A 749 24.434 -16.059 -29.365 1.00 0.00 H new ATOM 510 N LEU A 750 24.031 -11.293 -27.395 1.00 0.00 N ATOM 511 CA LEU A 750 23.271 -10.129 -26.953 1.00 0.00 C ATOM 512 C LEU A 750 23.853 -8.853 -27.559 1.00 0.00 C ATOM 513 O LEU A 750 25.032 -8.558 -27.376 1.00 0.00 O ATOM 514 CB LEU A 750 23.290 -10.025 -25.423 1.00 0.00 C ATOM 515 CG LEU A 750 22.270 -10.896 -24.678 1.00 0.00 C ATOM 516 CD1 LEU A 750 22.535 -12.379 -24.896 1.00 0.00 C ATOM 517 CD2 LEU A 750 22.282 -10.560 -23.197 1.00 0.00 C ATOM 0 H LEU A 750 24.503 -11.793 -26.642 1.00 0.00 H new ATOM 0 HA LEU A 750 22.241 -10.247 -27.289 1.00 0.00 H new ATOM 0 HB2 LEU A 750 24.288 -10.289 -25.073 1.00 0.00 H new ATOM 0 HB3 LEU A 750 23.120 -8.984 -25.147 1.00 0.00 H new ATOM 0 HG LEU A 750 21.281 -10.680 -25.082 1.00 0.00 H new ATOM 0 HD11 LEU A 750 21.793 -12.965 -24.353 1.00 0.00 H new ATOM 0 HD12 LEU A 750 22.471 -12.608 -25.960 1.00 0.00 H new ATOM 0 HD13 LEU A 750 23.531 -12.628 -24.531 1.00 0.00 H new ATOM 0 HD21 LEU A 750 21.555 -11.183 -22.677 1.00 0.00 H new ATOM 0 HD22 LEU A 750 23.276 -10.745 -22.790 1.00 0.00 H new ATOM 0 HD23 LEU A 750 22.024 -9.510 -23.060 1.00 0.00 H new ATOM 529 N ASN A 751 23.028 -8.105 -28.280 1.00 0.00 N ATOM 530 CA ASN A 751 23.473 -6.859 -28.893 1.00 0.00 C ATOM 531 C ASN A 751 23.376 -5.725 -27.876 1.00 0.00 C ATOM 532 O ASN A 751 23.001 -5.959 -26.724 1.00 0.00 O ATOM 533 CB ASN A 751 22.648 -6.548 -30.159 1.00 0.00 C ATOM 534 CG ASN A 751 21.397 -5.711 -29.910 1.00 0.00 C ATOM 535 OD1 ASN A 751 21.422 -4.485 -30.021 1.00 0.00 O ATOM 536 ND2 ASN A 751 20.295 -6.355 -29.567 1.00 0.00 N ATOM 0 H ASN A 751 22.050 -8.338 -28.455 1.00 0.00 H new ATOM 0 HA ASN A 751 24.514 -6.963 -29.200 1.00 0.00 H new ATOM 0 HB2 ASN A 751 23.284 -6.024 -30.872 1.00 0.00 H new ATOM 0 HB3 ASN A 751 22.354 -7.488 -30.625 1.00 0.00 H new ATOM 0 HD21 ASN A 751 19.436 -5.836 -29.387 1.00 0.00 H new ATOM 0 HD22 ASN A 751 20.304 -7.371 -29.483 1.00 0.00 H new ATOM 543 N SER A 752 23.723 -4.509 -28.297 1.00 0.00 N ATOM 544 CA SER A 752 23.671 -3.336 -27.428 1.00 0.00 C ATOM 545 C SER A 752 22.330 -3.245 -26.692 1.00 0.00 C ATOM 546 O SER A 752 22.293 -3.046 -25.479 1.00 0.00 O ATOM 547 CB SER A 752 23.894 -2.068 -28.259 1.00 0.00 C ATOM 548 OG SER A 752 25.062 -2.177 -29.058 1.00 0.00 O ATOM 0 H SER A 752 24.046 -4.311 -29.244 1.00 0.00 H new ATOM 0 HA SER A 752 24.460 -3.431 -26.682 1.00 0.00 H new ATOM 0 HB2 SER A 752 23.028 -1.892 -28.898 1.00 0.00 H new ATOM 0 HB3 SER A 752 23.982 -1.207 -27.597 1.00 0.00 H new ATOM 0 HG SER A 752 25.180 -1.355 -29.579 1.00 0.00 H new ATOM 554 N HIS A 753 21.242 -3.430 -27.433 1.00 0.00 N ATOM 555 CA HIS A 753 19.900 -3.334 -26.874 1.00 0.00 C ATOM 556 C HIS A 753 19.578 -4.526 -25.974 1.00 0.00 C ATOM 557 O HIS A 753 18.918 -4.364 -24.948 1.00 0.00 O ATOM 558 CB HIS A 753 18.862 -3.216 -27.994 1.00 0.00 C ATOM 559 CG HIS A 753 18.924 -1.908 -28.725 1.00 0.00 C ATOM 560 ND1 HIS A 753 19.417 -1.755 -30.004 1.00 0.00 N ATOM 561 CD2 HIS A 753 18.533 -0.674 -28.326 1.00 0.00 C ATOM 562 CE1 HIS A 753 19.315 -0.460 -30.330 1.00 0.00 C ATOM 563 NE2 HIS A 753 18.785 0.238 -29.346 1.00 0.00 N ATOM 0 H HIS A 753 21.266 -3.649 -28.429 1.00 0.00 H new ATOM 0 HA HIS A 753 19.862 -2.435 -26.259 1.00 0.00 H new ATOM 0 HB2 HIS A 753 19.011 -4.029 -28.705 1.00 0.00 H new ATOM 0 HB3 HIS A 753 17.865 -3.341 -27.571 1.00 0.00 H new ATOM 0 HD2 HIS A 753 18.095 -0.436 -27.368 1.00 0.00 H new ATOM 0 HE1 HIS A 753 19.627 -0.042 -31.276 1.00 0.00 H new ATOM 0 HE2 HIS A 753 18.598 1.241 -29.334 1.00 0.00 H new ATOM 571 N ASP A 754 20.051 -5.716 -26.346 1.00 0.00 N ATOM 572 CA ASP A 754 19.822 -6.911 -25.529 1.00 0.00 C ATOM 573 C ASP A 754 20.434 -6.718 -24.152 1.00 0.00 C ATOM 574 O ASP A 754 19.778 -6.924 -23.128 1.00 0.00 O ATOM 575 CB ASP A 754 20.429 -8.171 -26.159 1.00 0.00 C ATOM 576 CG ASP A 754 19.721 -8.645 -27.412 1.00 0.00 C ATOM 577 OD1 ASP A 754 18.520 -8.970 -27.346 1.00 0.00 O ATOM 578 OD2 ASP A 754 20.376 -8.713 -28.472 1.00 0.00 O ATOM 0 H ASP A 754 20.589 -5.879 -27.197 1.00 0.00 H new ATOM 0 HA ASP A 754 18.743 -7.048 -25.459 1.00 0.00 H new ATOM 0 HB2 ASP A 754 21.474 -7.976 -26.398 1.00 0.00 H new ATOM 0 HB3 ASP A 754 20.415 -8.974 -25.422 1.00 0.00 H new ATOM 583 N ARG A 755 21.699 -6.313 -24.140 1.00 0.00 N ATOM 584 CA ARG A 755 22.408 -6.051 -22.900 1.00 0.00 C ATOM 585 C ARG A 755 21.717 -4.937 -22.125 1.00 0.00 C ATOM 586 O ARG A 755 21.506 -5.057 -20.924 1.00 0.00 O ATOM 587 CB ARG A 755 23.865 -5.664 -23.178 1.00 0.00 C ATOM 588 CG ARG A 755 24.656 -6.718 -23.939 1.00 0.00 C ATOM 589 CD ARG A 755 26.091 -6.264 -24.165 1.00 0.00 C ATOM 590 NE ARG A 755 26.866 -7.212 -24.970 1.00 0.00 N ATOM 591 CZ ARG A 755 27.356 -6.937 -26.185 1.00 0.00 C ATOM 592 NH1 ARG A 755 27.134 -5.752 -26.746 1.00 0.00 N ATOM 593 NH2 ARG A 755 28.076 -7.846 -26.835 1.00 0.00 N ATOM 0 H ARG A 755 22.254 -6.159 -24.982 1.00 0.00 H new ATOM 0 HA ARG A 755 22.398 -6.963 -22.303 1.00 0.00 H new ATOM 0 HB2 ARG A 755 23.880 -4.734 -23.746 1.00 0.00 H new ATOM 0 HB3 ARG A 755 24.364 -5.466 -22.229 1.00 0.00 H new ATOM 0 HG2 ARG A 755 24.650 -7.655 -23.382 1.00 0.00 H new ATOM 0 HG3 ARG A 755 24.178 -6.915 -24.898 1.00 0.00 H new ATOM 0 HD2 ARG A 755 26.086 -5.293 -24.660 1.00 0.00 H new ATOM 0 HD3 ARG A 755 26.580 -6.128 -23.201 1.00 0.00 H new ATOM 0 HE ARG A 755 27.043 -8.138 -24.581 1.00 0.00 H new ATOM 0 HH11 ARG A 755 26.588 -5.047 -26.250 1.00 0.00 H new ATOM 0 HH12 ARG A 755 27.510 -5.548 -27.672 1.00 0.00 H new ATOM 0 HH21 ARG A 755 28.256 -8.755 -26.408 1.00 0.00 H new ATOM 0 HH22 ARG A 755 28.449 -7.635 -27.761 1.00 0.00 H new ATOM 607 N LEU A 756 21.352 -3.866 -22.835 1.00 0.00 N ATOM 608 CA LEU A 756 20.684 -2.710 -22.232 1.00 0.00 C ATOM 609 C LEU A 756 19.452 -3.140 -21.443 1.00 0.00 C ATOM 610 O LEU A 756 19.206 -2.650 -20.336 1.00 0.00 O ATOM 611 CB LEU A 756 20.282 -1.711 -23.322 1.00 0.00 C ATOM 612 CG LEU A 756 19.631 -0.417 -22.826 1.00 0.00 C ATOM 613 CD1 LEU A 756 20.613 0.395 -21.995 1.00 0.00 C ATOM 614 CD2 LEU A 756 19.116 0.403 -24.000 1.00 0.00 C ATOM 0 H LEU A 756 21.510 -3.776 -23.839 1.00 0.00 H new ATOM 0 HA LEU A 756 21.382 -2.234 -21.544 1.00 0.00 H new ATOM 0 HB2 LEU A 756 21.170 -1.452 -23.898 1.00 0.00 H new ATOM 0 HB3 LEU A 756 19.592 -2.205 -24.006 1.00 0.00 H new ATOM 0 HG LEU A 756 18.785 -0.680 -22.191 1.00 0.00 H new ATOM 0 HD11 LEU A 756 20.130 1.310 -21.653 1.00 0.00 H new ATOM 0 HD12 LEU A 756 20.932 -0.191 -21.133 1.00 0.00 H new ATOM 0 HD13 LEU A 756 21.481 0.649 -22.603 1.00 0.00 H new ATOM 0 HD21 LEU A 756 18.656 1.319 -23.630 1.00 0.00 H new