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= -0.182 K(o=0.16,f=-7.4!) USER MOD Set 1.2: A 769 HIS : no HD1:sc= 0.338 K(o=0.16,f=-7.1!) USER MOD Set 2.1: A 737 MET CE :methyl -139:sc= -0.39 (180deg=-1.16) USER MOD Set 2.2: A 765 HIS : no HE2:sc= 1.08 K(o=0.69,f=-7.4!) USER MOD Single : A 728 HIS : no HD1:sc= -0.59 K(o=-0.59,f=0.12) USER MOD Single : A 732 MET CE :methyl -173:sc= 0 (180deg=-0.0113) USER MOD Single : A 739 SER OG : rot 180:sc= -0.0697 USER MOD Single : A 740 LYS NZ :NH3+ 172:sc=-0.00476 (180deg=-0.0805) USER MOD Single : A 741 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0849) USER MOD Single : A 742 MET CE :methyl 161:sc= -0.203 (180deg=-0.738) USER MOD Single : A 743 GLN : amide:sc= -2.06 K(o=-2.1,f=0) USER MOD Single : A 749 SER OG : rot 180:sc= 0 USER MOD Single : A 751 ASN : amide:sc= 1.54 K(o=1.5,f=-5.1!) USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 753 HIS : no HD1:sc= -0.0227 X(o=-0.023,f=0) USER MOD Single : A 760 GLN : amide:sc= -0.263 K(o=-0.26,f=-3.2!) USER MOD Single : A 771 SER OG : rot 180:sc= 0 USER MOD Single : A 781 THR OG1 : rot 180:sc= -0.013 USER MOD Single : A 783 SER OG : rot -140:sc= -1.1 USER MOD Single : A 784 LYS NZ :NH3+ 180:sc= 1.27 (180deg=1.27) USER MOD ----------------------------------------------------------------- ATOM 143 N HIS A 728 11.906 -11.649 -22.435 1.00 0.00 N ATOM 144 CA HIS A 728 12.865 -12.752 -22.422 1.00 0.00 C ATOM 145 C HIS A 728 13.864 -12.598 -21.275 1.00 0.00 C ATOM 146 O HIS A 728 14.014 -13.493 -20.443 1.00 0.00 O ATOM 147 CB HIS A 728 13.612 -12.816 -23.762 1.00 0.00 C ATOM 148 CG HIS A 728 14.594 -13.943 -23.861 1.00 0.00 C ATOM 149 ND1 HIS A 728 14.297 -15.178 -24.388 1.00 0.00 N ATOM 150 CD2 HIS A 728 15.900 -13.996 -23.495 1.00 0.00 C ATOM 151 CE1 HIS A 728 15.405 -15.927 -24.328 1.00 0.00 C ATOM 152 NE2 HIS A 728 16.408 -15.254 -23.795 1.00 0.00 N ATOM 0 HA HIS A 728 12.313 -13.680 -22.272 1.00 0.00 H new ATOM 0 HB2 HIS A 728 12.884 -12.911 -24.568 1.00 0.00 H new ATOM 0 HB3 HIS A 728 14.139 -11.874 -23.918 1.00 0.00 H new ATOM 0 HD2 HIS A 728 16.456 -13.188 -23.042 1.00 0.00 H new ATOM 0 HE1 HIS A 728 15.470 -16.949 -24.671 1.00 0.00 H new ATOM 0 HE2 HIS A 728 17.359 -15.588 -23.636 1.00 0.00 H new ATOM 160 N PHE A 729 14.522 -11.450 -21.216 1.00 0.00 N ATOM 161 CA PHE A 729 15.563 -11.230 -20.226 1.00 0.00 C ATOM 162 C PHE A 729 14.951 -11.047 -18.840 1.00 0.00 C ATOM 163 O PHE A 729 15.548 -11.426 -17.837 1.00 0.00 O ATOM 164 CB PHE A 729 16.440 -10.036 -20.619 1.00 0.00 C ATOM 165 CG PHE A 729 17.202 -10.260 -21.902 1.00 0.00 C ATOM 166 CD1 PHE A 729 17.952 -11.414 -22.084 1.00 0.00 C ATOM 167 CD2 PHE A 729 17.164 -9.328 -22.931 1.00 0.00 C ATOM 168 CE1 PHE A 729 18.646 -11.630 -23.261 1.00 0.00 C ATOM 169 CE2 PHE A 729 17.856 -9.543 -24.109 1.00 0.00 C ATOM 170 CZ PHE A 729 18.596 -10.694 -24.272 1.00 0.00 C ATOM 0 H PHE A 729 14.354 -10.660 -21.839 1.00 0.00 H new ATOM 0 HA PHE A 729 16.205 -12.110 -20.191 1.00 0.00 H new ATOM 0 HB2 PHE A 729 15.813 -9.151 -20.726 1.00 0.00 H new ATOM 0 HB3 PHE A 729 17.146 -9.831 -19.815 1.00 0.00 H new ATOM 0 HD1 PHE A 729 17.994 -12.152 -21.297 1.00 0.00 H new ATOM 0 HD2 PHE A 729 16.586 -8.423 -22.810 1.00 0.00 H new ATOM 0 HE1 PHE A 729 19.227 -12.532 -23.388 1.00 0.00 H new ATOM 0 HE2 PHE A 729 17.816 -8.809 -24.901 1.00 0.00 H new ATOM 0 HZ PHE A 729 19.137 -10.863 -25.192 1.00 0.00 H new ATOM 180 N ARG A 730 13.743 -10.496 -18.796 1.00 0.00 N ATOM 181 CA ARG A 730 12.996 -10.394 -17.546 1.00 0.00 C ATOM 182 C ARG A 730 12.718 -11.789 -16.985 1.00 0.00 C ATOM 183 O ARG A 730 12.921 -12.039 -15.799 1.00 0.00 O ATOM 184 CB ARG A 730 11.683 -9.634 -17.774 1.00 0.00 C ATOM 185 CG ARG A 730 10.644 -9.812 -16.669 1.00 0.00 C ATOM 186 CD ARG A 730 11.102 -9.249 -15.327 1.00 0.00 C ATOM 187 NE ARG A 730 11.201 -7.787 -15.325 1.00 0.00 N ATOM 188 CZ ARG A 730 10.153 -6.962 -15.234 1.00 0.00 C ATOM 189 NH1 ARG A 730 8.911 -7.440 -15.223 1.00 0.00 N ATOM 190 NH2 ARG A 730 10.340 -5.653 -15.146 1.00 0.00 N ATOM 0 H ARG A 730 13.260 -10.114 -19.609 1.00 0.00 H new ATOM 0 HA ARG A 730 13.593 -9.841 -16.821 1.00 0.00 H new ATOM 0 HB2 ARG A 730 11.906 -8.572 -17.877 1.00 0.00 H new ATOM 0 HB3 ARG A 730 11.249 -9.961 -18.719 1.00 0.00 H new ATOM 0 HG2 ARG A 730 9.717 -9.321 -16.966 1.00 0.00 H new ATOM 0 HG3 ARG A 730 10.420 -10.873 -16.555 1.00 0.00 H new ATOM 0 HD2 ARG A 730 10.404 -9.562 -14.550 1.00 0.00 H new ATOM 0 HD3 ARG A 730 12.073 -9.674 -15.073 1.00 0.00 H new ATOM 0 HE ARG A 730 12.130 -7.372 -15.398 1.00 0.00 H new ATOM 0 HH11 ARG A 730 8.751 -8.445 -15.284 1.00 0.00 H new ATOM 0 HH12 ARG A 730 8.119 -6.801 -15.153 1.00 0.00 H new ATOM 0 HH21 ARG A 730 11.286 -5.272 -15.148 1.00 0.00 H new ATOM 0 HH22 ARG A 730 9.538 -5.027 -15.077 1.00 0.00 H new ATOM 204 N ALA A 731 12.272 -12.693 -17.853 1.00 0.00 N ATOM 205 CA ALA A 731 11.974 -14.065 -17.456 1.00 0.00 C ATOM 206 C ALA A 731 13.224 -14.768 -16.948 1.00 0.00 C ATOM 207 O ALA A 731 13.207 -15.414 -15.900 1.00 0.00 O ATOM 208 CB ALA A 731 11.378 -14.836 -18.622 1.00 0.00 C ATOM 0 H ALA A 731 12.109 -12.498 -18.841 1.00 0.00 H new ATOM 0 HA ALA A 731 11.246 -14.032 -16.645 1.00 0.00 H new ATOM 0 HB1 ALA A 731 11.161 -15.858 -18.310 1.00 0.00 H new ATOM 0 HB2 ALA A 731 10.456 -14.352 -18.945 1.00 0.00 H new ATOM 0 HB3 ALA A 731 12.088 -14.852 -19.449 1.00 0.00 H new ATOM 214 N MET A 732 14.308 -14.627 -17.695 1.00 0.00 N ATOM 215 CA MET A 732 15.573 -15.255 -17.341 1.00 0.00 C ATOM 216 C MET A 732 16.095 -14.736 -16.004 1.00 0.00 C ATOM 217 O MET A 732 16.603 -15.503 -15.191 1.00 0.00 O ATOM 218 CB MET A 732 16.596 -15.007 -18.450 1.00 0.00 C ATOM 219 CG MET A 732 16.176 -15.600 -19.786 1.00 0.00 C ATOM 220 SD MET A 732 16.878 -17.232 -20.083 1.00 0.00 S ATOM 221 CE MET A 732 18.546 -16.781 -20.551 1.00 0.00 C ATOM 0 H MET A 732 14.337 -14.080 -18.555 1.00 0.00 H new ATOM 0 HA MET A 732 15.410 -16.327 -17.235 1.00 0.00 H new ATOM 0 HB2 MET A 732 16.746 -13.934 -18.566 1.00 0.00 H new ATOM 0 HB3 MET A 732 17.555 -15.433 -18.155 1.00 0.00 H new ATOM 0 HG2 MET A 732 15.089 -15.666 -19.822 1.00 0.00 H new ATOM 