USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=15 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= -0.436 K(o=-0.31,f=-10!) USER MOD Set 1.2: A 769 HIS : no HD1:sc= 0.128 K(o=-0.31,f=-12!) USER MOD Set 2.1: A 751 ASN :FLIP amide:sc= 1.18 F(o=-2.2!,f=1.2) USER MOD Set 2.2: A 753 HIS :FLIP no HD1:sc= 0 X(o=1.2,f=1.2) USER MOD Set 3.1: A 742 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 743 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 4.1: A 737 MET CE :methyl -147:sc= -0.592 (180deg=-0.753) USER MOD Set 4.2: A 765 HIS : no HD1:sc= -0.301 K(o=-0.89,f=-1.9) USER MOD Single : A 728 HIS : no HD1:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 732 MET CE :methyl -162:sc= -0.0191 (180deg=-0.261) USER MOD Single : A 739 SER OG : rot 79:sc= 1.28 USER MOD Single : A 740 LYS NZ :NH3+ 165:sc= -0.065 (180deg=-0.352) USER MOD Single : A 741 LYS NZ :NH3+ 147:sc= 1.28 (180deg=1.12) USER MOD Single : A 749 SER OG : rot 180:sc= 0 USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 760 GLN :FLIP amide:sc= -0.709 F(o=-1.5,f=-0.71) USER MOD Single : A 771 SER OG : rot 180:sc= 0 USER MOD Single : A 781 THR OG1 : rot -39:sc= 0.23 USER MOD Single : A 783 SER OG : rot 27:sc= 1.06 USER MOD Single : A 784 LYS NZ :NH3+ -118:sc= -0.0889 (180deg=-1.23) USER MOD ----------------------------------------------------------------- ATOM 143 N HIS A 728 11.903 -11.909 -22.494 1.00 0.00 N ATOM 144 CA HIS A 728 12.925 -12.954 -22.540 1.00 0.00 C ATOM 145 C HIS A 728 13.915 -12.789 -21.390 1.00 0.00 C ATOM 146 O HIS A 728 14.015 -13.653 -20.519 1.00 0.00 O ATOM 147 CB HIS A 728 13.673 -12.926 -23.881 1.00 0.00 C ATOM 148 CG HIS A 728 14.613 -14.078 -24.077 1.00 0.00 C ATOM 149 ND1 HIS A 728 14.349 -15.154 -24.894 1.00 0.00 N ATOM 150 CD2 HIS A 728 15.843 -14.305 -23.547 1.00 0.00 C ATOM 151 CE1 HIS A 728 15.399 -15.982 -24.836 1.00 0.00 C ATOM 152 NE2 HIS A 728 16.335 -15.512 -24.033 1.00 0.00 N ATOM 0 HA HIS A 728 12.425 -13.917 -22.439 1.00 0.00 H new ATOM 0 HB2 HIS A 728 12.945 -12.922 -24.692 1.00 0.00 H new ATOM 0 HB3 HIS A 728 14.235 -11.995 -23.953 1.00 0.00 H new ATOM 0 HD2 HIS A 728 16.357 -13.652 -22.858 1.00 0.00 H new ATOM 0 HE1 HIS A 728 15.471 -16.914 -25.376 1.00 0.00 H new ATOM 0 HE2 HIS A 728 17.233 -15.944 -23.814 1.00 0.00 H new ATOM 160 N PHE A 729 14.609 -11.659 -21.365 1.00 0.00 N ATOM 161 CA PHE A 729 15.657 -11.432 -20.380 1.00 0.00 C ATOM 162 C PHE A 729 15.059 -11.224 -18.993 1.00 0.00 C ATOM 163 O PHE A 729 15.653 -11.617 -17.993 1.00 0.00 O ATOM 164 CB PHE A 729 16.534 -10.246 -20.791 1.00 0.00 C ATOM 165 CG PHE A 729 17.311 -10.501 -22.057 1.00 0.00 C ATOM 166 CD1 PHE A 729 18.133 -11.613 -22.165 1.00 0.00 C ATOM 167 CD2 PHE A 729 17.222 -9.635 -23.137 1.00 0.00 C ATOM 168 CE1 PHE A 729 18.850 -11.854 -23.323 1.00 0.00 C ATOM 169 CE2 PHE A 729 17.939 -9.874 -24.295 1.00 0.00 C ATOM 170 CZ PHE A 729 18.751 -10.984 -24.387 1.00 0.00 C ATOM 0 H PHE A 729 14.465 -10.886 -22.015 1.00 0.00 H new ATOM 0 HA PHE A 729 16.290 -12.318 -20.339 1.00 0.00 H new ATOM 0 HB2 PHE A 729 15.905 -9.366 -20.928 1.00 0.00 H new ATOM 0 HB3 PHE A 729 17.230 -10.018 -19.983 1.00 0.00 H new ATOM 0 HD1 PHE A 729 18.214 -12.299 -21.335 1.00 0.00 H new ATOM 0 HD2 PHE A 729 16.586 -8.765 -23.073 1.00 0.00 H new ATOM 0 HE1 PHE A 729 19.487 -12.723 -23.393 1.00 0.00 H new ATOM 0 HE2 PHE A 729 17.863 -9.191 -25.128 1.00 0.00 H new ATOM 0 HZ PHE A 729 19.309 -11.172 -25.292 1.00 0.00 H new ATOM 180 N ARG A 730 13.878 -10.621 -18.944 1.00 0.00 N ATOM 181 CA ARG A 730 13.125 -10.493 -17.694 1.00 0.00 C ATOM 182 C ARG A 730 12.912 -11.866 -17.059 1.00 0.00 C ATOM 183 O ARG A 730 13.152 -12.056 -15.866 1.00 0.00 O ATOM 184 CB ARG A 730 11.768 -9.831 -17.972 1.00 0.00 C ATOM 185 CG ARG A 730 10.783 -9.858 -16.810 1.00 0.00 C ATOM 186 CD ARG A 730 11.178 -8.915 -15.681 1.00 0.00 C ATOM 187 NE ARG A 730 10.123 -8.835 -14.667 1.00 0.00 N ATOM 188 CZ ARG A 730 9.863 -7.755 -13.930 1.00 0.00 C ATOM 189 NH1 ARG A 730 10.622 -6.669 -14.036 1.00 0.00 N ATOM 190 NH2 ARG A 730 8.843 -7.775 -13.078 1.00 0.00 N ATOM 0 H ARG A 730 13.416 -10.210 -19.756 1.00 0.00 H new ATOM 0 HA ARG A 730 13.695 -9.872 -17.002 1.00 0.00 H new ATOM 0 HB2 ARG A 730 11.940 -8.793 -18.258 1.00 0.00 H new ATOM 0 HB3 ARG A 730 11.309 -10.326 -18.828 1.00 0.00 H new ATOM 0 HG2 ARG A 730 9.792 -9.588 -17.173 1.00 0.00 H new ATOM 0 HG3 ARG A 730 10.714 -10.874 -16.421 1.00 0.00 H new ATOM 0 HD2 ARG A 730 12.103 -9.261 -15.221 1.00 0.00 H new ATOM 0 HD3 ARG A 730 11.375 -7.922 -16.085 1.00 0.00 H new ATOM 0 HE ARG A 730 9.548 -9.663 -14.515 1.00 0.00 H new ATOM 0 HH11 ARG A 730 11.409 -6.658 -14.684 1.00 0.00 H new ATOM 0 HH12 ARG A 730 10.417 -5.846 -13.469 1.00 0.00 H new ATOM 0 HH21 ARG A 730 8.267 -8.612 -12.992 1.00 0.00 H new ATOM 0 HH22 ARG A 730 8.637 -6.953 -12.510 1.00 0.00 H new ATOM 204 N ALA A 731 12.472 -12.818 -17.876 1.00 0.00 N ATOM 205 CA ALA A 731 12.221 -14.178 -17.421 1.00 0.00 C ATOM 206 C ALA A 731 13.520 -14.839 -16.979 1.00 0.00 C ATOM 207 O ALA A 731 13.574 -15.516 -15.954 1.00 0.00 O ATOM 208 CB ALA A 731 11.557 -14.989 -18.526 1.00 0.00 C ATOM 0 H ALA A 731 12.281 -12.668 -18.867 1.00 0.00 H new ATOM 0 HA ALA A 731 11.547 -14.141 -16.565 1.00 0.00 H new ATOM 0 HB1 ALA A 731 11.375 -16.004 -18.173 1.00 0.00 H new ATOM 0 HB2 ALA A 731 10.610 -14.524 -18.799 1.00 0.00 H new ATOM 0 HB3 ALA A 731 12.211 -15.020 -19.398 1.00 0.00 H new ATOM 214 N MET A 732 14.568 -14.622 -17.760 1.00 0.00 N ATOM 215 CA MET A 732 15.879 -15.178 -17.464 1.00 0.00 C ATOM 216 C MET A 732 16.396 -14.675 -16.117 1.00 0.00 C ATOM 217 O MET A 732 16.977 -15.433 -15.349 1.00 0.00 O ATOM 218 CB MET A 732 16.856 -14.808 -18.579 1.00 0.00 C ATOM 219 CG MET A 732 16.423 -15.313 -19.947 1.00 0.00 C ATOM 220 SD MET A 732 17.064 -16.953 -20.329 1.00 0.00 S ATOM 221 CE MET A 732 18.784 -16.555 -20.638 1.00 0.00 C ATOM 0 H MET A 732 14.534 -14.060 -18.610 1.00 0.00 H new ATOM 0 HA MET A 732 15.792 -16.263 -17.405 1.00 0.00 H new ATOM 0 HB2 MET A 732 16.962 -13.724 -18.616 1.00 0.00 H new ATOM 0 HB3 MET A 732 17.839 -15.216 -18.342 1.00 0.00 H new ATOM 0 HG2 MET A 732 15.334 -15.335 -19.992 1.00 0.00 H new ATOM 0 HG3 MET A 732 16.759 -14.611 -20.710 1.00 0.00 H new ATOM 0 HE1 MET A 732 19.253 -17.371 -21.188 1.00 0.00 H new ATOM 0 HE2 MET A 732 18.846 -15.639 -21.225 1.00 0.00 H new ATOM 0 HE3 MET A 732 19.301 -16.413 -19.689 1.00 0.00 H new ATOM 231 N ILE A 733 16.157 -13.401 -15.835 1.00 0.00 N ATOM 232 CA ILE A 733 16.622 -12.780 -14.602 1.00 0.00 C ATOM 233 C ILE A 733 15.786 -13.215 -13.397 1.00 0.00 C ATOM 234 O ILE A 733 16.330 -13.563 -12.346 1.00 0.00 O ATOM 235 CB ILE A 733 16.603 -11.239 -14.733 1.00 0.00 C ATOM 236 CG1 ILE A 733 17.670 -10.782 -15.732 1.00 0.00 C ATOM 237 CG2 ILE A 733 16.816 -10.570 -13.383 1.00 0.00 C ATOM 238 CD1 ILE A 733 17.665 -9.292 -16.001 1.00 0.00 C ATOM 0 H ILE A 733 15.639 -12.773 -16.450 1.00 0.00 H new ATOM 0 HA ILE A 733 17.646 -13.113 -14.435 1.00 0.00 H new ATOM 0 HB ILE A 733 15.622 -10.941 -15.102 1.00 0.00 H new ATOM 0 HG12 ILE A 733 18.652 -11.069 -15.356 1.00 0.00 H new ATOM 0 HG13 ILE A 733 17.522 -11.311 -16.673 1.00 0.00 H new ATOM 0 HG21 ILE A 733 16.798 -9.487 -13.507 1.00 0.00 H new ATOM 0 HG22 ILE A 733 16.023 -10.871 -12.699 1.00 0.00 H new ATOM 0 HG23 ILE A 733 17.781 -10.872 -12.975 1.00 0.00 H new ATOM 0 HD11 ILE A 733 18.449 -9.049 -16.718 1.00 0.00 H new ATOM 0 HD12 ILE A 733 16.697 -8.999 -16.408 1.00 0.00 H new ATOM 0 HD13 ILE A 733 17.845 -8.754 -15.070 1.00 0.00 H new ATOM 250 N VAL A 734 14.466 -13.213 -13.548 1.00 0.00 N ATOM 251 CA VAL A 734 13.591 -13.562 -12.437 1.00 0.00 C ATOM 252 C VAL A 734 13.761 -15.032 -12.049 1.00 0.00 C ATOM 253 O VAL A 734 13.758 -15.372 -10.866 1.00 0.00 O ATOM 254 CB VAL A 734 12.101 -13.246 -12.732 1.00 0.00 C ATOM 255 CG1 VAL A 734 11.548 -14.130 -13.838 1.00 0.00 C ATOM 256 CG2 VAL A 734 11.265 -13.378 -11.468 1.00 0.00 C ATOM 0 H VAL A 734 13.985 -12.977 -14.416 1.00 0.00 H new ATOM 0 HA VAL A 734 13.890 -12.938 -11.595 1.00 0.00 H new ATOM 0 HB VAL A 734 12.045 -12.214 -13.079 1.00 0.00 H new ATOM 0 HG11 VAL A 734 10.502 -13.879 -14.016 1.00 0.00 H new ATOM 0 HG12 VAL A 734 12.120 -13.970 -14.752 1.00 0.00 H new ATOM 0 HG13 VAL A 734 11.624 -15.176 -13.540 1.00 0.00 H new ATOM 0 HG21 VAL A 734 10.223 -13.152 -11.696 1.00 0.00 H new ATOM 0 HG22 VAL A 734 11.341 -14.396 -11.086 1.00 0.00 H new ATOM 0 HG23 VAL A 734 11.631 -12.680 -10.715 1.00 0.00 H new ATOM 266 N GLU A 735 13.955 -15.896 -13.041 1.00 0.00 N ATOM 267 CA GLU A 735 14.157 -17.313 -12.774 1.00 0.00 C ATOM 268 C GLU A 735 15.602 -17.575 -12.362 1.00 0.00 C ATOM 269 O GLU A 735 15.899 -18.576 -11.717 1.00 0.00 O ATOM 270 CB GLU A 735 13.776 -18.161 -13.991 1.00 0.00 C ATOM 271 CG GLU A 735 12.309 -18.028 -14.379 1.00 0.00 C ATOM 272 CD GLU A 735 11.877 -19.043 -15.417 1.00 0.00 C ATOM 273 OE1 GLU A 735 12.092 -18.805 -16.623 1.00 0.00 O ATOM 274 OE2 GLU A 735 11.302 -20.084 -15.031 1.00 0.00 O ATOM 0 H GLU A 735 13.976 -15.641 -14.028 1.00 0.00 H new ATOM 0 HA GLU A 735 13.505 -17.601 -11.950 1.00 0.00 H new ATOM 0 HB2 GLU A 735 14.397 -17.869 -14.838 1.00 0.00 H new ATOM 0 HB3 GLU A 735 13.996 -19.207 -13.780 1.00 0.00 H new ATOM 0 HG2 GLU A 735 11.691 -18.142 -13.488 1.00 0.00 H new ATOM 0 HG3 GLU A 735 12.130 -17.024 -14.764 1.00 0.00 H new ATOM 281 N PHE A 736 16.494 -16.660 -12.729 1.00 0.00 N ATOM 282 CA PHE A 736 17.889 -16.713 -12.296 1.00 0.00 C ATOM 283 C PHE A 736 17.981 -16.625 -10.777 1.00 0.00 C ATOM 284 O PHE A 736 18.696 -17.401 -10.139 1.00 0.00 O ATOM 285 CB PHE A 736 18.677 -15.573 -12.953 1.00 0.00 C ATOM 286 CG PHE A 736 19.999 -15.247 -12.314 1.00 0.00 C ATOM 287 CD1 PHE A 736 21.018 -16.186 -12.242 1.00 0.00 C ATOM 288 CD2 PHE A 736 20.224 -13.980 -11.804 1.00 0.00 C ATOM 289 CE1 PHE A 736 22.236 -15.859 -11.670 1.00 0.00 C ATOM 290 CE2 PHE A 736 21.435 -13.652 -11.232 1.00 0.00 C ATOM 291 CZ PHE A 736 22.441 -14.591 -11.166 1.00 0.00 C ATOM 0 H PHE A 736 16.274 -15.866 -13.330 1.00 0.00 H new ATOM 0 HA PHE A 736 18.321 -17.665 -12.605 1.00 0.00 H new ATOM 0 HB2 PHE A 736 18.852 -15.831 -13.998 1.00 0.00 H new ATOM 0 HB3 PHE A 736 18.058 -14.676 -12.945 1.00 0.00 H new ATOM 0 HD1 PHE A 736 20.860 -17.179 -12.635 1.00 0.00 H new ATOM 0 HD2 PHE A 736 19.441 -13.238 -11.855 1.00 0.00 H new ATOM 0 HE1 PHE A 736 23.024 -16.595 -11.618 1.00 0.00 H new ATOM 0 HE2 PHE A 736 21.595 -12.660 -10.836 1.00 0.00 H new ATOM 0 HZ PHE A 736 23.390 -14.335 -10.720 1.00 0.00 H new ATOM 301 N MET A 737 17.238 -15.683 -10.208 1.00 0.00 N ATOM 302 CA MET A 737 17.195 -15.512 -8.760 1.00 0.00 C ATOM 303 C MET A 737 16.669 -16.778 -8.086 1.00 0.00 C ATOM 304 O MET A 737 17.119 -17.151 -7.004 1.00 0.00 O ATOM 305 CB MET A 737 16.328 -14.306 -8.376 1.00 0.00 C ATOM 306 CG MET A 737 16.823 -12.990 -8.957 1.00 0.00 C ATOM 307 SD MET A 737 15.983 -11.550 -8.261 1.00 0.00 S ATOM 308 CE MET A 737 14.276 -11.885 -8.687 1.00 0.00 C ATOM 0 H MET A 737 16.657 -15.025 -10.727 1.00 0.00 H new ATOM 0 HA MET A 737 18.211 -15.327 -8.412 1.00 0.00 H new ATOM 0 HB2 MET A 737 15.307 -14.481 -8.714 1.00 0.00 H new ATOM 0 HB3 MET A 737 16.295 -14.224 -7.290 1.00 0.00 H new ATOM 0 HG2 MET A 737 17.894 -12.900 -8.778 1.00 0.00 H new ATOM 0 HG3 MET A 737 16.680 -13.000 -10.038 1.00 0.00 H new ATOM 0 HE1 MET A 737 13.757 -10.945 -8.876 1.00 0.00 H new ATOM 0 HE2 MET A 737 14.240 -12.506 -9.582 1.00 0.00 H new ATOM 0 HE3 MET A 737 13.791 -12.408 -7.863 1.00 0.00 H new ATOM 318 N ALA A 738 15.740 -17.454 -8.754 1.00 0.00 N ATOM 319 CA ALA A 738 15.138 -18.670 -8.219 1.00 0.00 C ATOM 320 C ALA A 738 16.061 -19.869 -8.404 1.00 0.00 C ATOM 321 O ALA A 738 16.044 -20.808 -7.606 1.00 0.00 O ATOM 322 CB ALA A 738 13.792 -18.929 -8.878 1.00 0.00 C ATOM 0 H ALA A 738 15.387 -17.179 -9.670 1.00 0.00 H new ATOM 0 HA ALA A 738 14.983 -18.527 -7.150 1.00 0.00 H new ATOM 0 HB1 ALA A 738 13.355 -19.840 -8.468 1.00 0.00 H new ATOM 0 HB2 ALA A 738 13.125 -18.089 -8.686 1.00 0.00 H new ATOM 0 HB3 ALA A 738 13.929 -19.044 -9.953 1.00 0.00 H new ATOM 328 N SER A 739 16.870 -19.823 -9.458 1.00 0.00 N ATOM 329 CA SER A 739 17.808 -20.898 -9.764 1.00 0.00 C ATOM 330 C SER A 739 18.987 -20.889 -8.796 1.00 0.00 C ATOM 331 O SER A 739 19.717 -21.873 -8.693 1.00 0.00 O ATOM 332 