ATOM 0 HD22 LEU A 756 19.946 0.654 -24.660 1.00 0.00 H new ATOM 0 HD23 LEU A 756 18.376 -0.177 -24.552 1.00 0.00 H new ATOM 626 N ARG A 757 18.683 -4.056 -22.022 1.00 0.00 N ATOM 627 CA ARG A 757 17.520 -4.618 -21.346 1.00 0.00 C ATOM 628 C ARG A 757 17.945 -5.282 -20.042 1.00 0.00 C ATOM 629 O ARG A 757 17.432 -4.951 -18.977 1.00 0.00 O ATOM 630 CB ARG A 757 16.809 -5.634 -22.249 1.00 0.00 C ATOM 631 CG ARG A 757 16.188 -5.020 -23.496 1.00 0.00 C ATOM 632 CD ARG A 757 14.885 -4.296 -23.186 1.00 0.00 C ATOM 633 NE ARG A 757 13.764 -5.227 -23.044 1.00 0.00 N ATOM 634 CZ ARG A 757 12.491 -4.899 -23.264 1.00 0.00 C ATOM 635 NH1 ARG A 757 12.154 -3.641 -23.518 1.00 0.00 N ATOM 636 NH2 ARG A 757 11.548 -5.826 -23.203 1.00 0.00 N ATOM 0 H ARG A 757 18.845 -4.425 -22.959 1.00 0.00 H new ATOM 0 HA ARG A 757 16.824 -3.809 -21.123 1.00 0.00 H new ATOM 0 HB2 ARG A 757 17.523 -6.400 -22.550 1.00 0.00 H new ATOM 0 HB3 ARG A 757 16.029 -6.133 -21.674 1.00 0.00 H new ATOM 0 HG2 ARG A 757 16.893 -4.321 -23.946 1.00 0.00 H new ATOM 0 HG3 ARG A 757 16.002 -5.803 -24.231 1.00 0.00 H new ATOM 0 HD2 ARG A 757 14.999 -3.722 -22.267 1.00 0.00 H new ATOM 0 HD3 ARG A 757 14.667 -3.584 -23.982 1.00 0.00 H new ATOM 0 HE ARG A 757 13.970 -6.185 -22.759 1.00 0.00 H new ATOM 0 HH11 ARG A 757 12.871 -2.917 -23.546 1.00 0.00 H new ATOM 0 HH12 ARG A 757 11.177 -3.398 -23.685 1.00 0.00 H new ATOM 0 HH21 ARG A 757 11.795 -6.792 -22.988 1.00 0.00 H new ATOM 0 HH22 ARG A 757 10.574 -5.574 -23.371 1.00 0.00 H new ATOM 650 N VAL A 758 18.912 -6.191 -20.138 1.00 0.00 N ATOM 651 CA VAL A 758 19.409 -6.916 -18.971 1.00 0.00 C ATOM 652 C VAL A 758 19.912 -5.958 -17.892 1.00 0.00 C ATOM 653 O VAL A 758 19.543 -6.089 -16.723 1.00 0.00 O ATOM 654 CB VAL A 758 20.544 -7.892 -19.349 1.00 0.00 C ATOM 655 CG1 VAL A 758 21.026 -8.658 -18.127 1.00 0.00 C ATOM 656 CG2 VAL A 758 20.081 -8.856 -20.425 1.00 0.00 C ATOM 0 H VAL A 758 19.368 -6.444 -21.015 1.00 0.00 H new ATOM 0 HA VAL A 758 18.567 -7.487 -18.579 1.00 0.00 H new ATOM 0 HB VAL A 758 21.377 -7.308 -19.740 1.00 0.00 H new ATOM 0 HG11 VAL A 758 21.826 -9.340 -18.417 1.00 0.00 H new ATOM 0 HG12 VAL A 758 21.400 -7.956 -17.382 1.00 0.00 H new ATOM 0 HG13 VAL A 758 20.198 -9.228 -17.705 1.00 0.00 H new ATOM 0 HG21 VAL A 758 20.894 -9.536 -20.679 1.00 0.00 H new ATOM 0 HG22 VAL A 758 19.230 -9.429 -20.058 1.00 0.00 H new ATOM 0 HG23 VAL A 758 19.786 -8.296 -21.313 1.00 0.00 H new ATOM 666 N HIS A 759 20.742 -4.992 -18.293 1.00 0.00 N ATOM 667 CA HIS A 759 21.295 -4.010 -17.360 1.00 0.00 C ATOM 668 C HIS A 759 20.179 -3.299 -16.607 1.00 0.00 C ATOM 669 O HIS A 759 20.144 -3.310 -15.379 1.00 0.00 O ATOM 670 CB HIS A 759 22.163 -2.963 -18.080 1.00 0.00 C ATOM 671 CG HIS A 759 23.463 -3.481 -18.629 1.00 0.00 C ATOM 672 ND1 HIS A 759 24.490 -3.865 -17.805 1.00 0.00 N ATOM 673 CD2 HIS A 759 23.859 -3.622 -19.913 1.00 0.00 C ATOM 674 CE1 HIS A 759 25.480 -4.228 -18.597 1.00 0.00 C ATOM 675 NE2 HIS A 759 25.149 -4.095 -19.890 1.00 0.00 N ATOM 0 H HIS A 759 21.046 -4.870 -19.259 1.00 0.00 H new ATOM 0 HA HIS A 759 21.924 -4.557 -16.658 1.00 0.00 H new ATOM 0 HB2 HIS A 759 21.585 -2.536 -18.899 1.00 0.00 H new ATOM 0 HB3 HIS A 759 22.378 -2.152 -17.385 1.00 0.00 H new ATOM 0 HD1 HIS A 759 24.488 -3.869 -16.785 1.00 0.00 H new ATOM 0 HD2 HIS