0 HG3 MET A 732 16.481 -14.928 -20.588 1.00 0.00 H new ATOM 0 HE1 MET A 732 19.082 -17.668 -20.889 1.00 0.00 H new ATOM 0 HE2 MET A 732 18.512 -16.049 -21.357 1.00 0.00 H new ATOM 0 HE3 MET A 732 19.061 -16.351 -19.692 1.00 0.00 H new ATOM 231 N ILE A 733 15.937 -13.439 -15.771 1.00 0.00 N ATOM 232 CA ILE A 733 16.425 -12.816 -14.545 1.00 0.00 C ATOM 233 C ILE A 733 15.530 -13.135 -13.342 1.00 0.00 C ATOM 234 O ILE A 733 16.030 -13.418 -12.251 1.00 0.00 O ATOM 235 CB ILE A 733 16.562 -11.282 -14.713 1.00 0.00 C ATOM 236 CG1 ILE A 733 17.721 -10.965 -15.669 1.00 0.00 C ATOM 237 CG2 ILE A 733 16.776 -10.590 -13.371 1.00 0.00 C ATOM 238 CD1 ILE A 733 17.922 -9.489 -15.924 1.00 0.00 C ATOM 0 H ILE A 733 15.475 -12.797 -16.415 1.00 0.00 H new ATOM 0 HA ILE A 733 17.411 -13.238 -14.350 1.00 0.00 H new ATOM 0 HB ILE A 733 15.632 -10.902 -15.135 1.00 0.00 H new ATOM 0 HG12 ILE A 733 18.641 -11.381 -15.258 1.00 0.00 H new ATOM 0 HG13 ILE A 733 17.541 -11.466 -16.620 1.00 0.00 H new ATOM 0 HG21 ILE A 733 16.868 -9.515 -13.526 1.00 0.00 H new ATOM 0 HG22 ILE A 733 15.926 -10.791 -12.718 1.00 0.00 H new ATOM 0 HG23 ILE A 733 17.687 -10.969 -12.907 1.00 0.00 H new ATOM 0 HD11 ILE A 733 18.759 -9.349 -16.608 1.00 0.00 H new ATOM 0 HD12 ILE A 733 17.018 -9.070 -16.365 1.00 0.00 H new ATOM 0 HD13 ILE A 733 18.135 -8.983 -14.982 1.00 0.00 H new ATOM 250 N VAL A 734 14.215 -13.112 -13.535 1.00 0.00 N ATOM 251 CA VAL A 734 13.289 -13.353 -12.430 1.00 0.00 C ATOM 252 C VAL A 734 13.392 -14.795 -11.931 1.00 0.00 C ATOM 253 O VAL A 734 13.261 -15.055 -10.734 1.00 0.00 O ATOM 254 CB VAL A 734 11.825 -13.016 -12.808 1.00 0.00 C ATOM 255 CG1 VAL A 734 11.268 -13.987 -13.832 1.00 0.00 C ATOM 256 CG2 VAL A 734 10.945 -12.980 -11.568 1.00 0.00 C ATOM 0 H VAL A 734 13.769 -12.931 -14.434 1.00 0.00 H new ATOM 0 HA VAL A 734 13.582 -12.681 -11.623 1.00 0.00 H new ATOM 0 HB VAL A 734 11.826 -12.026 -13.264 1.00 0.00 H new ATOM 0 HG11 VAL A 734 10.239 -13.715 -14.069 1.00 0.00 H new ATOM 0 HG12 VAL A 734 11.872 -13.947 -14.738 1.00 0.00 H new ATOM 0 HG13 VAL A 734 11.291 -14.998 -13.425 1.00 0.00 H new ATOM 0 HG21 VAL A 734 9.921 -12.742 -11.855 1.00 0.00 H new ATOM 0 HG22 VAL A 734 10.967 -13.953 -11.078 1.00 0.00 H new ATOM 0 HG23 VAL A 734 11.315 -12.219 -10.881 1.00 0.00 H new ATOM 266 N GLU A 735 13.656 -15.727 -12.844 1.00 0.00 N ATOM 267 CA GLU A 735 13.868 -17.119 -12.468 1.00 0.00 C ATOM 268 C GLU A 735 15.265 -17.296 -11.879 1.00 0.00 C ATOM 269 O GLU A 735 15.481 -18.128 -10.997 1.00 0.00 O ATOM 270 CB GLU A 735 13.679 -18.041 -13.675 1.00 0.00 C ATOM 271 CG GLU A 735 12.242 -18.132 -14.159 1.00 0.00 C ATOM 272 CD GLU A 735 12.086 -19.056 -15.351 1.00 0.00 C ATOM 273 OE1 GLU A 735 12.819 -20.067 -15.428 1.00 0.00 O ATOM 274 OE2 GLU A 735 11.232 -18.777 -16.220 1.00 0.00 O ATOM 0 H GLU A 735 13.728 -15.543 -13.845 1.00 0.00 H new ATOM 0 HA GLU A 735 13.130 -17.390 -11.713 1.00 0.00 H new ATOM 0 HB2 GLU A 735 14.306 -17.686 -14.493 1.00 0.00 H new ATOM 0 HB3 GLU A 735 14.029 -19.040 -13.415 1.00 0.00 H new ATOM 0 HG2 GLU A 735 11.610 -18.486 -13.345 1.00 0.00 H new ATOM 0 HG3 GLU A 735 11.889 -17.136 -14.427 1.00 0.00 H new ATOM 281 N PHE A 736 16.202 -16.488 -12.365 1.00 0.00 N ATOM 282 CA PHE A 736 17.580 -16.509 -11.891 1.00 0.00 C ATOM 283 C PHE A 736 17.671 -16.124 -10.417 1.00 0.00 C ATOM 284 O PHE A 736 18.468 -16.689 -9.667 1.00 0.00 O ATOM 285 CB PHE A 736 18.420 -15.560 -12.747 1.00 0.00 C ATOM 286 CG PHE A 736 19.787 -15.267 -12.206 1.00 0.00 C ATOM 287 CD1 PHE A 736 20.737 -16.267 -12.096 1.00 0.00 C ATOM 288 CD2 PHE A 736 20.121 -13.982 -11.811 1.00 0.00 C ATOM 289 CE1 PHE A 736 21.996 -15.990 -11.602 1.00 0.00 C ATOM 290 CE2 PHE A 736 21.376 -13.698 -11.320 1.00 0.00 C ATOM 291 CZ PHE A 736 22.315 -14.704 -11.215 1.00 0.00 C ATOM 0 H PHE A 736 16.027 -15.801 -13.098 1.00 0.00 H new ATOM 0 HA PHE A 736 17.965 -17.524 -11.984 1.00 0.00 H new ATOM 0 HB2 PHE A 736 18.524 -15.988 -13.744 1.00 0.00 H new ATOM 0 HB3 PHE A 736 17.880 -14.620 -12.859 1.00 0.00 H new ATOM 0 HD1 PHE A 736 20.491 -17.274 -12.400 1.00 0.00 H new ATOM 0 HD2 PHE A 736 19.388 -13.193 -11.889 1.00 0.00 H new ATOM 0 HE1 PHE A 736 22.730 -16.778 -11.518 1.00 0.00 H new ATOM 0 HE2 PHE A 736 21.625 -12.691 -11.018 1.00 0.00 H new ATOM 0 HZ PHE A 736 23.300 -14.485 -10.830 1.00 0.00 H new ATOM 301 N MET A 737 16.841 -15.173 -10.000 1.00 0.00 N ATOM 302 CA MET A 737 16.838 -14.723 -8.609 1.00 0.00 C ATOM 303 C MET A 737 16.469 -15.864 -7.668 1.00 0.00 C ATOM 304 O MET A 737 16.874 -15.876 -6.505 1.00 0.00 O ATOM 305 CB MET A 737 15.869 -13.555 -8.407 1.00 0.00 C ATOM 306 CG MET A 737 16.189 -12.340 -9.257 1.00 0.00 C ATOM 307 SD MET A 737 15.282 -10.864 -8.750 1.00 0.00 S ATOM 308 CE MET A 737 13.587 -11.440 -8.836 1.00 0.00 C ATOM 0 H MET A 737 16.165 -14.700 -10.600 1.00 0.00 H new ATOM 0 HA MET A 737 17.847 -14.384 -8.375 1.00 0.00 H new ATOM 0 HB2 MET A 737 14.857 -13.891 -8.636 1.00 0.00 H new ATOM 0 HB3 MET A 737 15.879 -13.265 -7.356 1.00 0.00 H new ATOM 0 HG2 MET A 737 17.259 -12.138 -9.204 1.00 0.00 H new ATOM 0 HG3 MET A 737 15.958 -12.562 -10.299 1.00 0.00 H new ATOM 0 HE1 MET A 737 12.959 -10.660 -9.267 1.00 0.00 H new ATOM 0 HE2 MET A 737 13.537 -12.332 -9.460 1.00 0.00 H new ATOM 0 HE3 MET A 737 13.232 -11.679 -7.833 1.00 0.00 H new ATOM 318 N ALA A 738 15.718 -16.827 -8.184 1.00 0.00 N ATOM 319 CA ALA A 738 15.275 -17.961 -7.390 1.00 0.00 C ATOM 320 C ALA A 738 16.120 -19.199 -7.681 1.00 0.00 C ATOM 321 O ALA A 738 15.861 -20.283 -7.159 1.00 0.00 O ATOM 322 CB ALA A 738 13.807 -18.236 -7.660 1.00 0.00 C ATOM 0 H ALA A 738 15.402 -16.844 -9.154 1.00 0.00 H new ATOM 0 HA ALA A 738 15.401 -17.717 -6.335 1.00 0.00 H new ATOM 0 HB1 ALA A 738 13.480 -19.087 -7.062 1.00 0.00 H new ATOM 0 HB2 ALA A 738 13.218 -17.358 -7.394 1.00 0.00 H new ATOM 0 HB3 ALA A 738 13.667 -18.460 -8.717 1.00 0.00 H new ATOM 328 N SER A 739 17.134 -19.025 -8.511 1.00 0.00 N ATOM 329 CA SER A 739 18.025 -20.113 -8.871 1.00 0.00 C ATOM 330 C SER A 739 19.183 -20.190 -7.877 1.00 0.00 C ATOM 331 O SER A 739 19.395 -19.266 -7.087 1.00 0.00 O ATOM 332 CB SER A 739 18.550 -19.906 -10.297 1.00 0.00 C ATOM 333 OG SER A 739 19.400 -20.967 -10.699 1.00 0.00 O ATOM 0 H SER A 739 17.361 -18.133 -8.951 1.00 0.00 H new ATOM 0 HA SER A 739 17.476 -21.054 -8.836 1.00 0.00 H new ATOM 0 HB2 SER A 739 17.710 -19.831 -10.987 1.00 0.00 H new ATOM 0 HB3 SER A 739 19.093 -18.963 -10.352 1.00 0.00 H new ATOM 0 HG SER A 739 19.716 -20.805 -11.613 1.00 0.00 H new ATOM 339 N LYS A 740 19.921 -21.292 -7.914 1.00 0.00 N ATOM 340 CA LYS A 740 21.073 -21.476 -7.040 1.00 0.00 C ATOM 341 C LYS A 740 22.322 -20.887 -7.678 1.00 0.00 C ATOM 342 O LYS A 740 23.366 -20.771 -7.034 1.00 0.00 O ATOM 343 CB LYS A 740 21.295 -22.960 -6.739 1.00 0.00 C ATOM 344 CG LYS A 740 20.164 -23.604 -5.956 1.00 0.00 C ATOM 345 CD LYS A 740 20.406 -25.094 -5.744 1.00 0.00 C ATOM 346 CE LYS A 740 21.659 -25.358 -4.921 1.00 0.00 C ATOM 347 NZ LYS A 740 21.547 -24.828 -3.534 1.00 0.00 N ATOM 0 H LYS A 740 19.741 -22.075 -8.543 1.00 0.00 H new ATOM 0 HA LYS A 740 20.873 -20.956 -6.103 1.00 0.00 H new ATOM 0 HB2 LYS A 740 21.424 -23.496 -7.679 1.00 0.00 H new ATOM 0 HB3 LYS A 740 22.223 -23.072 -6.178 1.00 0.00 H new ATOM 0 HG2 LYS A 740 20.062 -23.110 -4.990 1.00 0.00 H new ATOM 0 HG3 LYS A 740 19.224 -23.460 -6.488 1.00 0.00 H new ATOM 0 HD2 LYS A 740 19.544 -25.533 -5.242 1.00 0.00 H new ATOM 0 HD3 LYS A 740 20.497 -25.587 -6.712 1.00 0.00 H new ATOM 0 HE2 LYS A 740 21.847 -26.431 -4.883 1.00 0.00 H new ATOM 0 HE3 LYS A 740 22.517 -24.901 -5.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 22.363 -25.148 -2.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 21.531 -23.788 -3.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 20.669 -25.177 -3.099 1.00 0.00 H new ATOM 361 N LYS A 741 22.213 -20.523 -8.948 1.00 0.00 N ATOM 362 CA LYS A 741 23.318 -19.899 -9.659 1.00 0.00 C ATOM 363 C LYS A 741 23.596 -18.516 -9.091 1.00 0.00 C ATOM 364 O LYS A 741 22.701 -17.679 -9.020 1.00 0.00 O ATOM 365 CB LYS A 741 23.001 -19.782 -11.150 1.00 0.00 C ATOM 366 CG LYS A 741 22.857 -21.118 -11.860 1.00 0.00 C ATOM 367 CD LYS A 741 22.462 -20.933 -13.319 1.00 0.00 C ATOM 368 CE LYS A 741 23.498 -20.130 -14.094 1.00 0.00 C ATOM 369 NZ LYS A 741 24.815 -20.815 -14.143 1.00 0.00 N ATOM 0 H LYS A 741 21.369 -20.650 -9.507 1.00 0.00 H new ATOM 0 HA LYS A 741 24.201 -20.526 -9.532 1.00 0.00 H new ATOM 0 HB2 LYS A 741 22.077 -19.217 -11.271 1.00 0.00 H new ATOM 0 HB3 LYS A 741 23.791 -19.208 -11.635 1.00 0.00 H new ATOM 0 HG2 LYS A 741 23.798 -21.665 -11.803 1.00 0.00 H new ATOM 0 HG3 LYS A 741 22.106 -21.722 -11.352 1.00 0.00 H new ATOM 0 HD2 LYS A 741 22.336 -21.909 -13.787 1.00 0.00 H new ATOM 0 HD3 LYS A 741 21.498 -20.427 -13.372 1.00 0.00 H new ATOM 0 HE2 LYS A 741 23.140 -19.962 -15.110 1.00 0.00 H new ATOM 0 HE3 LYS A 741 23.617 -19.150 -13.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 741 25.443 -20.313 -14.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 741 25.241 -20.817 -13.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 741 24.685 -21.795 -14.466 1.00 0.00 H new ATOM 383 N MET A 742 24.832 -18.285 -8.674 1.00 0.00 N ATOM 384 CA MET A 742 25.220 -16.983 -8.147 1.00 0.00 C ATOM 385 C MET A 742 25.379 -15.976 -9.278 1.00 0.00 C ATOM 386 O MET A 742 25.194 -14.774 -9.081 1.00 0.00 O ATOM 387 CB MET A 742 26.525 -17.080 -7.349 1.00 0.00 C ATOM 388 CG MET A 742 27.734 -17.473 -8.185 1.00 0.00 C ATOM 389 SD MET A 742 29.259 -17.566 -7.223 1.00 0.00 S ATOM 390 CE MET A 742 28.825 -18.832 -6.033 1.00 0.00 C ATOM 0 H MET A 742 25.581 -18.977 -8.690 1.00 0.00 H new ATOM 0 HA MET A 742 24.429 -16.644 -7.478 1.00 0.00 H new ATOM 0 HB2 MET A 742 26.721 -16.118 -6.875 1.00 0.00 H new ATOM 0 HB3 MET A 742 26.396 -17.809 -6.549 1.00 0.00 H new ATOM 0 HG2 MET A 742 27.547 -18.440 -8.652 1.00 0.00 H new ATOM 0 HG3 MET A 742 27.863 -16.749 -8.990 1.00 0.00 H new ATOM 0 HE1 MET A 742 29.733 -19.245 -5.594 1.00 0.00 H new ATOM 0 HE2 MET A 742 28.208 -18.396 -5.247 1.00 0.00 H new ATOM 0 HE3 MET A 742 28.270 -19.626 -6.533 1.00 0.00 H new ATOM 400 N GLN A 743 25.706 -16.478 -10.464 1.00 0.00 N ATOM 401 CA GLN A 743 25.929 -15.630 -11.621 1.00 0.00 C ATOM 402 C GLN A 743 25.284 -16.241 -12.860 1.00 0.00 C ATOM 403 O GLN A 743 25.365 -17.449 -13.087 1.00 0.00 O ATOM 404 CB GLN A 743 27.431 -15.421 -11.854 1.00 0.00 C ATOM 405 CG GLN A 743 28.198 -16.710 -12.119 1.00 0.00 C ATOM 406 CD GLN A 743 29.675 -16.482 -12.391 1.00 0.00 C ATOM 407 OE1 GLN A 743 30.509 -17.336 -12.091 1.00 0.00 O ATOM 408 NE2 GLN A 743 30.011 -15.340 -12.970 1.00 0.00 N ATOM 0 H GLN A 743 25.822 -17.475 -10.646 1.00 0.00 H new ATOM 0 HA GLN A 743 25.469 -14.660 -11.430 1.00 0.00 H new ATOM 0 HB2 GLN A 743 27.568 -14.748 -12.700 1.00 0.00 H new ATOM 0 HB3 GLN A 743 27.859 -14.927 -10.982 1.00 0.00 H new ATOM 0 HG2 GLN A 743 28.091 -17.372 -11.260 1.00 0.00 H new ATOM 0 HG3 GLN A 743 27.753 -17.221 -12.972 1.00 0.00 H new ATOM 0 HE21 GLN A 743 29.292 -14.656 -13.204 1.00 0.00 H new ATOM 0 HE22 GLN A 743 30.989 -15.144 -13.182 1.00 0.00 H new ATOM 417 N LEU A 744 24.625 -15.404 -13.639 1.00 0.00 N ATOM 418 CA LEU A 744 24.024 -15.827 -14.885 1.00 0.00 C ATOM 419 C LEU A 744 24.843 -15.286 -16.043 1.00 0.00 C ATOM 420 O LEU A 744 24.814 -14.088 -16.336 1.00 0.00 O ATOM 421 CB LEU A 744 22.572 -15.350 -14.984 1.00 0.00 C ATOM 422 CG LEU A 744 21.800 -15.855 -16.206 1.00 0.00 C ATOM 423 CD1 LEU A 744 21.823 -17.376 -16.270 1.00 0.00 C ATOM 424 CD2 LEU A 744 20.366 -15.351 -16.170 1.00 0.00 C ATOM 0 H LEU A 744 24.493 -14.416 -13.425 1.00 0.00 H new ATOM 0 HA LEU A 744 24.016 -16.916 -14.923 1.00 0.00 H new ATOM 0 HB2 LEU A 744 22.042 -15.663 -14.085 1.00 0.00 H new ATOM 0 HB3 LEU A 744 22.565 -14.260 -14.995 1.00 0.00 H new ATOM 0 HG LEU A 744 22.287 -15.467 -17.101 1.00 0.00 H new ATOM 0 HD11 LEU A 744 21.268 -17.712 -17.146 1.00 0.00 H new ATOM 0 HD12 LEU A 744 22.854 -17.722 -16.339 1.00 0.00 H new ATOM 0 HD13 LEU A 744 21.363 -17.785 -15.371 1.00 0.00 H new ATOM 0 HD21 LEU A 744 19.829 -15.718 -17.045 1.00 0.00 H new ATOM 0 HD22 LEU A 744 19.876 -15.712 -15.266 1.00 0.00 H new ATOM 0 HD23 LEU A 744 20.363 -14.261 -16.173 1.00 0.00 H new ATOM 436 N GLU A 