CB SER A 739 18.306 -20.768 -11.203 1.00 0.00 C ATOM 333 OG SER A 739 17.236 -20.886 -12.126 1.00 0.00 O ATOM 0 H SER A 739 16.894 -19.047 -10.119 1.00 0.00 H new ATOM 0 HA SER A 739 17.285 -21.848 -9.652 1.00 0.00 H new ATOM 0 HB2 SER A 739 18.799 -19.805 -11.335 1.00 0.00 H new ATOM 0 HB3 SER A 739 19.051 -21.538 -11.404 1.00 0.00 H new ATOM 0 HG SER A 739 16.741 -20.041 -12.162 1.00 0.00 H new ATOM 339 N LYS A 740 19.176 -19.759 -8.110 1.00 0.00 N ATOM 340 CA LYS A 740 20.179 -19.630 -7.047 1.00 0.00 C ATOM 341 C LYS A 740 21.607 -19.645 -7.584 1.00 0.00 C ATOM 342 O LYS A 740 22.558 -19.849 -6.823 1.00 0.00 O ATOM 343 CB LYS A 740 19.995 -20.727 -5.994 1.00 0.00 C ATOM 344 CG LYS A 740 18.692 -20.607 -5.223 1.00 0.00 C ATOM 345 CD LYS A 740 18.471 -21.796 -4.302 1.00 0.00 C ATOM 346 CE LYS A 740 17.184 -21.649 -3.507 1.00 0.00 C ATOM 347 NZ LYS A 740 16.007 -21.449 -4.395 1.00 0.00 N ATOM 0 H LYS A 740 18.639 -18.908 -8.275 1.00 0.00 H new ATOM 0 HA LYS A 740 20.021 -18.657 -6.582 1.00 0.00 H new ATOM 0 HB2 LYS A 740 20.031 -21.700 -6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 740 20.829 -20.691 -5.293 1.00 0.00 H new ATOM 0 HG2 LYS A 740 18.700 -19.689 -4.636 1.00 0.00 H new ATOM 0 HG3 LYS A 740 17.861 -20.530 -5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 740 18.434 -22.713 -4.891 1.00 0.00 H new ATOM 0 HD3 LYS A 740 19.314 -21.890 -3.618 1.00 0.00 H new ATOM 0 HE2 LYS A 740 17.031 -22.538 -2.895 1.00 0.00 H new ATOM 0 HE3 LYS A 740 17.273 -20.804 -2.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 15.133 -21.606 -3.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 16.014 -20.478 -4.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 16.050 -22.123 -5.186 1.00 0.00 H new ATOM 361 N LYS A 741 21.764 -19.414 -8.882 1.00 0.00 N ATOM 362 CA LYS A 741 23.093 -19.240 -9.451 1.00 0.00 C ATOM 363 C LYS A 741 23.674 -17.921 -8.969 1.00 0.00 C ATOM 364 O LYS A 741 22.964 -16.923 -8.887 1.00 0.00 O ATOM 365 CB LYS A 741 23.065 -19.261 -10.985 1.00 0.00 C ATOM 366 CG LYS A 741 22.940 -20.652 -11.591 1.00 0.00 C ATOM 367 CD LYS A 741 23.131 -20.627 -13.107 1.00 0.00 C ATOM 368 CE LYS A 741 24.495 -20.066 -13.495 1.00 0.00 C ATOM 369 NZ LYS A 741 24.728 -20.105 -14.963 1.00 0.00 N ATOM 0 H LYS A 741 20.998 -19.344 -9.552 1.00 0.00 H new ATOM 0 HA LYS A 741 23.714 -20.072 -9.120 1.00 0.00 H new ATOM 0 HB2 LYS A 741 22.230 -18.651 -11.330 1.00 0.00 H new ATOM 0 HB3 LYS A 741 23.976 -18.795 -11.360 1.00 0.00 H new ATOM 0 HG2 LYS A 741 23.681 -21.313 -11.142 1.00 0.00 H new ATOM 0 HG3 LYS A 741 21.960 -21.065 -11.354 1.00 0.00 H new ATOM 0 HD2 LYS A 741 23.027 -21.637 -13.504 1.00 0.00 H new ATOM 0 HD3 LYS A 741 22.346 -20.023 -13.563 1.00 0.00 H new ATOM 0 HE2 LYS A 741 24.574 -19.037 -13.145 1.00 0.00 H new ATOM 0 HE3 LYS A 741 25.276 -20.636 -12.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 741 25.311 -19.291 -15.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 741 25.220 -20.986 -15.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 741 23.816 -20.065 -15.460 1.00 0.00 H new ATOM 383 N MET A 742 24.952 -17.918 -8.635 1.00 0.00 N ATOM 384 CA MET A 742 25.594 -16.710 -8.134 1.00 0.00 C ATOM 385 C MET A 742 25.810 -15.709 -9.261 1.00 0.00 C ATOM 386 O MET A 742 25.781 -14.494 -9.043 1.00 0.00 O ATOM 387 CB MET A 742 26.928 -17.039 -7.460 1.00 0.00 C ATOM 388 CG MET A 742 27.940 -17.710 -8.374 1.00 0.00 C ATOM 389 SD MET A 742 29.497 -18.081 -7.540 1.00 0.00 S ATOM 390 CE MET A 742 30.406 -18.874 -8.866 1.00 0.00 C ATOM 0 H MET A 742 25.565 -18.731 -8.700 1.00 0.00 H new ATOM 0 HA MET A 742 24.933 -16.264 -7.391 1.00 0.00 H new ATOM 0 HB2 MET A 742 27.362 -16.118 -7.070 1.00 0.00 H new ATOM 0 HB3 MET A 742 26.740 -17.689 -6.606 1.00 0.00 H new ATOM 0 HG2 MET A 742 27.513 -18.634 -8.765 1.00 0.00 H new ATOM 0 HG3 MET A 742 28.136 -17.063 -9.229 1.00 0.00 H new ATOM 0 HE1 MET A 742 31.394 -19.164 -8.508 1.00 0.00 H new ATOM 0 HE2 MET A 742 29.866 -19.761 -9.198 1.00 0.00 H new ATOM 0 HE3 MET A 742 30.512 -18.180 -9.700 1.00 0.00 H new ATOM 400 N GLN A 743 26.020 -16.227 -10.466 1.00 0.00 N ATOM 401 CA GLN A 743 26.245 -15.400 -11.642 1.00 0.00 C ATOM 402 C GLN A 743 25.593 -16.046 -12.857 1.00 0.00 C ATOM 403 O GLN A 743 25.669 -17.260 -13.031 1.00 0.00 O ATOM 404 CB GLN A 743 27.746 -15.213 -11.896 1.00 0.00 C ATOM 405 CG GLN A 743 28.467 -14.440 -10.803 1.00 0.00 C ATOM 406 CD GLN A 743 29.969 -14.390 -11.010 1.00 0.00 C ATOM 407 OE1 GLN A 743 30.698 -15.268 -10.548 1.00 0.00 O ATOM 408 NE2 GLN A 743 30.444 -13.359 -11.696 1.00 0.00 N ATOM 0 H GLN A 743 26.039 -17.230 -10.653 1.00 0.00 H new ATOM 0 HA GLN A 743 25.800 -14.421 -11.467 1.00 0.00 H new ATOM 0 HB2 GLN A 743 28.211 -16.193 -12.001 1.00 0.00 H new ATOM 0 HB3 GLN A 743 27.881 -14.693 -12.844 1.00 0.00 H new ATOM 0 HG2 GLN A 743 28.076 -13.423 -10.765 1.00 0.00 H new ATOM 0 HG3 GLN A 743 28.253 -14.900 -9.838 1.00 0.00 H new ATOM 0 HE21 GLN A 743 29.806 -12.653 -12.062 1.00 0.00 H new ATOM 0 HE22 GLN A 743 31.447 -13.273 -11.857 1.00 0.00 H new ATOM 417 N LEU A 744 24.931 -15.240 -13.671 1.00 0.00 N ATOM 418 CA LEU A 744 24.335 -15.720 -14.903 1.00 0.00 C ATOM 419 C LEU A 744 25.066 -15.123 -16.089 1.00 0.00 C ATOM 420 O LEU A 744 25.008 -13.913 -16.332 1.00 0.00 O ATOM 421 CB LEU A 744 22.846 -15.373 -14.977 1.00 0.00 C ATOM 422 CG LEU A 744 22.121 -15.898 -16.217 1.00 0.00 C ATOM 423 CD1 LEU A 744 22.205 -17.414 -16.289 1.00 0.00 C ATOM 424 CD2 LEU A 744 20.670 -15.448 -16.215 1.00 0.00 C ATOM 0 H LEU A 744 24.793 -14.244 -13.497 1.00 0.00 H new ATOM 0 HA LEU A 744 24.426 -16.806 -14.924 1.00 0.00 H new ATOM 0 HB2 LEU A 744 22.351 -15.770 -14.090 1.00 0.00 H new ATOM 0 HB3 LEU A 744 22.739 -14.289 -14.944 1.00 0.00 H new ATOM 0 HG LEU A 744 22.612 -15.486 -17.099 1.00 0.00 H new ATOM 0 HD11 LEU A 744 21.683 -17.765 -17.179 1.00 0.00 H new ATOM 0 HD12 LEU A 744 23.250 -17.719 -16.338 1.00 0.00 H new ATOM 0 HD13 LEU A 744 21.742 -17.847 -15.402 1.00 0.00 H new ATOM 0 HD21 LEU A 744 20.169 -15.830 -17.104 1.00 0.00 H new ATOM 0 HD22 LEU A 744 20.171 -15.831 -15.325 1.00 0.00 H new ATOM 0 HD23 LEU A 744 20.627 -14.359 -16.214 