A 759 23.272 -3.404 -20.793 1.00 0.00 H new ATOM 0 HE1 HIS A 759 26.437 -4.587 -18.248 1.00 0.00 H new ATOM 683 N GLN A 760 19.250 -2.706 -17.349 1.00 0.00 N ATOM 684 CA GLN A 760 18.168 -1.934 -16.753 1.00 0.00 C ATOM 685 C GLN A 760 17.239 -2.797 -15.902 1.00 0.00 C ATOM 686 O GLN A 760 16.697 -2.329 -14.901 1.00 0.00 O ATOM 687 CB GLN A 760 17.371 -1.218 -17.838 1.00 0.00 C ATOM 688 CG GLN A 760 18.113 -0.043 -18.444 1.00 0.00 C ATOM 689 CD GLN A 760 17.244 0.777 -19.376 1.00 0.00 C ATOM 690 OE1 GLN A 760 16.024 0.839 -19.216 1.00 0.00 O ATOM 691 NE2 GLN A 760 17.866 1.428 -20.344 1.00 0.00 N ATOM 0 H GLN A 760 19.226 -2.746 -18.368 1.00 0.00 H new ATOM 0 HA GLN A 760 18.624 -1.199 -16.091 1.00 0.00 H new ATOM 0 HB2 GLN A 760 17.122 -1.929 -18.626 1.00 0.00 H new ATOM 0 HB3 GLN A 760 16.429 -0.867 -17.417 1.00 0.00 H new ATOM 0 HG2 GLN A 760 18.487 0.597 -17.645 1.00 0.00 H new ATOM 0 HG3 GLN A 760 18.981 -0.410 -18.991 1.00 0.00 H new ATOM 0 HE21 GLN A 760 18.878 1.350 -20.442 1.00 0.00 H new ATOM 0 HE22 GLN A 760 17.334 2.008 -20.992 1.00 0.00 H new ATOM 700 N ILE A 761 17.048 -4.046 -16.297 1.00 0.00 N ATOM 701 CA ILE A 761 16.211 -4.956 -15.524 1.00 0.00 C ATOM 702 C ILE A 761 16.896 -5.325 -14.209 1.00 0.00 C ATOM 703 O ILE A 761 16.292 -5.231 -13.143 1.00 0.00 O ATOM 704 CB ILE A 761 15.852 -6.235 -16.317 1.00 0.00 C ATOM 705 CG1 ILE A 761 14.979 -5.873 -17.521 1.00 0.00 C ATOM 706 CG2 ILE A 761 15.128 -7.239 -15.427 1.00 0.00 C ATOM 707 CD1 ILE A 761 14.750 -7.024 -18.478 1.00 0.00 C ATOM 0 H ILE A 761 17.456 -4.452 -17.139 1.00 0.00 H new ATOM 0 HA ILE A 761 15.279 -4.432 -15.309 1.00 0.00 H new ATOM 0 HB ILE A 761 16.776 -6.695 -16.669 1.00 0.00 H new ATOM 0 HG12 ILE A 761 14.014 -5.513 -17.163 1.00 0.00 H new ATOM 0 HG13 ILE A 761 15.446 -5.050 -18.062 1.00 0.00 H new ATOM 0 HG21 ILE A 761 14.886 -8.130 -16.006 1.00 0.00 H new ATOM 0 HG22 ILE A 761 15.771 -7.514 -14.591 1.00 0.00 H new ATOM 0 HG23 ILE A 761 14.209 -6.792 -15.047 1.00 0.00 H new ATOM 0 HD11 ILE A 761 14.123 -6.690 -19.305 1.00 0.00 H new ATOM 0 HD12 ILE A 761 15.708 -7.371 -18.866 1.00 0.00 H new ATOM 0 HD13 ILE A 761 14.254 -7.840 -17.953 1.00 0.00 H new ATOM 719 N ALA A 762 18.166 -5.714 -14.283 1.00 0.00 N ATOM 720 CA ALA A 762 18.931 -6.041 -13.084 1.00 0.00 C ATOM 721 C ALA A 762 19.077 -4.809 -12.198 1.00 0.00 C ATOM 722 O ALA A 762 19.073 -4.903 -10.969 1.00 0.00 O ATOM 723 CB ALA A 762 20.295 -6.599 -13.461 1.00 0.00 C ATOM 0 H ALA A 762 18.685 -5.810 -15.156 1.00 0.00 H new ATOM 0 HA ALA A 762 18.393 -6.805 -12.523 1.00 0.00 H new ATOM 0 HB1 ALA A 762 20.853 -6.838 -12.556 1.00 0.00 H new ATOM 0 HB2 ALA A 762 20.166 -7.502 -14.057 1.00 0.00 H new ATOM 0 HB3 ALA A 762 20.844 -5.857 -14.041 1.00 0.00 H new ATOM 729 N GLU A 763 19.191 -3.657 -12.844 1.00 0.00 N ATOM 730 CA GLU A 763 19.272 -2.370 -12.166 1.00 0.00 C ATOM 731 C GLU A 763 17.976 -2.077 -11.408 1.00 0.00 C ATOM 732 O GLU A 763 17.996 -1.510 -10.313 1.00 0.00 O ATOM 733 CB GLU A 763 19.567 -1.284 -13.209 1.00 0.00 C ATOM 734 CG GLU A 763 19.796 0.110 -12.653 1.00 0.00 C ATOM 735 CD GLU A 763 20.333 1.056 -13.713 1.00 0.00 C ATOM 736 OE1 GLU A 763 19.548 1.494 -14.585 1.00 0.00 O ATOM 737 OE2 GLU A 763 21.550 1.363 -13.691 1.00 0.00 O ATOM 0 H GLU A 763 19.230 -3.588 -13.861 1.00 0.00 