745 25.599 -16.170 -16.660 1.00 0.00 N ATOM 437 CA GLU A 745 26.460 -15.813 -17.772 1.00 0.00 C ATOM 438 C GLU A 745 25.686 -15.906 -19.080 1.00 0.00 C ATOM 439 O GLU A 745 25.399 -17.003 -19.564 1.00 0.00 O ATOM 440 CB GLU A 745 27.671 -16.749 -17.799 1.00 0.00 C ATOM 441 CG GLU A 745 28.448 -16.757 -16.491 1.00 0.00 C ATOM 442 CD GLU A 745 29.254 -18.024 -16.298 1.00 0.00 C ATOM 443 OE1 GLU A 745 28.693 -19.009 -15.780 1.00 0.00 O ATOM 444 OE2 GLU A 745 30.450 -18.048 -16.657 1.00 0.00 O ATOM 0 H GLU A 745 25.635 -17.157 -16.406 1.00 0.00 H new ATOM 0 HA GLU A 745 26.807 -14.787 -17.649 1.00 0.00 H new ATOM 0 HB2 GLU A 745 27.335 -17.762 -18.021 1.00 0.00 H new ATOM 0 HB3 GLU A 745 28.337 -16.449 -18.608 1.00 0.00 H new ATOM 0 HG2 GLU A 745 29.118 -15.898 -16.466 1.00 0.00 H new ATOM 0 HG3 GLU A 745 27.753 -16.643 -15.659 1.00 0.00 H new ATOM 451 N PHE A 746 25.317 -14.758 -19.625 1.00 0.00 N ATOM 452 CA PHE A 746 24.591 -14.711 -20.883 1.00 0.00 C ATOM 453 C PHE A 746 25.544 -14.922 -22.053 1.00 0.00 C ATOM 454 O PHE A 746 26.740 -14.660 -21.934 1.00 0.00 O ATOM 455 CB PHE A 746 23.870 -13.369 -21.036 1.00 0.00 C ATOM 456 CG PHE A 746 22.641 -13.227 -20.181 1.00 0.00 C ATOM 457 CD1 PHE A 746 22.719 -12.699 -18.904 1.00 0.00 C ATOM 458 CD2 PHE A 746 21.402 -13.611 -20.668 1.00 0.00 C ATOM 459 CE1 PHE A 746 21.585 -12.558 -18.127 1.00 0.00 C ATOM 460 CE2 PHE A 746 20.265 -13.472 -19.898 1.00 0.00 C ATOM 461 CZ PHE A 746 20.356 -12.946 -18.627 1.00 0.00 C ATOM 0 H PHE A 746 25.509 -13.844 -19.214 1.00 0.00 H new ATOM 0 HA PHE A 746 23.850 -15.510 -20.881 1.00 0.00 H new ATOM 0 HB2 PHE A 746 24.565 -12.566 -20.790 1.00 0.00 H new ATOM 0 HB3 PHE A 746 23.589 -13.238 -22.081 1.00 0.00 H new ATOM 0 HD1 PHE A 746 23.677 -12.394 -18.510 1.00 0.00 H new ATOM 0 HD2 PHE A 746 21.325 -14.024 -21.663 1.00 0.00 H new ATOM 0 HE1 PHE A 746 21.659 -12.146 -17.132 1.00 0.00 H new ATOM 0 HE2 PHE A 746 19.306 -13.775 -20.291 1.00 0.00 H new ATOM 0 HZ PHE A 746 19.468 -12.837 -18.022 1.00 0.00 H new ATOM 471 N PRO A 747 25.035 -15.410 -23.191 1.00 0.00 N ATOM 472 CA PRO A 747 25.844 -15.590 -24.397 1.00 0.00 C ATOM 473 C PRO A 747 26.238 -14.251 -25.025 1.00 0.00 C ATOM 474 O PRO A 747 25.528 -13.253 -24.876 1.00 0.00 O ATOM 475 CB PRO A 747 24.923 -16.373 -25.346 1.00 0.00 C ATOM 476 CG PRO A 747 23.783 -16.845 -24.504 1.00 0.00 C ATOM 477 CD PRO A 747 23.648 -15.841 -23.398 1.00 0.00 C ATOM 0 HA PRO A 747 26.782 -16.102 -24.183 1.00 0.00 H new ATOM 0 HB2 PRO A 747 24.572 -15.741 -26.161 1.00 0.00 H new ATOM 0 HB3 PRO A 747 25.450 -17.213 -25.798 1.00 0.00 H new ATOM 0 HG2 PRO A 747 22.865 -16.908 -25.089 1.00 0.00 H new ATOM 0 HG3 PRO A 747 23.977 -17.841 -24.106 1.00 0.00 H new ATOM 0 HD2 PRO A 747 23.002 -15.010 -23.681 1.00 0.00 H new ATOM 0 HD3 PRO A 747 23.222 -16.284 -22.498 1.00 0.00 H new ATOM 485 N PRO A 748 27.373 -14.214 -25.741 1.00 0.00 N ATOM 486 CA PRO A 748 27.848 -13.000 -26.424 1.00 0.00 C ATOM 487 C PRO A 748 26.918 -12.568 -27.558 1.00 0.00 C ATOM 488 O PRO A 748 27.124 -11.532 -28.190 1.00 0.00 O ATOM 489 CB PRO A 748 29.210 -13.409 -26.989 1.00 0.00 C ATOM 490 CG PRO A 748 29.180 -14.897 -27.053 1.00 0.00 C ATOM 491 CD PRO A 748 28.298 -15.347 -25.925 1.00 0.00 C ATOM 0 HA PRO A 748 27.891 -12.149 -25.744 1.00 0.00 H new ATOM 0 HB2 PRO A 748 29.372 -12.976 -27.976 1.00 0.00 H new ATOM 0 HB3 PRO A 748 30.021 -13.059 -26.351 1.00 0.00 H new ATOM 0 HG2 PRO A 748 28.790 -15.238 -28.012 1.00 0.00 H new ATOM 0 HG3 PRO A 748 30.183 -15.311 -26.952 1.00 0.00 H new ATOM 0 HD2 PRO A 748 27.765 -16.265 -26.173 1.00 0.00 H new ATOM 0 HD3 PRO A 748 28.873 -15.547 -25.021 1.00 0.00 H new ATOM 499 N SER A 749 25.904 -13.383 -27.810 1.00 0.00 N ATOM 500 CA SER A 749 24.900 -13.093 -28.819 1.00 0.00 C ATOM 501 C SER A 749 24.046 -11.890 -28.415 1.00 0.00 C ATOM 502 O SER A 749 23.373 -11.288 -29.252 1.00 0.00 O ATOM 503 CB SER A 749 24.023 -14.322 -29.015 1.00 0.00 C ATOM 504 OG SER A 749 24.824 -15.479 -29.193 1.00 0.00 O ATOM 0 H SER A 749 25.756 -14.265 -27.319 1.00 0.00 H new ATOM 0 HA SER A 749 25.400 -12.844 -29.755 1.00 0.00 H new ATOM 0 HB2 SER A 749 23.371 -14.453 -28.151 1.00 0.00 H new ATOM 0 HB3 SER A 749 23.378 -14.182 -29.882 1.00 0.00 H new ATOM 0 HG SER A 749 24.246 -16.261 -29.316 1.00 0.00 H new ATOM 510 N LEU A 750 24.069 -11.553 -27.128 1.00 0.00 N ATOM 511 CA LEU A 750 23.381 -10.369 -26.631 1.00 0.00 C ATOM 512 C LEU A 750 24.096 -9.111 -27.111 1.00 0.00 C ATOM 513 O LEU A 750 25.201 -8.809 -26.656 1.00 0.00 O ATOM 514 CB LEU A 750 23.319 -10.374 -25.103 1.00 0.00 C ATOM 515 CG LEU A 750 22.179 -11.191 -24.488 1.00 0.00 C ATOM 516 CD1 LEU A 750 22.352 -12.679 -24.759 1.00 0.00 C ATOM 517 CD2 LEU A 750 22.093 -10.921 -22.996 1.00 0.00 C ATOM 0 H LEU A 750 24.559 -12.086 -26.410 1.00 0.00 H new ATOM 0 HA LEU A 750 22.362 -10.379 -27.019 1.00 0.00 H new ATOM 0 HB2 LEU A 750 24.265 -10.758 -24.720 1.00 0.00 H new ATOM 0 HB3 LEU A 750 23.231 -9.344 -24.758 1.00 0.00 H new ATOM 0 HG LEU A 750 21.245 -10.881 -24.957 1.00 0.00 H new ATOM 0 HD11 LEU A 750 21.526 -13.229 -24.309 1.00 0.00 H new ATOM 0 HD12 LEU A 750 22.361 -12.854 -25.835 1.00 0.00 H new ATOM 0 HD13 LEU A 750 23.293 -13.020 -24.328 1.00 0.00 H new ATOM 0 HD21 LEU A 750 21.280 -11.506 -22.567 1.00 0.00 H new ATOM 0 HD22 LEU A 750 23.033 -11.202 -22.521 1.00 0.00 H new ATOM 0 HD23 LEU A 750 21.905 -9.861 -22.828 1.00 0.00 H new ATOM 529 N ASN A 751 23.472 -8.384 -28.030 1.00 0.00 N ATOM 530 CA ASN A 751 24.076 -7.171 -28.569 1.00 0.00 C ATOM 531 C ASN A 751 23.910 -6.028 -27.572 1.00 0.00 C ATOM 532 O ASN A 751 23.373 -6.227 -26.482 1.00 0.00 O ATOM 533 CB ASN A 751 23.463 -6.809 -29.938 1.00 0.00 C ATOM 534 CG ASN A 751 22.208 -5.948 -29.852 1.00 0.00 C ATOM 535 OD1 ASN A 751 22.278 -4.721 -29.916 1.00 0.00 O ATOM 536 ND2 ASN A 751 21.058 -6.574 -29.698 1.00 0.00 N ATOM 0 H ASN A 751 22.555 -8.610 -28.415 1.00 0.00 H new ATOM 0 HA ASN A 751 25.140 -7.347 -28.726 1.00 0.00 H new ATOM 0 HB2 ASN A 751 24.211 -6.283 -30.531 1.00 0.00 H new ATOM 0 HB3 ASN A 751 23.223 -7.729 -30.471 1.00 0.00 H new ATOM 0 HD21 ASN A 751 20.192 -6.040 -29.628 