1.00 0.00 H new ATOM 436 N GLU A 745 25.780 -15.973 -16.791 1.00 0.00 N ATOM 437 CA GLU A 745 26.516 -15.570 -17.973 1.00 0.00 C ATOM 438 C GLU A 745 25.604 -15.625 -19.190 1.00 0.00 C ATOM 439 O GLU A 745 25.232 -16.706 -19.649 1.00 0.00 O ATOM 440 CB GLU A 745 27.731 -16.480 -18.195 1.00 0.00 C ATOM 441 CG GLU A 745 28.257 -17.142 -16.928 1.00 0.00 C ATOM 442 CD GLU A 745 27.507 -18.418 -16.579 1.00 0.00 C ATOM 443 OE1 GLU A 745 27.899 -19.497 -17.069 1.00 0.00 O ATOM 444 OE2 GLU A 745 26.514 -18.348 -15.824 1.00 0.00 O ATOM 0 H GLU A 745 25.869 -16.963 -16.561 1.00 0.00 H new ATOM 0 HA GLU A 745 26.870 -14.549 -17.828 1.00 0.00 H new ATOM 0 HB2 GLU A 745 27.463 -17.256 -18.912 1.00 0.00 H new ATOM 0 HB3 GLU A 745 28.532 -15.894 -18.644 1.00 0.00 H new ATOM 0 HG2 GLU A 745 29.315 -17.370 -17.055 1.00 0.00 H new ATOM 0 HG3 GLU A 745 28.179 -16.441 -16.097 1.00 0.00 H new ATOM 451 N PHE A 746 25.226 -14.464 -19.696 1.00 0.00 N ATOM 452 CA PHE A 746 24.394 -14.393 -20.887 1.00 0.00 C ATOM 453 C PHE A 746 25.236 -14.615 -22.137 1.00 0.00 C ATOM 454 O PHE A 746 26.444 -14.377 -22.126 1.00 0.00 O ATOM 455 CB PHE A 746 23.679 -13.045 -20.965 1.00 0.00 C ATOM 456 CG PHE A 746 22.507 -12.925 -20.034 1.00 0.00 C ATOM 457 CD1 PHE A 746 22.675 -12.467 -18.738 1.00 0.00 C ATOM 458 CD2 PHE A 746 21.233 -13.271 -20.458 1.00 0.00 C ATOM 459 CE1 PHE A 746 21.594 -12.352 -17.885 1.00 0.00 C ATOM 460 CE2 PHE A 746 20.151 -13.157 -19.609 1.00 0.00 C ATOM 461 CZ PHE A 746 20.331 -12.698 -18.321 1.00 0.00 C ATOM 0 H PHE A 746 25.481 -13.558 -19.302 1.00 0.00 H new ATOM 0 HA PHE A 746 23.642 -15.180 -20.827 1.00 0.00 H new ATOM 0 HB2 PHE A 746 24.393 -12.252 -20.740 1.00 0.00 H new ATOM 0 HB3 PHE A 746 23.337 -12.885 -21.987 1.00 0.00 H new ATOM 0 HD1 PHE A 746 23.661 -12.197 -18.390 1.00 0.00 H new ATOM 0 HD2 PHE A 746 21.086 -13.634 -21.464 1.00 0.00 H new ATOM 0 HE1 PHE A 746 21.737 -11.991 -16.877 1.00 0.00 H new ATOM 0 HE2 PHE A 746 19.164 -13.427 -19.953 1.00 0.00 H new ATOM 0 HZ PHE A 746 19.485 -12.609 -17.655 1.00 0.00 H new ATOM 471 N PRO A 747 24.613 -15.099 -23.224 1.00 0.00 N ATOM 472 CA PRO A 747 25.302 -15.317 -24.501 1.00 0.00 C ATOM 473 C PRO A 747 25.887 -14.024 -25.071 1.00 0.00 C ATOM 474 O PRO A 747 25.333 -12.942 -24.883 1.00 0.00 O ATOM 475 CB PRO A 747 24.199 -15.850 -25.425 1.00 0.00 C ATOM 476 CG PRO A 747 23.146 -16.370 -24.508 1.00 0.00 C ATOM 477 CD PRO A 747 23.196 -15.490 -23.294 1.00 0.00 C ATOM 0 HA PRO A 747 26.148 -15.996 -24.391 1.00 0.00 H new ATOM 0 HB2 PRO A 747 23.808 -15.062 -26.068 1.00 0.00 H new ATOM 0 HB3 PRO A 747 24.577 -16.636 -26.078 1.00 0.00 H new ATOM 0 HG2 PRO A 747 22.164 -16.333 -24.979 1.00 0.00 H new ATOM 0 HG3 PRO A 747 23.334 -17.411 -24.245 1.00 0.00 H new ATOM 0 HD2 PRO A 747 22.543 -14.623 -23.397 1.00 0.00 H new ATOM 0 HD3 PRO A 747 22.880 -16.022 -22.397 1.00 0.00 H new ATOM 485 N PRO A 748 27.018 -14.125 -25.782 1.00 0.00 N ATOM 486 CA PRO A 748 27.680 -12.962 -26.391 1.00 0.00 C ATOM 487 C PRO A 748 26.900 -12.393 -27.575 1.00 0.00 C ATOM 488 O PRO A 748 27.252 -11.347 -28.118 1.00 0.00 O ATOM 489 CB PRO A 748 29.019 -13.523 -26.865 1.00 0.00 C ATOM 490 CG PRO A 748 28.782 -14.980 -27.057 1.00 0.00 C ATOM 491 CD PRO A 748 27.759 -15.376 -26.033 1.00 0.00 C ATOM 0 HA PRO A 748 27.768 -12.136 -25.685 1.00 0.00 H new ATOM 0 HB2 PRO A 748 29.338 -13.050 -27.793 1.00 0.00 H new ATOM 0 HB3 PRO A 748 29.804 -13.345 -26.130 1.00 0.00 H new ATOM 0 HG2 PRO A 748 28.424 -15.187 -28.065 1.00 0.00 H new ATOM 0 HG3 PRO A 748 29.705 -15.545 -26.925 1.00 0.00 H new ATOM 0 HD2 PRO A 748 27.103 -16.163 -26.405 1.00 0.00 H new ATOM 0 HD3 PRO A 748 28.227 -15.754 -25.124 1.00 0.00 H new ATOM 499 N SER A 749 25.850 -13.099 -27.975 1.00 0.00 N ATOM 500 CA SER A 749 25.000 -12.676 -29.074 1.00 0.00 C ATOM 501 C SER A 749 24.152 -11.464 -28.688 1.00 0.00 C ATOM 502 O SER A 749 23.608 -10.779 -29.556 1.00 0.00 O ATOM 503 CB SER A 749 24.114 -13.843 -29.505 1.00 0.00 C ATOM 504 OG SER A 749 24.907 -14.973 -29.826 1.00 0.00 O ATOM 0 H SER A 749 25.566 -13.980 -27.545 1.00 0.00 H new ATOM 0 HA SER A 749 25.632 -12.374 -29.910 1.00 0.00 H new ATOM 0 HB2 SER A 749 23.418 -14.095 -28.705 1.00 0.00 H new ATOM 0 HB3 SER A 749 23.515 -13.554 -30.369 1.00 0.00 H new ATOM 0 HG SER A 749 24.326 -15.714 -30.099 1.00 0.00 H new ATOM 510 N LEU A 750 24.043 -11.209 -27.386 1.00 0.00 N ATOM 511 CA LEU A 750 23.364 -10.017 -26.887 1.00 0.00 C ATOM 512 C LEU A 750 24.052 -8.764 -27.413 1.00 0.00 C ATOM 513 O LEU A 750 25.230 -8.538 -27.133 1.00 0.00 O ATOM 514 CB LEU A 750 23.386 -9.983 -25.355 1.00 0.00 C ATOM 515 CG LEU A 750 22.258 -10.732 -24.646 1.00 0.00 C ATOM 516 CD1 LEU A 750 22.336 -12.228 -24.899 1.00 0.00 C ATOM 517 CD2 LEU A 750 22.302 -10.428 -23.157 1.00 0.00 C ATOM 0 H LEU A 750 24.418 -11.815 -26.656 1.00 0.00 H new ATOM 0 HA LEU A 750 22.331 -10.048 -27.234 1.00 0.00 H new ATOM 0 HB2 LEU A 750 24.336 -10.396 -25.017 1.00 0.00 H new ATOM 0 HB3 LEU A 750 23.359 -8.941 -25.035 1.00 0.00 H new ATOM 0 HG LEU A 750 21.306 -10.389 -25.052 1.00 0.00 H new ATOM 0 HD11 LEU A 750 21.519 -12.728 -24.380 1.00 0.00 H new ATOM 0 HD12 LEU A 750 22.258 -12.421 -25.969 1.00 0.00 H new ATOM 0 HD13 LEU A 750 23.288 -12.610 -24.530 1.00 0.00 H new ATOM 0 HD21 LEU A 750 21.497 -10.963 -22.653 1.00 0.00 H new ATOM 0 HD22 LEU A 750 23.261 -10.747 -22.749 1.00 0.00 H new ATOM 0 HD23 LEU A 750 22.179 -9.356 -23.001 1.00 0.00 H new ATOM 529 N ASN A 751 23.331 -7.949 -28.168 1.00 0.00 N ATOM 530 CA ASN A 751 23.897 -6.713 -28.672 1.00 0.00 C ATOM 531 C ASN A 751 23.676 -5.609 -27.642 1.00 0.00 C ATOM 532 O ASN A 751 23.123 -5.870 -26.571 1.00 0.00 O ATOM 533 CB ASN A 751 23.287 -6.357 -30.038 1.00 0.00 C ATOM 534 CG ASN A 751 21.959 -5.625 -29.956 1.00 0.00 C ATOM 535 OD1 ASN A 751 21.996 -4.320 -30.144 1.00 0.00 O flip ATOM 536 ND2 ASN A 751 20.912 -6.227 -29.764 1.00 0.00 N flip ATOM 0 H ASN A 751 22.363 -8.121 -28.441 1.00 0.00 H new ATOM 0 HA ASN A 751 24.970 -6.831 -28.827 1.00 0.00 H new ATOM 0 HB2 ASN A 751 23.996 -5.740 -30.590 1.00 0.00 H new ATOM 0 HB3 ASN A 751 23.149 -7.274 -30.611 1.00 0.00 H new ATOM 0 HD21 ASN