H new ATOM 0 HA GLU A 763 20.076 -2.388 -11.431 1.00 0.00 H new ATOM 0 HB2 GLU A 763 20.449 -1.580 -13.776 1.00 0.00 H new ATOM 0 HB3 GLU A 763 18.735 -1.244 -13.912 1.00 0.00 H new ATOM 0 HG2 GLU A 763 18.860 0.502 -12.256 1.00 0.00 H new ATOM 0 HG3 GLU A 763 20.498 0.059 -11.821 1.00 0.00 H new ATOM 744 N GLU A 764 16.856 -2.477 -11.993 1.00 0.00 N ATOM 745 CA GLU A 764 15.558 -2.339 -11.344 1.00 0.00 C ATOM 746 C GLU A 764 15.452 -3.305 -10.168 1.00 0.00 C ATOM 747 O GLU A 764 15.047 -2.924 -9.070 1.00 0.00 O ATOM 748 CB GLU A 764 14.429 -2.612 -12.342 1.00 0.00 C ATOM 749 CG GLU A 764 13.038 -2.498 -11.736 1.00 0.00 C ATOM 750 CD GLU A 764 11.943 -2.917 -12.693 1.00 0.00 C ATOM 751 OE1 GLU A 764 11.547 -2.096 -13.546 1.00 0.00 O ATOM 752 OE2 GLU A 764 11.480 -4.072 -12.605 1.00 0.00 O ATOM 0 H GLU A 764 16.819 -2.902 -12.920 1.00 0.00 H new ATOM 0 HA GLU A 764 15.464 -1.317 -10.976 1.00 0.00 H new ATOM 0 HB2 GLU A 764 14.513 -1.911 -13.173 1.00 0.00 H new ATOM 0 HB3 GLU A 764 14.555 -3.613 -12.755 1.00 0.00 H new ATOM 0 HG2 GLU A 764 12.986 -3.116 -10.839 1.00 0.00 H new ATOM 0 HG3 GLU A 764 12.866 -1.468 -11.424 1.00 0.00 H new ATOM 759 N HIS A 765 15.843 -4.552 -10.407 1.00 0.00 N ATOM 760 CA HIS A 765 15.763 -5.602 -9.390 1.00 0.00 C ATOM 761 C HIS A 765 16.695 -5.306 -8.221 1.00 0.00 C ATOM 762 O HIS A 765 16.415 -5.680 -7.082 1.00 0.00 O ATOM 763 CB HIS A 765 16.101 -6.967 -10.000 1.00 0.00 C ATOM 764 CG HIS A 765 15.002 -7.550 -10.836 1.00 0.00 C ATOM 765 ND1 HIS A 765 14.555 -8.848 -10.716 1.00 0.00 N ATOM 766 CD2 HIS A 765 14.258 -6.991 -11.824 1.00 0.00 C ATOM 767 CE1 HIS A 765 13.578 -9.032 -11.613 1.00 0.00 C ATOM 768 NE2 HIS A 765 13.359 -7.935 -12.311 1.00 0.00 N ATOM 0 H HIS A 765 16.221 -4.865 -11.301 1.00 0.00 H new ATOM 0 HA HIS A 765 14.740 -5.626 -9.014 1.00 0.00 H new ATOM 0 HB2 HIS A 765 16.997 -6.868 -10.613 1.00 0.00 H new ATOM 0 HB3 HIS A 765 16.341 -7.663 -9.196 1.00 0.00 H new ATOM 0 HD1 HIS A 765 14.906 -9.545 -10.060 1.00 0.00 H new ATOM 0 HD2 HIS A 765 14.349 -5.974 -12.177 1.00 0.00 H new ATOM 0 HE1 HIS A 765 13.039 -9.958 -11.747 1.00 0.00 H new ATOM 776 N GLY A 766 17.795 -4.623 -8.505 1.00 0.00 N ATOM 777 CA GLY A 766 18.749 -4.291 -7.468 1.00 0.00 C ATOM 778 C GLY A 766 19.871 -5.303 -7.391 1.00 0.00 C ATOM 779 O GLY A 766 20.499 -5.476 -6.344 1.00 0.00 O ATOM 0 H GLY A 766 18.044 -4.293 -9.437 1.00 0.00 H new ATOM 0 HA2 GLY A 766 19.165 -3.302 -7.660 1.00 0.00 H new ATOM 0 HA3 GLY A 766 18.238 -4.241 -6.507 1.00 0.00 H new ATOM 783 N LEU A 767 20.121 -5.972 -8.506 1.00 0.00 N ATOM 784 CA LEU A 767 21.175 -6.970 -8.578 1.00 0.00 C ATOM 785 C LEU A 767 22.410 -6.357 -9.219 1.00 0.00 C ATOM 786 O LEU A 767 22.384 -5.199 -9.639 1.00 0.00 O ATOM 787 CB LEU A 767 20.714 -8.186 -9.385 1.00 0.00 C ATOM 788 CG LEU A 767 19.413 -8.832 -8.910 1.00 0.00 C ATOM 789 CD1 LEU A 767 19.037 -9.989 -9.820 1.00 0.00 C ATOM 790 CD2 LEU A 767 19.542 -9.308 -7.471 1.00 0.00 C ATOM 0 H LEU A 767 19.606 -5.840 -9.376 1.00 0.00 H new ATOM 0 HA LEU A 767 21.416 -7.302 -7.568 1.00 0.00 H new ATOM 0 HB2 LEU A 767 20.592 -7.885 -10.426 1.00 0.00 H new ATOM 0 HB3 LEU A 767 21.503 -8.938 -9.361 1.00 0.00 H new ATOM 0 HG LEU A 767 18.622 -8.083 -8.952 1.00 0.00 H new ATOM 0 HD11 LEU A 767 18.108 -10.440 -9.470 1.00 0.00 H new