1.00 0.00 H new ATOM 0 HD22 ASN A 751 21.034 -7.593 -29.649 1.00 0.00 H new ATOM 543 N SER A 752 24.375 -4.841 -27.937 1.00 0.00 N ATOM 544 CA SER A 752 24.307 -3.682 -27.056 1.00 0.00 C ATOM 545 C SER A 752 22.883 -3.447 -26.540 1.00 0.00 C ATOM 546 O SER A 752 22.691 -3.156 -25.362 1.00 0.00 O ATOM 547 CB SER A 752 24.821 -2.450 -27.794 1.00 0.00 C ATOM 548 OG SER A 752 26.117 -2.697 -28.314 1.00 0.00 O ATOM 0 H SER A 752 24.806 -4.655 -28.843 1.00 0.00 H new ATOM 0 HA SER A 752 24.937 -3.874 -26.188 1.00 0.00 H new ATOM 0 HB2 SER A 752 24.139 -2.191 -28.604 1.00 0.00 H new ATOM 0 HB3 SER A 752 24.849 -1.597 -27.117 1.00 0.00 H new ATOM 0 HG SER A 752 26.437 -1.901 -28.787 1.00 0.00 H new ATOM 554 N HIS A 753 21.891 -3.608 -27.413 1.00 0.00 N ATOM 555 CA HIS A 753 20.492 -3.430 -27.025 1.00 0.00 C ATOM 556 C HIS A 753 20.042 -4.540 -26.080 1.00 0.00 C ATOM 557 O HIS A 753 19.387 -4.275 -25.072 1.00 0.00 O ATOM 558 CB HIS A 753 19.581 -3.393 -28.257 1.00 0.00 C ATOM 559 CG HIS A 753 19.735 -2.162 -29.098 1.00 0.00 C ATOM 560 ND1 HIS A 753 19.232 -2.040 -30.373 1.00 0.00 N ATOM 561 CD2 HIS A 753 20.338 -0.978 -28.819 1.00 0.00 C ATOM 562 CE1 HIS A 753 19.536 -0.817 -30.821 1.00 0.00 C ATOM 563 NE2 HIS A 753 20.208 -0.129 -29.915 1.00 0.00 N ATOM 0 H HIS A 753 22.028 -3.861 -28.392 1.00 0.00 H new ATOM 0 HA HIS A 753 20.414 -2.475 -26.505 1.00 0.00 H new ATOM 0 HB2 HIS A 753 19.786 -4.268 -28.873 1.00 0.00 H new ATOM 0 HB3 HIS A 753 18.544 -3.469 -27.931 1.00 0.00 H new ATOM 0 HD2 HIS A 753 20.839 -0.733 -27.894 1.00 0.00 H new ATOM 0 HE1 HIS A 753 19.267 -0.441 -31.797 1.00 0.00 H new ATOM 0 HE2 HIS A 753 20.558 0.825 -30.001 1.00 0.00 H new ATOM 571 N ASP A 754 20.403 -5.780 -26.403 1.00 0.00 N ATOM 572 CA ASP A 754 20.066 -6.920 -25.549 1.00 0.00 C ATOM 573 C ASP A 754 20.644 -6.720 -24.156 1.00 0.00 C ATOM 574 O ASP A 754 19.950 -6.871 -23.151 1.00 0.00 O ATOM 575 CB ASP A 754 20.607 -8.237 -26.121 1.00 0.00 C ATOM 576 CG ASP A 754 19.954 -8.660 -27.423 1.00 0.00 C ATOM 577 OD1 ASP A 754 18.717 -8.813 -27.459 1.00 0.00 O ATOM 578 OD2 ASP A 754 20.683 -8.862 -28.419 1.00 0.00 O ATOM 0 H ASP A 754 20.926 -6.022 -27.245 1.00 0.00 H new ATOM 0 HA ASP A 754 18.979 -6.979 -25.503 1.00 0.00 H new ATOM 0 HB2 ASP A 754 21.681 -8.138 -26.281 1.00 0.00 H new ATOM 0 HB3 ASP A 754 20.466 -9.027 -25.383 1.00 0.00 H new ATOM 583 N ARG A 755 21.923 -6.372 -24.112 1.00 0.00 N ATOM 584 CA ARG A 755 22.617 -6.152 -22.854 1.00 0.00 C ATOM 585 C ARG A 755 22.013 -4.974 -22.101 1.00 0.00 C ATOM 586 O ARG A 755 21.802 -5.058 -20.900 1.00 0.00 O ATOM 587 CB ARG A 755 24.112 -5.923 -23.094 1.00 0.00 C ATOM 588 CG ARG A 755 24.807 -7.119 -23.724 1.00 0.00 C ATOM 589 CD ARG A 755 26.300 -6.896 -23.905 1.00 0.00 C ATOM 590 NE ARG A 755 26.593 -5.858 -24.895 1.00 0.00 N ATOM 591 CZ ARG A 755 27.411 -6.030 -25.940 1.00 0.00 C ATOM 592 NH1 ARG A 755 27.966 -7.215 -26.178 1.00 0.00 N ATOM 593 NH2 ARG A 755 27.656 -5.019 -26.764 1.00 0.00 N ATOM 0 H ARG A 755 22.503 -6.236 -24.940 1.00 0.00 H new ATOM 0 HA ARG A 755 22.499 -7.046 -22.242 1.00 0.00 H new ATOM 0 HB2 ARG A 755 24.241 -5.054 -23.740 1.00 0.00 H new ATOM 0 HB3 ARG A 755 24.594 -5.689 -22.145 1.00 0.00 H new ATOM 0 HG2 ARG A 755 24.647 -7.998 -23.100 1.00 0.00 H new ATOM 0 HG3 ARG A 755 24.354 -7.329 -24.693 1.00 0.00 H new ATOM 0 HD2 ARG A 755 26.742 -6.617 -22.948 1.00 0.00 H new ATOM 0 HD3 ARG A 755 26.770 -7.830 -24.212 1.00 0.00 H new ATOM 0 HE ARG A 755 26.146 -4.948 -24.781 1.00 0.00 H new ATOM 0 HH11 ARG A 755 27.770 -8.003 -25.561 1.00 0.00 H new ATOM 0 HH12 ARG A 755 28.588 -7.336 -26.977 1.00 0.00 H new ATOM 0 HH21 ARG A 755 27.221 -4.111 -26.601 1.00 0.00 H new ATOM 0 HH22 ARG A 755 28.279 -5.150 -27.561 1.00 0.00 H new ATOM 607 N LEU A 756 21.722 -3.891 -22.820 1.00 0.00 N ATOM 608 CA LEU A 756 21.124 -2.697 -22.224 1.00 0.00 C ATOM 609 C LEU A 756 19.838 -3.042 -21.481 1.00 0.00 C ATOM 610 O LEU A 756 19.590 -2.544 -20.381 1.00 0.00 O ATOM 611 CB LEU A 756 20.831 -1.661 -23.311 1.00 0.00 C ATOM 612 CG LEU A 756 20.174 -0.365 -22.832 1.00 0.00 C ATOM 613 CD1 LEU A 756 21.130 0.434 -21.961 1.00 0.00 C ATOM 614 CD2 LEU A 756 19.711 0.464 -24.019 1.00 0.00 C ATOM 0 H LEU A 756 21.892 -3.816 -23.823 1.00 0.00 H new ATOM 0 HA LEU A 756 21.834 -2.282 -21.509 1.00 0.00 H new ATOM 0 HB2 LEU A 756 21.767 -1.410 -23.809 1.00 0.00 H new ATOM 0 HB3 LEU A 756 20.185 -2.119 -24.059 1.00 0.00 H new ATOM 0 HG LEU A 756 19.303 -0.624 -22.230 1.00 0.00 H new ATOM 0 HD11 LEU A 756 20.642 1.351 -21.632 1.00 0.00 H new ATOM 0 HD12 LEU A 756 21.412 -0.159 -21.091 1.00 0.00 H new ATOM 0 HD13 LEU A 756 22.023 0.684 -22.535 1.00 0.00 H new ATOM 0 HD21 LEU A 756 19.246 1.383 -23.662 1.00 0.00 H new ATOM 0 HD22 LEU A 756 20.567 0.711 -24.646 1.00 0.00 H new ATOM 0 HD23 LEU A 756 18.987 -0.107 -24.601 1.00 0.00 H new ATOM 626 N ARG A 757 19.024 -3.897 -22.088 1.00 0.00 N ATOM 627 CA ARG A 757 17.808 -4.365 -21.444 1.00 0.00 C ATOM 628 C ARG A 757 18.140 -5.145 -20.180 1.00 0.00 C ATOM 629 O ARG A 757 17.556 -4.897 -19.129 1.00 0.00 O ATOM 630 CB ARG A 757 16.979 -5.225 -22.400 1.00 0.00 C ATOM 631 CG ARG A 757 16.158 -4.424 -23.401 1.00 0.00 C ATOM 632 CD ARG A 757 14.897 -3.842 -22.770 1.00 0.00 C ATOM 633 NE ARG A 757 15.175 -2.740 -21.842 1.00 0.00 N ATOM 634 CZ ARG A 757 14.547 -2.564 -20.672 1.00 0.00 C ATOM 635 NH1 ARG A 757 13.622 -3.427 -20.269 1.00 0.00 N ATOM 636 NH2 ARG A 757 14.830 -1.509 -19.916 1.00 0.00 N ATOM 0 H ARG A 757 19.185 -4.278 -23.021 1.00 0.00 H new ATOM 0 HA ARG A 757 17.214 -3.493 -21.169 1.00 0.00 H new ATOM 0 HB2 ARG A 757 17.648 -5.892 -22.945 1.00 0.00 H new ATOM 0 HB3 ARG A 757 16.307 -5.855 -21.816 1.00 0.00 H new ATOM 0 HG2 ARG A 757 16.767 -3.616 -23.805 1.00 0.00 H new ATOM 0 HG3 ARG A 757 15.882 -5.065 -24.239 1.00 0.00 H new ATOM 0 HD2 ARG A 757 14.234 -3.487 -23.559 1.00 0.00 H new ATOM 0 HD3 ARG A 757 14.366 -4.632 -22.239 1.00 0.00 H new ATOM 0 HE ARG A 757 15.893 -2.064 -22.105 1.00 0.00 H new ATOM 0 HH11 ARG A 757 13.386 -4.230 -20.852 1.00 0.00 H new ATOM 0 HH12 ARG A 757 13.148 -3.287 -19.377 1.00 0.00 H new ATOM 0 HH21 ARG A 757 15.526 -0.831 -20.226 1.00 0.00 H new ATOM 0 HH22 ARG A 757 14.351 -1.377 -19.025 1.00 0.00 H new ATOM 650 N VAL A 758 19.097 -6.063 -20.280 1.00 0.00 N ATOM 651 CA VAL A 758 19.513 -6.865 -19.131 1.00 0.00 C ATOM 652 C VAL A 758 20.026 -5.974 -18.002 1.00 0.00 C ATOM 653 O VAL A 758 19.619 -6.134 -16.853 1.00 0.00 O ATOM 654 CB VAL A 758 20.609 -7.887 -19.505 1.00 0.00 C ATOM 655 CG1 VAL A 758 21.046 -8.679 -18.282 1.00 0.00 C ATOM 656 CG2 VAL A 758 20.122 -8.828 -20.590 1.00 0.00 C ATOM 0 H VAL A 758 19.599 -6.271 -21.143 1.00 0.00 H new ATOM 0 HA VAL A 758 18.631 -7.411 -18.796 1.00 0.00 H new ATOM 0 HB VAL A 758 21.467 -7.334 -19.887 1.00 0.00 H new ATOM 0 HG11 VAL A 758 21.818 -9.393 -18.568 1.00 0.00 H new ATOM 0 HG12 VAL A 758 21.443 -7.997 -17.530 1.00 0.00 H new ATOM 0 HG13 VAL A 758 20.191 -9.215 -17.871 1.00 0.00 H new ATOM 0 HG21 VAL A 758 20.911 -9.538 -20.837 1.00 0.00 H new ATOM 0 HG22 VAL A 758 19.244 -9.369 -20.236 1.00 0.00 H new ATOM 0 HG23 VAL A 758 19.860 -8.254 -21.479 1.00 0.00 H new ATOM 666 N HIS A 759 20.905 -5.033 -18.340 1.00 0.00 N ATOM 667 CA HIS A 759 21.450 -4.096 -17.359 1.00 0.00 C ATOM 668 C HIS A 759 20.328 -3.367 -16.642 1.00 0.00 C ATOM 669 O HIS A 759 20.237 -3.400 -15.417 1.00 0.00 O ATOM 670 CB HIS A 759 22.373 -3.061 -18.017 1.00 0.00 C ATOM 671 CG HIS A 759 23.694 -3.598 -18.480 1.00 0.00 C ATOM 672 ND1 HIS A 759 24.667 -3.960 -17.589 1.00 0.00 N ATOM 673 CD2 HIS A 759 24.158 -3.786 -19.738 1.00 0.00 C ATOM 674 CE1 HIS A 759 25.694 -4.356 -18.309 1.00 0.00 C ATOM 675 NE2 HIS A 759 25.438 -4.268 -19.623 1.00 0.00 N ATOM 0 H HIS A 759 21.256 -4.899 -19.288 1.00 0.00 H new ATOM 0 HA HIS A 759 22.031 -4.680 -16.645 1.00 0.00 H new ATOM 0 HB2 HIS A 759 21.855 -2.625 -18.871 1.00 0.00 H new ATOM 0 HB3 HIS A 759 22.554 -2.254 -17.307 1.00 0.00 H new ATOM 0 HD1 HIS A 759 24.608 -3.929 -16.571 1.00 0.00 H new ATOM 0 HD2 HIS A 759 23.623 -3.594 -20.656 1.00 0.00 H new ATOM 0 HE1 HIS A 759 26.627 -4.708 -17.894 1.00 0.00 H new ATOM 683 N GLN A 760 19.462 -2.725 -17.415 1.00 0.00 N ATOM 684 CA GLN A 760 18.366 -1.958 -16.854 1.00 0.00 C ATOM 685 C GLN A 760 17.406 -2.833 -16.062 1.00 0.00 C ATOM 686 O GLN A 760 16.915 -2.419 -15.021 1.00 0.00 O ATOM 687 CB GLN A 760 17.620 -1.210 -17.952 1.00 0.00 C ATOM 688 CG GLN A 760 18.379 -0.003 -18.467 1.00 0.00 C ATOM 689 CD GLN A 760 17.579 0.818 -19.457 1.00 0.00 C ATOM 690 OE1 GLN A 760 16.351 0.840 -19.415 1.00 0.00 O ATOM 691 NE2 GLN A 760 18.273 1.519 -20.337 1.00 0.00 N ATOM 0 H GLN A 760 19.501 -2.722 -18.434 1.00 0.00 H new ATOM 0 HA GLN A 760 18.797 -1.235 -16.162 1.00 0.00 H new ATOM 0 HB2 GLN A 760 17.426 -1.891 -18.781 1.00 0.00 H new ATOM 0 HB3 GLN A 760 16.651 -0.888 -17.571 1.00 0.00 H new ATOM 0 HG2 GLN A 760 18.663 0.628 -17.625 1.00 0.00 H new ATOM 0 HG3 GLN A 760 19.302 -0.336 -18.941 1.00 0.00 H new ATOM 0 HE21 GLN A 760 19.292 1.472 -20.337 1.00 0.00 H new ATOM 0 HE22 GLN A 760 17.790 2.107 -21.016 1.00 0.00 H new ATOM 700 N ILE A 761 17.143 -4.039 -16.544 1.00 0.00 N ATOM 701 CA ILE A 761 16.260 -4.961 -15.833 1.00 0.00 C ATOM 702 C ILE A 761 16.889 -5.421 -14.519 1.00 0.00 C ATOM 703 O ILE A 761 16.228 -5.437 -13.485 1.00 0.00 O ATOM 704 CB ILE A 761 15.880 -6.188 -16.698 1.00 0.00 C ATOM 705 CG1 ILE A 761 14.975 -5.753 -17.852 1.00 0.00 C ATOM 706 CG2 ILE A 761 15.188 -7.257 -15.862 1.00 0.00 C ATOM 707 CD1 ILE A 761 14.678 -6.853 -18.853 1.00 0.00 C ATOM 0 H ILE A 761 17.524 -4.403 -17.418 1.00 0.00 H new ATOM 0 HA ILE A 761 15.345 -4.412 -15.613 1.00 0.00 H new ATOM 0 HB ILE A 761 16.797 -6.617 -17.102 1.00 0.00 H new ATOM 0 HG12 ILE A 761 14.034 -5.385 -17.443 1.00 0.00 H new ATOM 0 HG13 ILE A 761 15.444 -4.919 -18.373 1.00 0.00 H new ATOM 0 HG21 ILE A 761 14.933 -8.106 -16.496 1.00 0.00 H new ATOM 0 HG22 ILE A 761 15.856 -7.586 -15.066 1.00 0.00 H new ATOM 0 HG23 ILE A 761 14.279 -6.845 -15.425 1.00 0.00 H new ATOM 0 HD11 ILE A 761 14.031 -6.464 -19.639 1.00 0.00 H new ATOM 0 HD12 ILE A 761 15.611 -7.207 -19.292 1.00 0.00 H new ATOM 0 HD13 ILE A 761 14.179 -7.680 -18.348 1.00 0.00 H new ATOM 719 N ALA A 762 18.165 -5.779 -14.552 1.00 0.00 N ATOM 720 CA ALA A 762 18.865 -6.193 -13.341 1.00 0.00 C ATOM 721 C ALA A 762 18.985 -5.022 -12.371 1.00 0.00 C ATOM 722 O ALA A 762 18.881 -5.188 -11.155 1.00 0.00 O ATOM 723 CB ALA A 762 20.237 -6.750 -13.679 1.00 0.00 C ATOM 0 H ALA A 762 18.735 -5.792 -15.398 1.00 0.00 H new ATOM 0 HA ALA A 762 18.286 -6.982 -12.861 1.00 0.00 H new ATOM 0 HB1 ALA A 762 20.743 -7.053 -12.762 1.00 0.00 H new ATOM 0 HB2 ALA A 762 20.128 -7.613 -14.335 1.00 0.00 H new ATOM 0 HB3 ALA A 762 20.827 -5.984 -14.182 1.00 0.00 H new ATOM 729 N GLU A 763 19.195 -3.837 -12.928 1.00 0.00 N ATOM 730 CA GLU A 763 19.244 -2.601 -12.153 1.00 0.00 C ATOM 731 C GLU A 763 17.861 -2.298 -11.571 1.00 0.00 C ATOM 732 O GLU A 763 17.732 -1.763 -10.470 1.00 0.00 O ATOM 733 CB GLU A 763 19.716 -1.465 -13.068 1.00 0.00 C ATOM 734 CG GLU A 763 20.047 -0.164 -12.363 1.00 0.00 C ATOM 735 CD GLU A 763 20.659 0.851 -13.311 1.00 0.00 C ATOM 736 OE1 GLU A 763 19.902 1.580 -13.988 1.00 0.00 O ATOM 737 OE2 GLU A 763 21.903 0.920 -13.396 1.00 0.00 O ATOM 0 H GLU A 763 19.336 -3.704 -13.929 1.00 0.00 H new ATOM 0 HA GLU A 763 19.943 -2.703 -11.323 1.00 0.00 H new ATOM 0 HB2 GLU A 763 20.600 -1.801 -13.611 1.00 0.00 H new ATOM 0 HB3 GLU A 763 18.941 -1.271 -13.809 1.00 0.00 H new ATOM 0 HG2 GLU A 763 19.141 0.251 -11.922 1.00 0.00 H new ATOM 0 HG3 GLU A 763 20.739 -0.360 -11.544 1.00 0.00 H new ATOM 744 N GLU A 764 16.835 -2.671 -12.326 1.00 0.00 N ATOM 745 CA GLU A 764 15.442 -2.501 -11.925 1.00 0.00 C ATOM 746 C GLU A 764 15.082 -3.477 -10.805 1.00 0.00 C ATOM 747 O GLU A 764 14.374 -3.126 -9.859 1.00 0.00 O ATOM 748 CB GLU A 764 14.553 -2.726 -13.153 1.00 0.00 C ATOM 749 CG GLU A 764 13.062 -2.577 -12.917 1.00 0.00 C ATOM 750 CD GLU A 764 12.281 -2.693 -14.210 1.00 0.00 C ATOM 751 OE1 GLU A 764 12.171 -3.816 -14.749 1.00 0.00 O ATOM 752 OE2 GLU A 764 11.800 -1.655 -14.711 1.00 0.00 O ATOM 0 H GLU A 764 16.946 -3.104 -13.243 1.00 0.00 H new ATOM 0 HA GLU A 764 15.287 -1.493 -11.541 1.00 0.00 H new ATOM 0 HB2 GLU A 764 