A 751 20.923 -7.237 -29.623 1.00 0.00 H new ATOM 0 HD22 ASN A 751 20.028 -5.719 -29.745 1.00 0.00 H new ATOM 543 N SER A 752 24.109 -4.392 -27.948 1.00 0.00 N ATOM 544 CA SER A 752 24.015 -3.275 -27.009 1.00 0.00 C ATOM 545 C SER A 752 22.590 -3.084 -26.476 1.00 0.00 C ATOM 546 O SER A 752 22.400 -2.671 -25.332 1.00 0.00 O ATOM 547 CB SER A 752 24.505 -1.994 -27.683 1.00 0.00 C ATOM 548 OG SER A 752 25.803 -2.180 -28.217 1.00 0.00 O ATOM 0 H SER A 752 24.532 -4.150 -28.844 1.00 0.00 H new ATOM 0 HA SER A 752 24.649 -3.507 -26.153 1.00 0.00 H new ATOM 0 HB2 SER A 752 23.816 -1.708 -28.478 1.00 0.00 H new ATOM 0 HB3 SER A 752 24.516 -1.177 -26.961 1.00 0.00 H new ATOM 0 HG SER A 752 26.102 -1.351 -28.647 1.00 0.00 H new ATOM 554 N HIS A 753 21.593 -3.409 -27.293 1.00 0.00 N ATOM 555 CA HIS A 753 20.199 -3.249 -26.890 1.00 0.00 C ATOM 556 C HIS A 753 19.752 -4.396 -25.990 1.00 0.00 C ATOM 557 O HIS A 753 18.997 -4.186 -25.039 1.00 0.00 O ATOM 558 CB HIS A 753 19.282 -3.157 -28.114 1.00 0.00 C ATOM 559 CG HIS A 753 19.530 -1.949 -28.965 1.00 0.00 C ATOM 560 ND1 HIS A 753 20.164 -0.784 -28.673 1.00 0.00 N flip ATOM 561 CD2 HIS A 753 19.112 -1.834 -30.271 1.00 0.00 C flip ATOM 562 CE1 HIS A 753 20.141 0.043 -29.792 1.00 0.00 C flip ATOM 563 NE2 HIS A 753 19.498 -0.636 -30.725 1.00 0.00 N flip ATOM 0 H HIS A 753 21.722 -3.783 -28.233 1.00 0.00 H new ATOM 0 HA HIS A 753 20.126 -2.318 -26.327 1.00 0.00 H new ATOM 0 HB2 HIS A 753 19.413 -4.052 -28.723 1.00 0.00 H new ATOM 0 HB3 HIS A 753 18.245 -3.148 -27.780 1.00 0.00 H new ATOM 0 HD2 HIS A 753 18.568 -2.580 -30.831 1.00 0.00 H new ATOM 0 HE1 HIS A 753 20.561 1.034 -29.879 1.00 0.00 H new ATOM 0 HE2 HIS A 753 19.319 -0.292 -31.668 1.00 0.00 H new ATOM 571 N ASP A 754 20.221 -5.605 -26.287 1.00 0.00 N ATOM 572 CA ASP A 754 19.897 -6.768 -25.464 1.00 0.00 C ATOM 573 C ASP A 754 20.527 -6.617 -24.092 1.00 0.00 C ATOM 574 O ASP A 754 19.897 -6.879 -23.069 1.00 0.00 O ATOM 575 CB ASP A 754 20.404 -8.066 -26.094 1.00 0.00 C ATOM 576 CG ASP A 754 19.818 -8.350 -27.456 1.00 0.00 C ATOM 577 OD1 ASP A 754 18.577 -8.317 -27.601 1.00 0.00 O ATOM 578 OD2 ASP A 754 20.598 -8.605 -28.394 1.00 0.00 O ATOM 0 H ASP A 754 20.823 -5.805 -27.086 1.00 0.00 H new ATOM 0 HA ASP A 754 18.811 -6.820 -25.384 1.00 0.00 H new ATOM 0 HB2 ASP A 754 21.490 -8.018 -26.178 1.00 0.00 H new ATOM 0 HB3 ASP A 754 20.172 -8.897 -25.428 1.00 0.00 H new ATOM 583 N ARG A 755 21.785 -6.192 -24.085 1.00 0.00 N ATOM 584 CA ARG A 755 22.500 -5.945 -22.846 1.00 0.00 C ATOM 585 C ARG A 755 21.793 -4.867 -22.038 1.00 0.00 C ATOM 586 O ARG A 755 21.504 -5.063 -20.864 1.00 0.00 O ATOM 587 CB ARG A 755 23.938 -5.525 -23.133 1.00 0.00 C ATOM 588 CG ARG A 755 24.761 -6.583 -23.849 1.00 0.00 C ATOM 589 CD ARG A 755 26.153 -6.064 -24.150 1.00 0.00 C ATOM 590 NE ARG A 755 26.958 -7.021 -24.909 1.00 0.00 N ATOM 591 CZ ARG A 755 27.770 -6.685 -25.916 1.00 0.00 C ATOM 592 NH1 ARG A 755 27.851 -5.420 -26.322 1.00 0.00 N ATOM 593 NH2 ARG A 755 28.499 -7.620 -26.517 1.00 0.00 N ATOM 0 H ARG A 755 22.330 -6.012 -24.928 1.00 0.00 H new ATOM 0 HA ARG A 755 22.516 -6.868 -22.267 1.00 0.00 H new ATOM 0 HB2 ARG A 755 23.927 -4.618 -23.737 1.00 0.00 H new ATOM 0 HB3 ARG A 755 24.427 -5.275 -22.192 1.00 0.00 H new ATOM 0 HG2 ARG A 755 24.827 -7.479 -23.232 1.00 0.00 H new ATOM 0 HG3 ARG A 755 24.266 -6.870 -24.777 1.00 0.00 H new ATOM 0 HD2 ARG A 755 26.076 -5.133 -24.712 1.00 0.00 H new ATOM 0 HD3 ARG A 755 26.660 -5.830 -23.214 1.00 0.00 H new ATOM 0 HE ARG A 755 26.896 -8.007 -24.654 1.00 0.00 H new ATOM 0 HH11 ARG A 755 27.291 -4.701 -25.864 1.00 0.00 H new ATOM 0 HH12 ARG A 755 28.473 -5.170 -27.091 1.00 0.00 H new ATOM 0 HH21 ARG A 755 28.438 -8.591 -26.209 1.00 0.00 H new ATOM 0 HH22 ARG A 755 29.120 -7.367 -27.286 1.00 0.00 H new ATOM 607 N LEU A 756 21.490 -3.741 -22.689 1.00 0.00 N ATOM 608 CA LEU A 756 20.802 -2.624 -22.036 1.00 0.00 C ATOM 609 C LEU A 756 19.500 -3.094 -21.393 1.00 0.00 C ATOM 610 O LEU A 756 19.142 -2.658 -20.299 1.00 0.00 O ATOM 611 CB LEU A 756 20.511 -1.517 -23.055 1.00 0.00 C ATOM 612 CG LEU A 756 19.847 -0.258 -22.491 1.00 0.00 C ATOM 613 CD1 LEU A 756 20.737 0.396 -21.445 1.00 0.00 C ATOM 614 CD2 LEU A 756 19.532 0.723 -23.611 1.00 0.00 C ATOM 0 H LEU A 756 21.711 -3.578 -23.671 1.00 0.00 H new ATOM 0 HA LEU A 756 21.452 -2.230 -21.255 1.00 0.00 H new ATOM 0 HB2 LEU A 756 21.449 -1.230 -23.531 1.00 0.00 H new ATOM 0 HB3 LEU A 756 19.870 -1.926 -23.836 1.00 0.00 H new ATOM 0 HG LEU A 756 18.912 -0.548 -22.011 1.00 0.00 H new ATOM 0 HD11 LEU A 756 20.247 1.289 -21.057 1.00 0.00 H new ATOM 0 HD12 LEU A 756 20.914 -0.304 -20.629 1.00 0.00 H new ATOM 0 HD13 LEU A 756 21.689 0.673 -21.899 1.00 0.00 H new ATOM 0 HD21 LEU A 756 19.060 1.613 -23.194 1.00 0.00 H new ATOM 0 HD22 LEU A 756 20.455 1.005 -24.118 1.00 0.00 H new ATOM 0 HD23 LEU A 756 18.855 0.255 -24.325 1.00 0.00 H new ATOM 626 N ARG A 757 18.803 -3.979 -22.094 1.00 0.00 N ATOM 627 CA ARG A 757 17.591 -4.605 -21.584 1.00 0.00 C ATOM 628 C ARG A 757 17.875 -5.297 -20.252 1.00 0.00 C ATOM 629 O ARG A 757 17.187 -5.061 -19.258 1.00 0.00 O ATOM 630 CB ARG A 757 17.088 -5.625 -22.606 1.00 0.00 C ATOM 631 CG ARG A 757 15.746 -6.252 -22.270 1.00 0.00 C ATOM 632 CD ARG A 757 14.589 -5.308 -22.550 1.00 0.00 C ATOM 633 NE ARG A 757 13.414 -6.043 -23.012 1.00 0.00 N ATOM 634 CZ ARG A 757 12.560 -5.593 -23.929 1.00 0.00 C ATOM 635 NH1 ARG A 757 12.676 -4.359 -24.412 1.00 0.00 N ATOM 636 NH2 ARG A 757 11.586 -6.386 -24.353 1.00 0.00 N ATOM 0 H ARG A 757 19.062 -4.283 -23.032 1.00 0.00 H new ATOM 0 HA ARG A 757 16.829 -3.842 -21.422 1.00 0.00 H new ATOM 0 HB2 ARG A 757 17.013 -5.138 -23.578 1.00 0.00 H new ATOM 0 HB3 ARG A 757 17.830 -6.418 -22.703 1.00 0.00 H new ATOM 0 HG2 ARG A 757 15.617 -7.165 -22.851 1.00 0.00 H new ATOM 0 HG3 ARG A 757 15.733 -6.539 -21.218 1.00 0.00 H new ATOM 0 HD2 ARG A 757 14.342 -4.751 -21.646 1.00 0.00 H new ATOM 0 HD3 ARG A 757 14.885 -4.578 -23.303 1.00 0.00 H new ATOM 0 HE ARG A 757 13.236 -6.961 -22.605 1.00 0.00 H new ATOM 0 HH11 ARG A 757 13.424 -3.750 -24.080 1.00 0.00 H new ATOM 0 HH12 ARG A 757 12.017 -4.022 -25.114 1.00 0.00 H new