ATOM 0 HD12 LEU A 767 18.902 -9.622 -10.838 1.00 0.00 H new ATOM 0 HD13 LEU A 767 19.831 -10.736 -9.806 1.00 0.00 H new ATOM 0 HD21 LEU A 767 18.605 -9.765 -7.153 1.00 0.00 H new ATOM 0 HD22 LEU A 767 20.345 -10.042 -7.401 1.00 0.00 H new ATOM 0 HD23 LEU A 767 19.769 -8.459 -6.826 1.00 0.00 H new ATOM 802 N ARG A 768 23.485 -7.123 -9.301 1.00 0.00 N ATOM 803 CA ARG A 768 24.711 -6.622 -9.895 1.00 0.00 C ATOM 804 C ARG A 768 24.832 -7.113 -11.328 1.00 0.00 C ATOM 805 O ARG A 768 24.585 -8.284 -11.615 1.00 0.00 O ATOM 806 CB ARG A 768 25.931 -7.061 -9.086 1.00 0.00 C ATOM 807 CG ARG A 768 27.205 -6.327 -9.477 1.00 0.00 C ATOM 808 CD ARG A 768 28.408 -6.812 -8.688 1.00 0.00 C ATOM 809 NE ARG A 768 28.841 -8.144 -9.105 1.00 0.00 N ATOM 810 CZ ARG A 768 30.106 -8.560 -9.047 1.00 0.00 C ATOM 811 NH1 ARG A 768 31.052 -7.762 -8.559 1.00 0.00 N ATOM 812 NH2 ARG A 768 30.427 -9.775 -9.478 1.00 0.00 N ATOM 0 H ARG A 768 23.533 -8.085 -8.967 1.00 0.00 H new ATOM 0 HA ARG A 768 24.673 -5.533 -9.890 1.00 0.00 H new ATOM 0 HB2 ARG A 768 25.735 -6.896 -8.027 1.00 0.00 H new ATOM 0 HB3 ARG A 768 26.081 -8.132 -9.219 1.00 0.00 H new ATOM 0 HG2 ARG A 768 27.391 -6.466 -10.542 1.00 0.00 H new ATOM 0 HG3 ARG A 768 27.072 -5.258 -9.313 1.00 0.00 H new ATOM 0 HD2 ARG A 768 29.231 -6.108 -8.814 1.00 0.00 H new ATOM 0 HD3 ARG A 768 28.162 -6.828 -7.626 1.00 0.00 H new ATOM 0 HE ARG A 768 28.137 -8.791 -9.460 1.00 0.00 H new ATOM 0 HH11 ARG A 768 30.810 -6.828 -8.228 1.00 0.00 H new ATOM 0 HH12 ARG A 768 32.019 -8.084 -8.516 1.00 0.00 H new ATOM 0 HH21 ARG A 768 29.705 -10.390 -9.854 1.00 0.00 H new ATOM 0 HH22 ARG A 768 31.395 -10.093 -9.433 1.00 0.00 H new ATOM 826 N HIS A 769 25.204 -6.220 -12.223 1.00 0.00 N ATOM 827 CA HIS A 769 25.329 -6.555 -13.631 1.00 0.00 C ATOM 828 C HIS A 769 26.647 -6.036 -14.193 1.00 0.00 C ATOM 829 O HIS A 769 26.994 -4.866 -14.028 1.00 0.00 O ATOM 830 CB HIS A 769 24.131 -6.014 -14.426 1.00 0.00 C ATOM 831 CG HIS A 769 23.725 -4.610 -14.073 1.00 0.00 C ATOM 832 ND1 HIS A 769 23.939 -3.569 -14.933 1.00 0.00 N ATOM 833 CD2 HIS A 769 23.101 -4.143 -12.963 1.00 0.00 C ATOM 834 CE1 HIS A 769 23.448 -2.501 -14.344 1.00 0.00 C ATOM 835 NE2 HIS A 769 22.929 -2.793 -13.143 1.00 0.00 N ATOM 0 H HIS A 769 25.427 -5.250 -12.000 1.00 0.00 H new ATOM 0 HA HIS A 769 25.330 -7.641 -13.729 1.00 0.00 H new ATOM 0 HB2 HIS A 769 24.371 -6.052 -15.489 1.00 0.00 H new ATOM 0 HB3 HIS A 769 23.279 -6.675 -14.267 1.00 0.00 H new ATOM 0 HD2 HIS A 769 22.798 -4.722 -12.103 1.00 0.00 H new ATOM 0 HE1 HIS A 769 23.461 -1.511 -14.775 1.00 0.00 H new ATOM 0 HE2 HIS A 769 22.492 -2.141 -12.491 1.00 0.00 H new ATOM 843 N ASP A 770 27.393 -6.925 -14.828 1.00 0.00 N ATOM 844 CA ASP A 770 28.703 -6.588 -15.366 1.00 0.00 C ATOM 845 C ASP A 770 28.860 -7.111 -16.778 1.00 0.00 C ATOM 846 O ASP A 770 28.366 -8.186 -17.111 1.00 0.00 O ATOM 847 CB ASP A 770 29.810 -7.162 -14.472 1.00 0.00 C ATOM 848 CG ASP A 770 31.180 -7.089 -15.119 1.00 0.00 C ATOM 849 OD1 ASP A 770 31.774 -5.991 -15.141 1.00 0.00 O ATOM 850 OD2 ASP A 770 31.666 -8.129 -15.614 1.00 0.00 O ATOM 0 H ASP A 770 27.112 -7.893 -14.985 1.00 0.00 H new ATOM 0 HA ASP A 770 28.788 -5.502 -15.388 1.00 0.00 H new ATOM 0 HB2 ASP A 770 29.829 -6.617 -13.528 1.00 0.00 H new ATOM 0 HB3 ASP A 770 29.579 -8.201 -14.236 