14.852 -2.022 -13.930 1.00 0.00 H new ATOM 0 HB3 GLU A 764 14.744 -3.727 -13.539 1.00 0.00 H new ATOM 0 HG2 GLU A 764 12.725 -3.342 -12.217 1.00 0.00 H new ATOM 0 HG3 GLU A 764 12.861 -1.611 -12.454 1.00 0.00 H new ATOM 759 N HIS A 765 15.580 -4.701 -10.921 1.00 0.00 N ATOM 760 CA HIS A 765 15.383 -5.722 -9.896 1.00 0.00 C ATOM 761 C HIS A 765 16.206 -5.417 -8.652 1.00 0.00 C ATOM 762 O HIS A 765 15.817 -5.764 -7.538 1.00 0.00 O ATOM 763 CB HIS A 765 15.763 -7.106 -10.435 1.00 0.00 C ATOM 764 CG HIS A 765 14.717 -7.737 -11.304 1.00 0.00 C ATOM 765 ND1 HIS A 765 14.254 -9.021 -11.125 1.00 0.00 N ATOM 766 CD2 HIS A 765 14.057 -7.252 -12.385 1.00 0.00 C ATOM 767 CE1 HIS A 765 13.350 -9.271 -12.079 1.00 0.00 C ATOM 768 NE2 HIS A 765 13.192 -8.229 -12.871 1.00 0.00 N ATOM 0 H HIS A 765 16.128 -5.014 -11.722 1.00 0.00 H new ATOM 0 HA HIS A 765 14.327 -5.718 -9.626 1.00 0.00 H new ATOM 0 HB2 HIS A 765 16.688 -7.020 -11.004 1.00 0.00 H new ATOM 0 HB3 HIS A 765 15.967 -7.768 -9.593 1.00 0.00 H new ATOM 0 HD1 HIS A 765 14.548 -9.668 -10.394 1.00 0.00 H new ATOM 0 HD2 HIS A 765 14.183 -6.264 -12.803 1.00 0.00 H new ATOM 0 HE1 HIS A 765 12.819 -10.205 -12.186 1.00 0.00 H new ATOM 776 N GLY A 766 17.346 -4.773 -8.846 1.00 0.00 N ATOM 777 CA GLY A 766 18.213 -4.451 -7.731 1.00 0.00 C ATOM 778 C GLY A 766 19.310 -5.479 -7.552 1.00 0.00 C ATOM 779 O GLY A 766 19.750 -5.749 -6.433 1.00 0.00 O ATOM 0 H GLY A 766 17.688 -4.467 -9.757 1.00 0.00 H new ATOM 0 HA2 GLY A 766 18.658 -3.469 -7.890 1.00 0.00 H new ATOM 0 HA3 GLY A 766 17.621 -4.389 -6.818 1.00 0.00 H new ATOM 783 N LEU A 767 19.746 -6.060 -8.661 1.00 0.00 N ATOM 784 CA LEU A 767 20.798 -7.068 -8.644 1.00 0.00 C ATOM 785 C LEU A 767 22.100 -6.461 -9.146 1.00 0.00 C ATOM 786 O LEU A 767 22.147 -5.274 -9.481 1.00 0.00 O ATOM 787 CB LEU A 767 20.412 -8.255 -9.528 1.00 0.00 C ATOM 788 CG LEU A 767 19.061 -8.894 -9.211 1.00 0.00 C ATOM 789 CD1 LEU A 767 18.745 -9.980 -10.221 1.00 0.00 C ATOM 790 CD2 LEU A 767 19.053 -9.462 -7.800 1.00 0.00 C ATOM 0 H LEU A 767 19.384 -5.849 -9.591 1.00 0.00 H new ATOM 0 HA LEU A 767 20.930 -7.418 -7.620 1.00 0.00 H new ATOM 0 HB2 LEU A 767 20.405 -7.926 -10.567 1.00 0.00 H new ATOM 0 HB3 LEU A 767 21.185 -9.018 -9.441 1.00 0.00 H new ATOM 0 HG LEU A 767 18.292 -8.124 -9.273 1.00 0.00 H new ATOM 0 HD11 LEU A 767 17.780 -10.428 -9.984 1.00 0.00 H new ATOM 0 HD12 LEU A 767 18.709 -9.548 -11.221 1.00 0.00 H new ATOM 0 HD13 LEU A 767 19.519 -10.747 -10.185 1.00 0.00 H new ATOM 0 HD21 LEU A 767 18.082 -9.912 -7.595 1.00 0.00 H new ATOM 0 HD22 LEU A 767 19.831 -10.220 -7.708 1.00 0.00 H new ATOM 0 HD23 LEU A 767 19.240 -8.661 -7.084 1.00 0.00 H new ATOM 802 N ARG A 768 23.152 -7.263 -9.210 1.00 0.00 N ATOM 803 CA ARG A 768 24.423 -6.792 -9.731 1.00 0.00 C ATOM 804 C ARG A 768 24.598 -7.261 -11.169 1.00 0.00 C ATOM 805 O ARG A 768 24.194 -8.367 -11.520 1.00 0.00 O ATOM 806 CB ARG A 768 25.591 -7.283 -8.874 1.00 0.00 C ATOM 807 CG ARG A 768 26.936 -6.736 -9.325 1.00 0.00 C ATOM 808 CD ARG A 768 28.083 -7.320 -8.522 1.00 0.00 C ATOM 809 NE ARG A 768 29.370 -6.765 -8.942 1.00 0.00 N ATOM 810 CZ ARG A 768 30.509 -7.456 -8.985 1.00 0.00 C ATOM 811 NH1 ARG A 768 30.540 -8.737 -8.639 1.00 0.00 N ATOM 812 NH2 ARG A 768 31.622 -6.859 -9.389 1.00 0.00 N ATOM 0 H ARG A 768 23.150 -8.238 -8.909 1.00 0.00 H new ATOM 0 HA ARG A 768 24.419 -5.702 -9.702 1.00 0.00 H new ATOM 0 HB2 ARG A 768 25.418 -6.995 -7.837 1.00 0.00 H new ATOM 0 HB3 ARG A 768 25.621 -8.372 -8.902 1.00 0.00 H new ATOM 0 HG2 ARG A 768 27.082 -6.959 -10.382 1.00 0.00 H new ATOM 0 HG3 ARG A 768 26.938 -5.651 -9.225 1.00 0.00 H new ATOM 0 HD2 ARG A 768 27.927 -7.117 -7.462 1.00 0.00 H new ATOM 0 HD3 ARG A 768 28.097 -8.403 -8.641 1.00 0.00 H new ATOM 0 HE ARG A 768 29.397 -5.784 -9.220 1.00 0.00 H new ATOM 0 HH11 ARG A 768 29.686 -9.204 -8.336 1.00 0.00 H new ATOM 0 HH12 ARG A 768 31.418 -9.254 -8.676 1.00 0.00 H new ATOM 0 HH21 ARG A 768 31.603 -5.877 -9.664 1.00 0.00 H new ATOM 0 HH22 ARG A 768 32.497 -7.382 -9.424 1.00 0.00 H new ATOM 826 N HIS A 769 25.187 -6.416 -11.995 1.00 0.00 N ATOM 827 CA HIS A 769 25.377 -6.730 -13.403 1.00 0.00 C ATOM 828 C HIS A 769 26.637 -6.064 -13.940 1.00 0.00 C ATOM 829 O HIS A 769 26.968 -4.939 -13.561 1.00 0.00 O ATOM 830 CB HIS A 769 24.152 -6.303 -14.225 1.00 0.00 C ATOM 831 CG HIS A 769 23.637 -4.932 -13.900 1.00 0.00 C ATOM 832 ND1 HIS A 769 23.926 -3.852 -14.689 1.00 0.00 N ATOM 833 CD2 HIS A 769 22.843 -4.530 -12.877 1.00 0.00 C ATOM 834 CE1 HIS A 769 23.307 -2.825 -14.145 1.00 0.00 C ATOM 835 NE2 HIS A 769 22.641 -3.186 -13.041 1.00 0.00 N ATOM 0 H HIS A 769 25.544 -5.502 -11.715 1.00 0.00 H new ATOM 0 HA HIS A 769 25.494 -7.810 -13.496 1.00 0.00 H new ATOM 0 HB2 HIS A 769 24.409 -6.340 -15.284 1.00 0.00 H new ATOM 0 HB3 HIS A 769 23.352 -7.026 -14.065 1.00 0.00 H new ATOM 0 HD2 HIS A 769 22.447 -5.150 -12.086 1.00 0.00 H new ATOM 0 HE1 HIS A 769 23.333 -1.820 -14.539 1.00 0.00 H new ATOM 0 HE2 HIS A 769 22.089 -2.576 -12.438 1.00 0.00 H new ATOM 843 N ASP A 770 27.345 -6.781 -14.799 1.00 0.00 N ATOM 844 CA ASP A 770 28.567 -6.277 -15.414 1.00 0.00 C ATOM 845 C ASP A 770 28.874 -7.074 -16.672 1.00 0.00 C ATOM 846 O ASP A 770 28.484 -8.236 -16.789 1.00 0.00 O ATOM 847 CB ASP A 770 29.741 -6.358 -14.430 1.00 0.00 C ATOM 848 CG ASP A 770 31.066 -5.955 -15.050 1.00 0.00 C ATOM 849 OD1 ASP A 770 31.179 -4.817 -15.551 1.00 0.00 O ATOM 850 OD2 ASP A 770 32.007 -6.775 -15.026 1.00 0.00 O ATOM 0 H ASP A 770 27.092 -7.725 -15.090 1.00 0.00 H new ATOM 0 HA ASP A 770 28.421 -5.231 -15.682 1.00 0.00 H new ATOM 0 HB2 ASP A 770 29.536 -5.714 -13.575 1.00 0.00 H new ATOM 0 HB3 ASP A 770 29.819 -7.377 -14.050 1.00 0.00 H new ATOM 855 N SER A 771 29.555 -6.448 -17.614 1.00 0.00 N ATOM 856 CA SER A 771 29.864 -7.092 -18.874 1.00 0.00 C ATOM 857 C SER A 771 31.259 -7.704 -18.844 1.00 0.00 C ATOM 858 O SER A 771 32.215 -7.091 -18.370 1.00 0.00 O ATOM 859 CB SER A 771 29.760 -6.090 -20.016 1.00 0.00 C ATOM 860 OG SER A 771 28.567 -5.332 -19.919 1.00 0.00 O ATOM 0 H SER A 771 29.904 -5.493 -17.529 1.00 0.00 H new ATOM 0 HA SER A 771 29.141 -7.892 -19.033 1.00 0.00 H new