ATOM 0 HH21 ARG A 757 11.497 -7.330 -23.977 1.00 0.00 H new ATOM 0 HH22 ARG A 757 10.926 -6.052 -25.055 1.00 0.00 H new ATOM 650 N VAL A 758 18.907 -6.136 -20.244 1.00 0.00 N ATOM 651 CA VAL A 758 19.309 -6.860 -19.042 1.00 0.00 C ATOM 652 C VAL A 758 19.714 -5.893 -17.931 1.00 0.00 C ATOM 653 O VAL A 758 19.243 -6.018 -16.800 1.00 0.00 O ATOM 654 CB VAL A 758 20.485 -7.821 -19.326 1.00 0.00 C ATOM 655 CG1 VAL A 758 20.936 -8.522 -18.051 1.00 0.00 C ATOM 656 CG2 VAL A 758 20.102 -8.844 -20.380 1.00 0.00 C ATOM 0 H VAL A 758 19.483 -6.332 -21.062 1.00 0.00 H new ATOM 0 HA VAL A 758 18.446 -7.443 -18.720 1.00 0.00 H new ATOM 0 HB VAL A 758 21.317 -7.227 -19.705 1.00 0.00 H new ATOM 0 HG11 VAL A 758 21.765 -9.193 -18.278 1.00 0.00 H new ATOM 0 HG12 VAL A 758 21.260 -7.779 -17.322 1.00 0.00 H new ATOM 0 HG13 VAL A 758 20.107 -9.097 -17.639 1.00 0.00 H new ATOM 0 HG21 VAL A 758 20.945 -9.510 -20.564 1.00 0.00 H new ATOM 0 HG22 VAL A 758 19.250 -9.426 -20.029 1.00 0.00 H new ATOM 0 HG23 VAL A 758 19.836 -8.332 -21.305 1.00 0.00 H new ATOM 666 N HIS A 759 20.575 -4.931 -18.266 1.00 0.00 N ATOM 667 CA HIS A 759 21.067 -3.956 -17.292 1.00 0.00 C ATOM 668 C HIS A 759 19.909 -3.267 -16.583 1.00 0.00 C ATOM 669 O HIS A 759 19.811 -3.313 -15.358 1.00 0.00 O ATOM 670 CB HIS A 759 21.966 -2.902 -17.956 1.00 0.00 C ATOM 671 CG HIS A 759 23.315 -3.411 -18.384 1.00 0.00 C ATOM 672 ND1 HIS A 759 24.319 -3.631 -17.478 1.00 0.00 N ATOM 673 CD2 HIS A 759 23.777 -3.697 -19.622 1.00 0.00 C ATOM 674 CE1 HIS A 759 25.358 -4.043 -18.173 1.00 0.00 C ATOM 675 NE2 HIS A 759 25.083 -4.097 -19.484 1.00 0.00 N ATOM 0 H HIS A 759 20.947 -4.806 -19.208 1.00 0.00 H new ATOM 0 HA HIS A 759 21.660 -4.503 -16.559 1.00 0.00 H new ATOM 0 HB2 HIS A 759 21.450 -2.501 -18.828 1.00 0.00 H new ATOM 0 HB3 HIS A 759 22.108 -2.074 -17.261 1.00 0.00 H new ATOM 0 HD1 HIS A 759 24.271 -3.501 -16.467 1.00 0.00 H new ATOM 0 HD2 HIS A 759 23.223 -3.624 -20.546 1.00 0.00 H new ATOM 0 HE1 HIS A 759 26.313 -4.305 -17.741 1.00 0.00 H new ATOM 683 N GLN A 760 19.018 -2.653 -17.357 1.00 0.00 N ATOM 684 CA GLN A 760 17.871 -1.940 -16.802 1.00 0.00 C ATOM 685 C GLN A 760 17.020 -2.835 -15.900 1.00 0.00 C ATOM 686 O GLN A 760 16.632 -2.428 -14.805 1.00 0.00 O ATOM 687 CB GLN A 760 17.009 -1.365 -17.925 1.00 0.00 C ATOM 688 CG GLN A 760 17.652 -0.193 -18.647 1.00 0.00 C ATOM 689 CD GLN A 760 16.772 0.379 -19.742 1.00 0.00 C ATOM 690 OE1 GLN A 760 17.395 0.957 -20.754 1.00 0.00 O flip ATOM 691 NE2 GLN A 760 15.545 0.321 -19.671 1.00 0.00 N flip ATOM 0 H GLN A 760 19.069 -2.635 -18.376 1.00 0.00 H new ATOM 0 HA GLN A 760 18.262 -1.127 -16.190 1.00 0.00 H new ATOM 0 HB2 GLN A 760 16.795 -2.153 -18.647 1.00 0.00 H new ATOM 0 HB3 GLN A 760 16.053 -1.045 -17.510 1.00 0.00 H new ATOM 0 HG2 GLN A 760 17.881 0.591 -17.925 1.00 0.00 H new ATOM 0 HG3 GLN A 760 18.599 -0.515 -19.080 1.00 0.00 H new ATOM 0 HE21 GLN A 760 15.101 -0.134 -18.873 1.00 0.00 H new ATOM 0 HE22 GLN A 760 14.972 0.728 -20.410 1.00 0.00 H new ATOM 700 N ILE A 761 16.743 -4.052 -16.355 1.00 0.00 N ATOM 701 CA ILE A 761 15.909 -4.976 -15.590 1.00 0.00 C ATOM 702 C ILE A 761 16.604 -5.402 -14.298 1.00 0.00 C ATOM 703 O ILE A 761 16.016 -5.335 -13.220 1.00 0.00 O ATOM 704 CB ILE A 761 15.528 -6.223 -16.416 1.00 0.00 C ATOM 705 CG1 ILE A 761 14.672 -5.810 -17.612 1.00 0.00 C ATOM 706 CG2 ILE A 761 14.782 -7.233 -15.552 1.00 0.00 C ATOM 707 CD1 ILE A 761 14.401 -6.937 -18.588 1.00 0.00 C ATOM 0 H ILE A 761 17.081 -4.421 -17.244 1.00 0.00 H new ATOM 0 HA ILE A 761 14.993 -4.442 -15.339 1.00 0.00 H new ATOM 0 HB ILE A 761 16.441 -6.695 -16.779 1.00 0.00 H new ATOM 0 HG12 ILE A 761 13.721 -5.420 -17.249 1.00 0.00 H new ATOM 0 HG13 ILE A 761 15.170 -4.997 -18.140 1.00 0.00 H new ATOM 0 HG21 ILE A 761 14.522 -8.105 -16.153 1.00 0.00 H new ATOM 0 HG22 ILE A 761 15.417 -7.541 -14.722 1.00 0.00 H new ATOM 0 HG23 ILE A 761 13.872 -6.777 -15.163 1.00 0.00 H new ATOM 0 HD11 ILE A 761 13.788 -6.567 -19.410 1.00 0.00 H new ATOM 0 HD12 ILE A 761 15.346 -7.313 -18.981 1.00 0.00 H new ATOM 0 HD13 ILE A 761 13.874 -7.743 -18.076 1.00 0.00 H new ATOM 719 N ALA A 762 17.865 -5.808 -14.403 1.00 0.00 N ATOM 720 CA ALA A 762 18.622 -6.258 -13.239 1.00 0.00 C ATOM 721 C ALA A 762 18.838 -5.109 -12.260 1.00 0.00 C ATOM 722 O ALA A 762 18.883 -5.312 -11.046 1.00 0.00 O ATOM 723 CB ALA A 762 19.955 -6.849 -13.668 1.00 0.00 C ATOM 0 H ALA A 762 18.384 -5.835 -15.281 1.00 0.00 H new ATOM 0 HA ALA A 762 18.046 -7.034 -12.735 1.00 0.00 H new ATOM 0 HB1 ALA A 762 20.507 -7.179 -12.788 1.00 0.00 H new ATOM 0 HB2 ALA A 762 19.781 -7.699 -14.327 1.00 0.00 H new ATOM 0 HB3 ALA A 762 20.535 -6.093 -14.197 1.00 0.00 H new ATOM 729 N GLU A 763 18.955 -3.906 -12.804 1.00 0.00 N ATOM 730 CA GLU A 763 19.134 -2.706 -12.002 1.00 0.00 C ATOM 731 C GLU A 763 17.856 -2.385 -11.236 1.00 0.00 C ATOM 732 O GLU A 763 17.899 -1.884 -10.111 1.00 0.00 O ATOM 733 CB GLU A 763 19.529 -1.544 -12.916 1.00 0.00 C ATOM 734 CG GLU A 763 20.092 -0.337 -12.195 1.00 0.00 C ATOM 735 CD GLU A 763 20.823 0.592 -13.141 1.00 0.00 C ATOM 736 OE1 GLU A 763 20.154 1.336 -13.894 1.00 0.00 O ATOM 737 OE2 GLU A 763 22.075 0.579 -13.145 1.00 0.00 O ATOM 0 H GLU A 763 18.929 -3.735 -13.809 1.00 0.00 H new ATOM 0 HA GLU A 763 19.928 -2.869 -11.273 1.00 0.00 H new ATOM 0 HB2 GLU A 763 20.268 -1.899 -13.634 1.00 0.00 H new ATOM 0 HB3 GLU A 763 18.653 -1.234 -13.487 1.00 0.00 H new ATOM 0 HG2 GLU A 763 19.282 0.205 -11.707 1.00 0.00 H new ATOM 0 HG3 GLU A 763 20.773 -0.667 -11.411 1.00 0.00 H new ATOM 744 N GLU A 764 16.720 -2.693 -11.847 1.00 0.00 N ATOM 745 CA GLU A 764 15.429 -2.507 -11.203 1.00 0.00 C ATOM 746 C GLU A 764 15.223 -3.572 -10.127 1.00 0.00 C ATOM 747 O GLU A 764 14.638 -3.308 -9.078 1.00 0.00 O ATOM 748 CB GLU A 764 14.304 -2.567 -12.240 1.00 0.00 C ATOM 749 CG GLU A 764 12.953 -2.117 -11.708 1.00 0.00 C ATOM 750 CD GLU A 764 12.982 -0.694 -11.194 1.00 0.00 C ATOM 751 OE1 GLU A 764 12.991 0.241 -12.019 1.00 0.00 O ATOM 752 OE2 GLU A 764 13.006 -0.504 -9.961 1.00 0.00 O ATOM 0 H GLU A 764 16.668 -3.074 -12.792 1.00 0.00 H new ATOM 0 HA GLU A 764 15.409 -1.525 -10.731 1.00 0.00 H new