1.00 0.00 H new ATOM 855 N SER A 771 29.533 -6.342 -17.608 1.00 0.00 N ATOM 856 CA SER A 771 29.827 -6.764 -18.957 1.00 0.00 C ATOM 857 C SER A 771 31.321 -6.943 -19.138 1.00 0.00 C ATOM 858 O SER A 771 32.113 -6.047 -18.842 1.00 0.00 O ATOM 859 CB SER A 771 29.277 -5.766 -19.962 1.00 0.00 C ATOM 860 OG SER A 771 29.616 -4.432 -19.615 1.00 0.00 O ATOM 0 H SER A 771 29.888 -5.416 -17.368 1.00 0.00 H new ATOM 0 HA SER A 771 29.342 -7.724 -19.134 1.00 0.00 H new ATOM 0 HB2 SER A 771 29.668 -5.995 -20.954 1.00 0.00 H new ATOM 0 HB3 SER A 771 28.193 -5.864 -20.016 1.00 0.00 H new ATOM 0 HG SER A 771 30.464 -4.427 -19.124 1.00 0.00 H new ATOM 976 N PHE A 779 30.301 -10.330 -23.131 1.00 0.00 N ATOM 977 CA PHE A 779 28.979 -10.741 -22.708 1.00 0.00 C ATOM 978 C PHE A 779 28.619 -10.054 -21.399 1.00 0.00 C ATOM 979 O PHE A 779 29.339 -9.168 -20.936 1.00 0.00 O ATOM 980 CB PHE A 779 28.915 -12.269 -22.561 1.00 0.00 C ATOM 981 CG PHE A 779 29.953 -12.853 -21.638 1.00 0.00 C ATOM 982 CD1 PHE A 779 31.190 -13.242 -22.123 1.00 0.00 C ATOM 983 CD2 PHE A 779 29.687 -13.026 -20.289 1.00 0.00 C ATOM 984 CE1 PHE A 779 32.142 -13.788 -21.285 1.00 0.00 C ATOM 985 CE2 PHE A 779 30.635 -13.571 -19.443 1.00 0.00 C ATOM 986 CZ PHE A 779 31.864 -13.953 -19.942 1.00 0.00 C ATOM 0 HA PHE A 779 28.254 -10.445 -23.466 1.00 0.00 H new ATOM 0 HB2 PHE A 779 27.926 -12.545 -22.195 1.00 0.00 H new ATOM 0 HB3 PHE A 779 29.028 -12.721 -23.546 1.00 0.00 H new ATOM 0 HD1 PHE A 779 31.414 -13.117 -23.172 1.00 0.00 H new ATOM 0 HD2 PHE A 779 28.726 -12.731 -19.893 1.00 0.00 H new ATOM 0 HE1 PHE A 779 33.103 -14.086 -21.679 1.00 0.00 H new ATOM 0 HE2 PHE A 779 30.414 -13.698 -18.393 1.00 0.00 H new ATOM 0 HZ PHE A 779 32.606 -14.380 -19.284 1.00 0.00 H new ATOM 996 N ILE A 780 27.511 -10.454 -20.806 1.00 0.00 N ATOM 997 CA ILE A 780 27.063 -9.851 -19.567 1.00 0.00 C ATOM 998 C ILE A 780 26.796 -10.920 -18.510 1.00 0.00 C ATOM 999 O ILE A 780 26.186 -11.952 -18.792 1.00 0.00 O ATOM 1000 CB ILE A 780 25.807 -8.975 -19.796 1.00 0.00 C ATOM 1001 CG1 ILE A 780 25.315 -8.368 -18.479 1.00 0.00 C ATOM 1002 CG2 ILE A 780 24.700 -9.778 -20.467 1.00 0.00 C ATOM 1003 CD1 ILE A 780 24.155 -7.416 -18.656 1.00 0.00 C ATOM 0 H ILE A 780 26.905 -11.193 -21.162 1.00 0.00 H new ATOM 0 HA ILE A 780 27.860 -9.203 -19.201 1.00 0.00 H new ATOM 0 HB ILE A 780 26.085 -8.158 -20.462 1.00 0.00 H new ATOM 0 HG12 ILE A 780 25.017 -9.172 -17.806 1.00 0.00 H new ATOM 0 HG13 ILE A 780 26.139 -7.840 -18.000 1.00 0.00 H new ATOM 0 HG21 ILE A 780 23.828 -9.141 -20.617 1.00 0.00 H new ATOM 0 HG22 ILE A 780 25.051 -10.146 -21.431 1.00 0.00 H new ATOM 0 HG23 ILE A 780 24.428 -10.622 -19.833 1.00 0.00 H new ATOM 0 HD11 ILE A 780 23.856 -7.022 -17.685 1.00 0.00 H new ATOM 0 HD12 ILE A 780 24.455 -6.593 -19.304 1.00 0.00 H new ATOM 0 HD13 ILE A 780 23.316 -7.945 -19.107 1.00 0.00 H new ATOM 1015 N THR A 781 27.290 -10.683 -17.306 1.00 0.00 N ATOM 1016 CA THR A 781 27.116 -11.615 -16.209 1.00 0.00 C ATOM 1017 C THR A 781 26.364 -10.952 -15.063 1.00 0.00 C ATOM 1018 O THR A 781 26.844 -9.983 -14.469 1.00 0.00 O ATOM 1019 CB THR A 781 28.476 -12.127 -15.699 1.00 0.00 C ATOM 1020 OG1 THR A 781 29.255 -12.607 -16.803 1.00 0.00 O ATOM 1021 CG2 THR A 781 28.297 -13.245 -14.681 1.00 0.00 C ATOM 0 H THR A 781 27.819 -9.845 -17.064 1.00 0.00 H new ATOM 0 HA THR A 781 26.538 -12.461 -16.580 1.00 0.00 H new ATOM 0 HB THR A 781 28.991 -11.298 -15.212 1.00 0.00 H new ATOM 0 HG1 THR A 781 30.120 -12.931 -16.476 1.00 0.00 H new ATOM 0 HG21 THR A 781 29.274 -13.586 -14.339 1.00 0.00 H new ATOM 0 HG22 THR A 781 27.724 -12.875 -13.831 1.00 0.00 H new ATOM 0 HG23 THR A 781 27.764 -14.076 -15.143 1.00 0.00 H new ATOM 1029 N VAL A 782 25.180 -11.463 -14.772 1.00 0.00 N ATOM 1030 CA VAL A 782 24.363 -10.927 -13.695 1.00 0.00 C ATOM 1031 C VAL A 782 24.611 -11.714 -12.417 1.00 0.00 C ATOM 1032 O VAL A 782 24.655 -12.943 -12.444 1.00 0.00 O ATOM 1033 CB VAL A 782 22.864 -10.981 -14.054 1.00 0.00 C ATOM 1034 CG1 VAL A 782 22.014 -10.300 -12.992 1.00 0.00 C ATOM 1035 CG2 VAL A 782 22.624 -10.347 -15.410 1.00 0.00 C ATOM 0 H VAL A 782 24.762 -12.250 -15.267 1.00 0.00 H new ATOM 0 HA VAL A 782 24.643 -9.884 -13.544 1.00 0.00 H new ATOM 0 HB VAL A 782 22.568 -12.029 -14.096 1.00 0.00 H new ATOM 0 HG11 VAL A 782 20.963 -10.356 -13.276 1.00 0.00 H new ATOM 0 HG12 VAL A 782 22.158 -10.800 -12.034 1.00 0.00 H new ATOM 0 HG13 VAL A 782 22.311 -9.255 -12.904 1.00 0.00 H new ATOM 0 HG21 VAL A 782 21.562 -10.392 -15.650 1.00 0.00 H new ATOM 0 HG22 VAL A 782 22.947 -9.306 -15.387 1.00 0.00 H new ATOM 0 HG23 VAL A 782 23.191 -10.886 -16.169 1.00 0.00 H new ATOM 1045 N SER A 783 24.798 -11.012 -11.312 1.00 0.00 N ATOM 1046 CA SER A 783 25.055 -11.658 -10.039 1.00 0.00 C ATOM 1047 C SER A 783 23.943 -11.360 -9.035 1.00 0.00 C ATOM 1048 O SER A 783 23.493 -10.215 -8.911 1.00 0.00 O ATOM 1049 CB SER A 783 26.409 -11.205 -9.482 1.00 0.00 C ATOM 1050 OG SER A 783 26.964 -10.154 -10.265 1.00 0.00 O ATOM 0 H SER A 783 24.776 -9.993 -11.272 1.00 0.00 H new ATOM 0 HA SER A 783 25.080 -12.735 -10.204 1.00 0.00 H new ATOM 0 HB2 SER A 783 26.287 -10.869 -8.452 1.00 0.00 H new ATOM 0 HB3 SER A 783 27.098 -12.050 -9.462 1.00 0.00 H new ATOM 0 HG SER A 783 27.830 -10.437 -10.626 1.00 0.00 H new ATOM 1056 N LYS A 784 23.496 -12.399 -8.332 1.00 0.00 N ATOM 1057 CA LYS A 784 22.511 -12.243 -7.270 1.00 0.00 C ATOM 1058 C LYS A 784 23.103 -11.446 -6.119 1.00 0.00 C ATOM 1059 O LYS A 784 24.301 -11.535 -5.839 1.00 0.00 O ATOM 1060 CB LYS A 784 22.036 -13.603 -6.756 1.00 0.00 C ATOM 1061 CG LYS A 784 21.025 -14.297 -7.660 1.00 0.00 C ATOM 1062 CD LYS A 784 20.805 -15.754 -7.257 1.00 0.00 C ATOM 1063 CE LYS A 784 20.497 -15.910 -5.773 1.00 0.00 C ATOM 1064 NZ LYS A 784 19.217 -15.259 -5.380 1.00 0.00 N ATOM 0 H LYS A 784 23.803 -13.360 -8.482 1.00 0.00 H new ATOM 0 HA LYS A 784 21.656 -11.708 -7.683 1.00 0.00 H new ATOM 0 HB2 LYS A 784 22.902 -14.254 -6.632 1.00 0.00 H new ATOM 0 HB3 LYS A 784 21.593 -13.471 -5.769 1.00 0.00 H new ATOM 0 HG2 LYS A 784 20.076 -13.762 -7.621 1.00 0.00 H new ATOM 0 HG3 LYS A 784 21.372 -14.255 -8.692 1.00 0.00 H new ATOM 0 HD2 LYS A 784 19.983 -16.169 -7.841 1.00 0.00 H new ATOM 0 HD3 LYS A 784 21.695 -16.334 -7.503 1.00 0.00 H new ATOM 0 HE2 LYS A 784 20.452 -16.970 -5.525 1.00 0.00 H new ATOM 0 HE3 LYS A 784 21.312 -15.481 -5.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 784 19.082 -15.351 -4.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 784 19.247 -14.251 -5.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 784 18.427 -15.719 -5.876 1.00 0.00 H new