ATOM 0 HB2 SER A 771 30.622 -5.423 -19.999 1.00 0.00 H new ATOM 0 HB3 SER A 771 29.784 -6.617 -20.970 1.00 0.00 H new ATOM 0 HG SER A 771 28.523 -4.695 -20.662 1.00 0.00 H new ATOM 976 N PHE A 779 29.991 -10.345 -23.270 1.00 0.00 N ATOM 977 CA PHE A 779 28.656 -10.740 -22.874 1.00 0.00 C ATOM 978 C PHE A 779 28.342 -10.100 -21.533 1.00 0.00 C ATOM 979 O PHE A 779 29.152 -9.337 -21.007 1.00 0.00 O ATOM 980 CB PHE A 779 28.537 -12.269 -22.795 1.00 0.00 C ATOM 981 CG PHE A 779 29.516 -12.930 -21.859 1.00 0.00 C ATOM 982 CD1 PHE A 779 29.205 -13.109 -20.519 1.00 0.00 C ATOM 983 CD2 PHE A 779 30.738 -13.388 -22.325 1.00 0.00 C ATOM 984 CE1 PHE A 779 30.094 -13.729 -19.664 1.00 0.00 C ATOM 985 CE2 PHE A 779 31.634 -14.006 -21.473 1.00 0.00 C ATOM 986 CZ PHE A 779 31.310 -14.178 -20.141 1.00 0.00 C ATOM 0 HA PHE A 779 27.937 -10.400 -23.619 1.00 0.00 H new ATOM 0 HB2 PHE A 779 27.525 -12.525 -22.481 1.00 0.00 H new ATOM 0 HB3 PHE A 779 28.675 -12.683 -23.794 1.00 0.00 H new ATOM 0 HD1 PHE A 779 28.256 -12.759 -20.140 1.00 0.00 H new ATOM 0 HD2 PHE A 779 30.993 -13.261 -23.367 1.00 0.00 H new ATOM 0 HE1 PHE A 779 29.839 -13.863 -18.623 1.00 0.00 H new ATOM 0 HE2 PHE A 779 32.585 -14.354 -21.848 1.00 0.00 H new ATOM 0 HZ PHE A 779 32.007 -14.663 -19.473 1.00 0.00 H new ATOM 996 N ILE A 780 27.189 -10.396 -20.970 1.00 0.00 N ATOM 997 CA ILE A 780 26.819 -9.803 -19.701 1.00 0.00 C ATOM 998 C ILE A 780 26.643 -10.873 -18.632 1.00 0.00 C ATOM 999 O ILE A 780 26.136 -11.964 -18.899 1.00 0.00 O ATOM 1000 CB ILE A 780 25.543 -8.943 -19.829 1.00 0.00 C ATOM 1001 CG1 ILE A 780 25.217 -8.275 -18.493 1.00 0.00 C ATOM 1002 CG2 ILE A 780 24.368 -9.780 -20.316 1.00 0.00 C ATOM 1003 CD1 ILE A 780 24.080 -7.290 -18.578 1.00 0.00 C ATOM 0 H ILE A 780 26.499 -11.035 -21.365 1.00 0.00 H new ATOM 0 HA ILE A 780 27.633 -9.145 -19.397 1.00 0.00 H new ATOM 0 HB ILE A 780 25.727 -8.165 -20.569 1.00 0.00 H new ATOM 0 HG12 ILE A 780 24.968 -9.044 -17.762 1.00 0.00 H new ATOM 0 HG13 ILE A 780 26.106 -7.762 -18.125 1.00 0.00 H new ATOM 0 HG21 ILE A 780 23.482 -9.151 -20.398 1.00 0.00 H new ATOM 0 HG22 ILE A 780 24.603 -10.204 -21.292 1.00 0.00 H new ATOM 0 HG23 ILE A 780 24.177 -10.586 -19.607 1.00 0.00 H new ATOM 0 HD11 ILE A 780 23.902 -6.854 -17.595 1.00 0.00 H new ATOM 0 HD12 ILE A 780 24.335 -6.500 -19.285 1.00 0.00 H new ATOM 0 HD13 ILE A 780 23.179 -7.802 -18.916 1.00 0.00 H new ATOM 1015 N THR A 781 27.104 -10.570 -17.431 1.00 0.00 N ATOM 1016 CA THR A 781 26.989 -11.483 -16.315 1.00 0.00 C ATOM 1017 C THR A 781 26.215 -10.822 -15.180 1.00 0.00 C ATOM 1018 O THR A 781 26.636 -9.793 -14.648 1.00 0.00 O ATOM 1019 CB THR A 781 28.380 -11.911 -15.812 1.00 0.00 C ATOM 1020 OG1 THR A 781 29.169 -12.377 -16.915 1.00 0.00 O ATOM 1021 CG2 THR A 781 28.269 -13.010 -14.764 1.00 0.00 C ATOM 0 H THR A 781 27.565 -9.689 -17.206 1.00 0.00 H new ATOM 0 HA THR A 781 26.453 -12.370 -16.653 1.00 0.00 H new ATOM 0 HB THR A 781 28.859 -11.046 -15.353 1.00 0.00 H new ATOM 0 HG1 THR A 781 30.054 -12.648 -16.593 1.00 0.00 H new ATOM 0 HG21 THR A 781 29.266 -13.293 -14.426 1.00 0.00 H new ATOM 0 HG22 THR A 781 27.688 -12.647 -13.916 1.00 0.00 H new ATOM 0 HG23 THR A 781 27.773 -13.878 -15.198 1.00 0.00 H new ATOM 1029 N VAL A 782 25.078 -11.401 -14.835 1.00 0.00 N ATOM 1030 CA VAL A 782 24.252 -10.884 -13.756 1.00 0.00 C ATOM 1031 C VAL A 782 24.476 -11.715 -12.503 1.00 0.00 C ATOM 1032 O VAL A 782 24.501 -12.939 -12.572 1.00 0.00 O ATOM 1033 CB VAL A 782 22.757 -10.929 -14.138 1.00 0.00 C ATOM 1034 CG1 VAL A 782 21.895 -10.226 -13.101 1.00 0.00 C ATOM 1035 CG2 VAL A 782 22.544 -10.322 -15.513 1.00 0.00 C ATOM 0 H VAL A 782 24.704 -12.234 -15.289 1.00 0.00 H new ATOM 0 HA VAL A 782 24.534 -9.847 -13.572 1.00 0.00 H new ATOM 0 HB VAL A 782 22.450 -11.975 -14.166 1.00 0.00 H new ATOM 0 HG11 VAL A 782 20.849 -10.277 -13.402 1.00 0.00 H new ATOM 0 HG12 VAL A 782 22.018 -10.714 -12.134 1.00 0.00 H new ATOM 0 HG13 VAL A 782 22.199 -9.182 -13.022 1.00 0.00 H new ATOM 0 HG21 VAL A 782 21.485 -10.361 -15.768 1.00 0.00 H new ATOM 0 HG22 VAL A 782 22.878 -9.284 -15.508 1.00 0.00 H new ATOM 0 HG23 VAL A 782 23.116 -10.884 -16.251 1.00 0.00 H new ATOM 1045 N SER A 783 24.658 -11.066 -11.370 1.00 0.00 N ATOM 1046 CA SER A 783 24.854 -11.782 -10.126 1.00 0.00 C ATOM 1047 C SER A 783 23.830 -11.356 -9.086 1.00 0.00 C ATOM 1048 O SER A 783 23.430 -10.189 -9.017 1.00 0.00 O ATOM 1049 CB SER A 783 26.283 -11.589 -9.618 1.00 0.00 C ATOM 1050 OG SER A 783 26.646 -10.220 -9.598 1.00 0.00 O ATOM 0 H SER A 783 24.674 -10.050 -11.285 1.00 0.00 H new ATOM 0 HA SER A 783 24.705 -12.846 -10.312 1.00 0.00 H new ATOM 0 HB2 SER A 783 26.373 -12.005 -8.615 1.00 0.00 H new ATOM 0 HB3 SER A 783 26.974 -12.141 -10.255 1.00 0.00 H new ATOM 0 HG SER A 783 27.574 -10.123 -9.899 1.00 0.00 H new ATOM 1056 N LYS A 784 23.390 -12.326 -8.297 1.00 0.00 N ATOM 1057 CA LYS A 784 22.364 -12.103 -7.292 1.00 0.00 C ATOM 1058 C LYS A 784 22.881 -11.232 -6.152 1.00 0.00 C ATOM 1059 O LYS A 784 22.257 -10.238 -5.782 1.00 0.00 O ATOM 1060 CB LYS A 784 21.886 -13.446 -6.747 1.00 0.00 C ATOM 1061 CG LYS A 784 21.153 -14.296 -7.774 1.00 0.00 C ATOM 1062 CD LYS A 784 20.961 -15.724 -7.291 1.00 0.00 C ATOM 1063 CE LYS A 784 20.107 -15.790 -6.037 1.00 0.00 C ATOM 1064 NZ LYS A 784 20.051 -17.167 -5.478 1.00 0.00 N ATOM 0 H LYS A 784 23.733 -13.286 -8.336 1.00 0.00 H new ATOM 0 HA LYS A 784 21.532 -11.578 -7.762 1.00 0.00 H new ATOM 0 HB2 LYS A 784 22.745 -14.003 -6.374 1.00 0.00 H new ATOM 0 HB3 LYS A 784 21.227 -13.270 -5.897 1.00 0.00 H new ATOM 0 HG2 LYS A 784 20.181 -13.851 -7.987 1.00 0.00 H new ATOM 0 HG3 LYS A 784 21.714 -14.301 -8.709 1.00 0.00 H new ATOM 0 HD2 LYS A 784 20.494 -16.314 -8.080 1.00 0.00 H new ATOM 0 HD3 LYS A 784 21.934 -16.173 -7.091 1.00 0.00 H new ATOM 0 HE2 LYS A 784 20.510 -15.109 -5.287 1.00 0.00 H new ATOM 0 HE3 LYS A 784 19.097 -15.450 -6.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 784 19.459 -17.171 -4.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 784 19.643 -17.812 -6.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 784 21.012 -17.482 -5.235 1.00 0.00 H new