ATOM 0 HB2 GLU A 764 14.574 -1.943 -13.092 1.00 0.00 H new ATOM 0 HB3 GLU A 764 14.217 -3.589 -12.608 1.00 0.00 H new ATOM 0 HG2 GLU A 764 12.208 -2.200 -12.499 1.00 0.00 H new ATOM 0 HG3 GLU A 764 12.641 -2.785 -10.905 1.00 0.00 H new ATOM 759 N HIS A 765 15.714 -4.778 -10.396 1.00 0.00 N ATOM 760 CA HIS A 765 15.669 -5.864 -9.420 1.00 0.00 C ATOM 761 C HIS A 765 16.572 -5.557 -8.231 1.00 0.00 C ATOM 762 O HIS A 765 16.249 -5.885 -7.092 1.00 0.00 O ATOM 763 CB HIS A 765 16.090 -7.189 -10.060 1.00 0.00 C ATOM 764 CG HIS A 765 15.007 -7.858 -10.855 1.00 0.00 C ATOM 765 ND1 HIS A 765 14.614 -9.163 -10.656 1.00 0.00 N ATOM 766 CD2 HIS A 765 14.239 -7.388 -11.871 1.00 0.00 C ATOM 767 CE1 HIS A 765 13.644 -9.440 -11.536 1.00 0.00 C ATOM 768 NE2 HIS A 765 13.377 -8.396 -12.297 1.00 0.00 N ATOM 0 H HIS A 765 16.149 -5.029 -11.284 1.00 0.00 H new ATOM 0 HA HIS A 765 14.641 -5.955 -9.070 1.00 0.00 H new ATOM 0 HB2 HIS A 765 16.946 -7.010 -10.711 1.00 0.00 H new ATOM 0 HB3 HIS A 765 16.423 -7.869 -9.276 1.00 0.00 H new ATOM 0 HD2 HIS A 765 14.288 -6.391 -12.283 1.00 0.00 H new ATOM 0 HE1 HIS A 765 13.145 -10.395 -11.613 1.00 0.00 H new ATOM 0 HE2 HIS A 765 12.683 -8.339 -13.043 1.00 0.00 H new ATOM 776 N GLY A 766 17.699 -4.915 -8.501 1.00 0.00 N ATOM 777 CA GLY A 766 18.636 -4.589 -7.444 1.00 0.00 C ATOM 778 C GLY A 766 19.816 -5.532 -7.417 1.00 0.00 C ATOM 779 O GLY A 766 20.524 -5.632 -6.413 1.00 0.00 O ATOM 0 H GLY A 766 17.982 -4.614 -9.433 1.00 0.00 H new ATOM 0 HA2 GLY A 766 18.992 -3.568 -7.579 1.00 0.00 H new ATOM 0 HA3 GLY A 766 18.123 -4.624 -6.483 1.00 0.00 H new ATOM 783 N LEU A 767 20.032 -6.218 -8.527 1.00 0.00 N ATOM 784 CA LEU A 767 21.126 -7.170 -8.641 1.00 0.00 C ATOM 785 C LEU A 767 22.357 -6.480 -9.214 1.00 0.00 C ATOM 786 O LEU A 767 22.317 -5.289 -9.527 1.00 0.00 O ATOM 787 CB LEU A 767 20.724 -8.338 -9.548 1.00 0.00 C ATOM 788 CG LEU A 767 19.441 -9.072 -9.150 1.00 0.00 C ATOM 789 CD1 LEU A 767 19.127 -10.170 -10.157 1.00 0.00 C ATOM 790 CD2 LEU A 767 19.561 -9.653 -7.747 1.00 0.00 C ATOM 0 H LEU A 767 19.460 -6.133 -9.367 1.00 0.00 H new ATOM 0 HA LEU A 767 21.356 -7.555 -7.648 1.00 0.00 H new ATOM 0 HB2 LEU A 767 20.606 -7.962 -10.564 1.00 0.00 H new ATOM 0 HB3 LEU A 767 21.542 -9.058 -9.568 1.00 0.00 H new ATOM 0 HG LEU A 767 18.621 -8.353 -9.150 1.00 0.00 H new ATOM 0 HD11 LEU A 767 18.212 -10.684 -9.862 1.00 0.00 H new ATOM 0 HD12 LEU A 767 18.993 -9.730 -11.145 1.00 0.00 H new ATOM 0 HD13 LEU A 767 19.951 -10.883 -10.186 1.00 0.00 H new ATOM 0 HD21 LEU A 767 18.637 -10.170 -7.487 1.00 0.00 H new ATOM 0 HD22 LEU A 767 20.392 -10.358 -7.715 1.00 0.00 H new ATOM 0 HD23 LEU A 767 19.740 -8.848 -7.034 1.00 0.00 H new ATOM 802 N ARG A 768 23.449 -7.220 -9.347 1.00 0.00 N ATOM 803 CA ARG A 768 24.639 -6.691 -9.992 1.00 0.00 C ATOM 804 C ARG A 768 24.662 -7.114 -11.450 1.00 0.00 C ATOM 805 O ARG A 768 24.314 -8.247 -11.779 1.00 0.00 O ATOM 806 CB ARG A 768 25.919 -7.170 -9.303 1.00 0.00 C ATOM 807 CG ARG A 768 27.167 -6.782 -10.080 1.00 0.00 C ATOM 808 CD ARG A 768 28.441 -7.337 -9.472 1.00 0.00 C ATOM 809 NE ARG A 768 29.577 -7.115 -10.362 1.00 0.00 N ATOM 810 CZ ARG A 768 30.702 -6.494 -10.017 1.00 0.00 C ATOM 811 NH1 ARG A 768 30.875 -6.032 -8.784 1.00 0.00 N ATOM 812 NH2 ARG A 768 31.659 -6.332 -10.916 1.00 0.00 N ATOM 0 H ARG A 768 23.534 -8.182 -9.019 1.00 0.00 H new ATOM 0 HA ARG A 768 24.602 -5.604 -9.917 1.00 0.00 H new ATOM 0 HB2 ARG A 768 25.971 -6.746 -8.300 1.00 0.00 H new ATOM 0 HB3 ARG A 768 25.885 -8.254 -9.190 1.00 0.00 H new ATOM 0 HG2 ARG A 768 27.075 -7.139 -11.106 1.00 0.00 H new ATOM 0 HG3 ARG A 768 27.236 -5.695 -10.126 1.00 0.00 H new ATOM 0 HD2 ARG A 768 28.628 -6.861 -8.510 1.00 0.00 H new ATOM 0 HD3 ARG A 768 28.324 -8.404 -9.282 1.00 0.00 H new ATOM 0 HE ARG A 768 29.503 -7.461 -11.318 1.00 0.00 H new ATOM 0 HH11 ARG A 768 30.140 -6.151 -8.087 1.00 0.00 H new ATOM 0 HH12 ARG A 768 31.743 -5.558 -8.534 1.00 0.00 H new ATOM 0 HH21 ARG A 768 31.531 -6.682 -11.866 1.00 0.00 H new ATOM 0 HH22 ARG A 768 32.524 -5.857 -10.660 1.00 0.00 H new ATOM 826 N HIS A 769 25.073 -6.204 -12.311 1.00 0.00 N ATOM 827 CA HIS A 769 25.136 -6.469 -13.735 1.00 0.00 C ATOM 828 C HIS A 769 26.316 -5.737 -14.354 1.00 0.00 C ATOM 829 O HIS A 769 26.448 -4.522 -14.223 1.00 0.00 O ATOM 830 CB HIS A 769 23.825 -6.061 -14.417 1.00 0.00 C ATOM 831 CG HIS A 769 23.296 -4.723 -13.982 1.00 0.00 C ATOM 832 ND1 HIS A 769 23.417 -3.612 -14.773 1.00 0.00 N ATOM 833 CD2 HIS A 769 22.652 -4.380 -12.841 1.00 0.00 C ATOM 834 CE1 HIS A 769 22.851 -2.625 -14.112 1.00 0.00 C ATOM 835 NE2 HIS A 769 22.375 -3.041 -12.933 1.00 0.00 N ATOM 0 H HIS A 769 25.371 -5.265 -12.046 1.00 0.00 H new ATOM 0 HA HIS A 769 25.277 -7.539 -13.885 1.00 0.00 H new ATOM 0 HB2 HIS A 769 23.979 -6.045 -15.496 1.00 0.00 H new ATOM 0 HB3 HIS A 769 23.071 -6.821 -14.214 1.00 0.00 H new ATOM 0 HD2 HIS A 769 22.405 -5.035 -12.018 1.00 0.00 H new ATOM 0 HE1 HIS A 769 22.780 -1.610 -14.474 1.00 0.00 H new ATOM 0 HE2 HIS A 769 21.897 -2.470 -12.236 1.00 0.00 H new ATOM 843 N ASP A 770 27.182 -6.491 -14.999 1.00 0.00 N ATOM 844 CA ASP A 770 28.371 -5.932 -15.627 1.00 0.00 C ATOM 845 C ASP A 770 28.774 -6.774 -16.817 1.00 0.00 C ATOM 846 O ASP A 770 28.263 -7.875 -17.007 1.00 0.00 O ATOM 847 CB ASP A 770 29.530 -5.835 -14.625 1.00 0.00 C ATOM 848 CG ASP A 770 29.946 -7.180 -14.054 1.00 0.00 C ATOM 849 OD1 ASP A 770 30.817 -7.843 -14.651 1.00 0.00 O ATOM 850 OD2 ASP A 770 29.423 -7.566 -12.985 1.00 0.00 O ATOM 0 H ASP A 770 27.087 -7.501 -15.105 1.00 0.00 H new ATOM 0 HA ASP A 770 28.136 -4.924 -15.968 1.00 0.00 H new ATOM 0 HB2 ASP A 770 30.388 -5.376 -15.116 1.00 0.00 H new ATOM 0 HB3 ASP A 770 29.240 -5.175 -13.807 1.00 0.00 H new ATOM 855 N SER A 771 29.673 -6.252 -17.628 1.00 0.00 N ATOM 856 CA SER A 771 30.094 -6.948 -18.823 1.00 0.00 C ATOM 857 C SER A 771 31.514 -7.473 -18.669 1.00 0.00 C ATOM 858 O SER A 771 32.377 -6.810 -18.092 1.00 0.00 O ATOM 859 CB SER A 771 29.996 -6.022 -20.029 1.00 0.00 C ATOM 860 OG SER A 771 28.715 -5.418 -20.103 1.00 0.00 O ATOM 0 H SER A 771 30.124 -5.349 -17.480 1.00 0.00 H new ATOM 0 HA SER A 771 29.433 -7.800 -18.979 1.00 0.00 H new ATOM 0 HB2 SER A 771 30.763 -5.250 -19.963 1.00 0.00 H new ATOM 0 HB3 SER A 771 30.189 -6.586 -20.942 1.00 0.00 H new ATOM 0 HG SER A 771 28.677 -4.827 -20.884 1.00 0.00 H new ATOM 976 N PHE A 779 30.339 -10.490 -22.983 1.00 0.00 N ATOM 977 CA PHE A 779 29.011 -10.874 -22.550 1.00 0.00 C ATOM 978 C PHE A 779 28.686 -10.200 -21.229 1.00 0.00 C ATOM 979 O PHE A 779 29.571 -9.655 -20.573 1.00 0.00 O ATOM 980 CB PHE A 779 28.901 -12.401 -22.425 1.00 0.00 C ATOM 981 CG PHE A 779 29.812 -13.012 -21.388 1.00 0.00 C ATOM 982 CD1 PHE A 779 31.135 -13.294 -21.687 1.00 0.00 C ATOM 983 CD2 PHE A 779 29.342 -13.306 -20.117 1.00 0.00 C ATOM 984 CE1 PHE A 779 31.972 -13.856 -20.742 1.00 0.00 C ATOM 985 CE2 PHE A 779 30.175 -13.870 -19.166 1.00 0.00 C ATOM 986 CZ PHE A 779 31.492 -14.145 -19.481 1.00 0.00 C ATOM 0 HA PHE A 779 28.288 -10.547 -23.298 1.00 0.00 H new ATOM 0 HB2 PHE A 779 27.870 -12.660 -22.182 1.00 0.00 H new ATOM 0 HB3 PHE A 779 29.122 -12.849 -23.394 1.00 0.00 H new ATOM 0 HD1 PHE A 779 31.517 -13.072 -22.672 1.00 0.00 H new ATOM 0 HD2 PHE A 779 28.314 -13.092 -19.866 1.00 0.00 H new ATOM 0 HE1 PHE A 779 33.001 -14.069 -20.990 1.00 0.00 H new ATOM 0 HE2 PHE A 779 29.796 -14.095 -18.180 1.00 0.00 H new ATOM 0 HZ PHE A 779 32.144 -14.585 -18.742 1.00 0.00 H new ATOM 996 N ILE A 780 27.425 -10.234 -20.846 1.00 0.00 N ATOM 997 CA ILE A 780 27.001 -9.612 -19.606 1.00 0.00 C ATOM 998 C ILE A 780 26.793 -10.667 -18.523 1.00 0.00 C ATOM 999 O ILE A 780 26.181 -11.712 -18.759 1.00 0.00 O ATOM 1000 CB ILE A 780 25.716 -8.769 -19.803 1.00 0.00 C ATOM 1001 CG1 ILE A 780 25.278 -8.126 -18.483 1.00 0.00 C ATOM 1002 CG2 ILE A 780 24.596 -9.615 -20.391 1.00 0.00 C ATOM 1003 CD1 ILE A 780 24.065 -7.233 -18.623 1.00 0.00 C ATOM 0 H ILE A 780 26.677 -10.684 -21.374 1.00 0.00 H new ATOM 0 HA ILE A 780 27.793 -8.935 -19.286 1.00 0.00 H new ATOM 0 HB ILE A 780 25.942 -7.971 -20.510 1.00 0.00 H new ATOM 0 HG12 ILE A 780 25.060 -8.912 -17.760 1.00 0.00 H new ATOM 0 HG13 ILE A 780 26.105 -7.542 -18.080 1.00 0.00 H new ATOM 0 HG21 ILE A 780 23.705 -9.000 -20.520 1.00 0.00 H new ATOM 0 HG22 ILE A 780 24.907 -10.010 -21.358 1.00 0.00 H new ATOM 0 HG23 ILE A 780 24.372 -10.442 -19.717 1.00 0.00 H new ATOM 0 HD11 ILE A 780 23.810 -6.811 -17.651 1.00 0.00 H new ATOM 0 HD12 ILE A 780 24.286 -6.426 -19.322 1.00 0.00 H new ATOM 0 HD13 ILE A 780 23.224 -7.817 -18.997 1.00 0.00 H new ATOM 1015 N THR A 781 27.340 -10.405 -17.351 1.00 0.00 N ATOM 1016 CA THR A 781 27.220 -11.311 -16.231 1.00 0.00 C ATOM 1017 C THR A 781 26.387 -10.669 -15.126 1.00 0.00 C ATOM 1018 O THR A 781 26.743 -9.612 -14.604 1.00 0.00 O ATOM 1019 CB THR A 781 28.606 -11.686 -15.671 1.00 0.00 C ATOM 1020 OG1 THR A 781 29.501 -11.976 -16.753 1.00 0.00 O ATOM 1021 CG2 THR A 781 28.509 -12.899 -14.755 1.00 0.00 C ATOM 0 H THR A 781 27.877 -9.561 -17.152 1.00 0.00 H new ATOM 0 HA THR A 781 26.728 -12.218 -16.584 1.00 0.00 H new ATOM 0 HB THR A 781 28.984 -10.842 -15.094 1.00 0.00 H new ATOM 0 HG1 THR A 781 29.023 -12.474 -17.449 1.00 0.00 H new ATOM 0 HG21 THR A 781 29.499 -13.145 -14.372 1.00 0.00 H new ATOM 0 HG22 THR A 781 27.843 -12.674 -13.922 1.00 0.00 H new ATOM 0 HG23 THR A 781 28.115 -13.747 -15.315 1.00 0.00 H new ATOM 1029 N VAL A 782 25.268 -11.292 -14.800 1.00 0.00 N ATOM 1030 CA VAL A 782 24.413 -10.810 -13.729 1.00 0.00 C ATOM 1031 C VAL A 782 24.693 -11.600 -12.460 1.00 0.00 C ATOM 1032 O VAL A 782 24.734 -12.824 -12.489 1.00 0.00 O ATOM 1033 CB VAL A 782 22.920 -10.933 -14.100 1.00 0.00 C ATOM 1034 CG1 VAL A 782 22.033 -10.373 -13.000 1.00 0.00 C ATOM 1035 CG2 VAL A 782 22.646 -10.218 -15.409 1.00 0.00 C ATOM 0 H VAL A 782 24.929 -12.135 -15.263 1.00 0.00 H new ATOM 0 HA VAL A 782 24.634 -9.755 -13.567 1.00 0.00 H new ATOM 0 HB VAL A 782 22.686 -11.991 -14.216 1.00 0.00 H new ATOM 0 HG11 VAL A 782 20.987 -10.473 -13.290 1.00 0.00 H new ATOM 0 HG12 VAL A 782 22.208 -10.924 -12.076 1.00 0.00 H new ATOM 0 HG13 VAL A 782 22.267 -9.320 -12.845 1.00 0.00 H new ATOM 0 HG21 VAL A 782 21.590 -10.312 -15.661 1.00 0.00 H new ATOM 0 HG22 VAL A 782 22.903 -9.164 -15.308 1.00 0.00 H new ATOM 0 HG23 VAL A 782 23.248 -10.664 -16.200 1.00 0.00 H new ATOM 1045 N SER A 783 24.907 -10.905 -11.362 1.00 0.00 N ATOM 1046 CA SER A 783 25.228 -11.563 -10.111 1.00 0.00 C ATOM 1047 C SER A 783 24.213 -11.187 -9.043 1.00 0.00 C ATOM 1048 O SER A 783 23.746 -10.044 -8.981 1.00 0.00 O ATOM 1049 CB SER A 783 26.647 -11.190 -9.668 1.00 0.00 C ATOM 1050 OG SER A 783 27.109 -12.051 -8.641 1.00 0.00 O ATOM 0 H SER A 783 24.865 -9.887 -11.309 1.00 0.00 H new ATOM 0 HA SER A 783 25.186 -12.642 -10.258 1.00 0.00 H new ATOM 0 HB2 SER A 783 27.323 -11.243 -10.522 1.00 0.00 H new ATOM 0 HB3 SER A 783 26.661 -10.159 -9.315 1.00 0.00 H new ATOM 0 HG SER A 783 26.664 -12.921 -8.719 1.00 0.00 H new ATOM 1056 N LYS A 784 23.871 -12.157 -8.210 1.00 0.00 N ATOM 1057 CA LYS A 784 22.891 -11.953 -7.158 1.00 0.00 C ATOM 1058 C LYS A 784 23.509 -11.226 -5.983 1.00 0.00 C ATOM 1059 O LYS A 784 24.666 -11.451 -5.634 1.00 0.00 O ATOM 1060 CB LYS A 784 22.316 -13.285 -6.690 1.00 0.00 C ATOM 1061 CG LYS A 784 21.471 -13.982 -7.744 1.00 0.00 C ATOM 1062 CD LYS A 784 20.960 -15.348 -7.292 1.00 0.00 C ATOM 1063 CE LYS A 784 19.892 -15.249 -6.213 1.00 0.00 C ATOM 1064 NZ LYS A 784 20.468 -15.217 -4.843 1.00 0.00 N ATOM 0 H LYS A 784 24.261 -13.099 -8.244 1.00 0.00 H new ATOM 0 HA LYS A 784 22.085 -11.344 -7.568 1.00 0.00 H new ATOM 0 HB2 LYS A 784 23.134 -13.943 -6.398 1.00 0.00 H new ATOM 0 HB3 LYS A 784 21.709 -13.118 -5.801 1.00 0.00 H new ATOM 0 HG2 LYS A 784 20.621 -13.348 -7.998 1.00 0.00 H new ATOM 0 HG3 LYS A 784 22.061 -14.103 -8.653 1.00 0.00 H new ATOM 0 HD2 LYS A 784 20.554 -15.882 -8.151 1.00 0.00 H new ATOM 0 HD3 LYS A 784 21.796 -15.938 -6.916 1.00 0.00 H new ATOM 0 HE2 LYS A 784 19.299 -14.349 -6.375 1.00 0.00 H new ATOM 0 HE3 LYS A 784 19.214 -16.098 -6.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 784 20.137 -16.045 -4.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 784 21.506 -15.236 -4.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 784 20.164 -14.348 -4.359 1.00 0.00 H new