USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=12 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= 0.681 K(o=2.1,f=-9.7!) USER MOD Set 1.2: A 769 HIS : no HD1:sc= 0.946 K(o=2.1,f=-8.5!) USER MOD Set 1.3: A 771 SER OG : rot -132:sc= 0.44 USER MOD Set 2.1: A 739 SER OG : rot -78:sc= 0.334 USER MOD Set 2.2: A 741 LYS NZ :NH3+ 171:sc= -0.0103 (180deg=-0.144) USER MOD Single : A 728 HIS : no HD1:sc= -0.141 X(o=-0.14,f=0) USER MOD Single : A 732 MET CE :methyl -157:sc= -0.115 (180deg=-0.551) USER MOD Single : A 737 MET CE :methyl 167:sc= -0.0796 (180deg=-0.486) USER MOD Single : A 740 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 742 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 743 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 749 SER OG : rot -33:sc= 0.179 USER MOD Single : A 751 ASN : amide:sc= -0.208 K(o=-0.21,f=-10!) USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 753 HIS : no HD1:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 760 GLN : amide:sc= -1.2 X(o=-1.2,f=-0.87) USER MOD Single : A 765 HIS : no HE2:sc= 1.12 K(o=1.1,f=-6.8!) USER MOD Single : A 781 THR OG1 : rot 180:sc= 0 USER MOD Single : A 783 SER OG : rot 180:sc= 0 USER MOD Single : A 784 LYS NZ :NH3+ -109:sc= 0.816 (180deg=0.0215) USER MOD ----------------------------------------------------------------- ATOM 143 N HIS A 728 12.019 -11.858 -22.656 1.00 0.00 N ATOM 144 CA HIS A 728 12.831 -13.058 -22.449 1.00 0.00 C ATOM 145 C HIS A 728 13.819 -12.886 -21.303 1.00 0.00 C ATOM 146 O HIS A 728 13.834 -13.682 -20.362 1.00 0.00 O ATOM 147 CB HIS A 728 13.585 -13.398 -23.743 1.00 0.00 C ATOM 148 CG HIS A 728 14.431 -14.632 -23.672 1.00 0.00 C ATOM 149 ND1 HIS A 728 14.002 -15.878 -24.067 1.00 0.00 N ATOM 150 CD2 HIS A 728 15.717 -14.788 -23.269 1.00 0.00 C ATOM 151 CE1 HIS A 728 15.017 -16.733 -23.896 1.00 0.00 C ATOM 152 NE2 HIS A 728 16.082 -16.123 -23.416 1.00 0.00 N ATOM 0 HA HIS A 728 12.160 -13.875 -22.183 1.00 0.00 H new ATOM 0 HB2 HIS A 728 12.860 -13.517 -24.548 1.00 0.00 H new ATOM 0 HB3 HIS A 728 14.221 -12.554 -24.009 1.00 0.00 H new ATOM 0 HD2 HIS A 728 16.356 -14.002 -22.894 1.00 0.00 H new ATOM 0 HE1 HIS A 728 14.970 -17.788 -24.122 1.00 0.00 H new ATOM 0 HE2 HIS A 728 16.986 -16.542 -23.198 1.00 0.00 H new ATOM 160 N PHE A 729 14.635 -11.845 -21.380 1.00 0.00 N ATOM 161 CA PHE A 729 15.674 -11.619 -20.387 1.00 0.00 C ATOM 162 C PHE A 729 15.073 -11.351 -19.012 1.00 0.00 C ATOM 163 O PHE A 729 15.717 -11.577 -17.992 1.00 0.00 O ATOM 164 CB PHE A 729 16.581 -10.463 -20.815 1.00 0.00 C ATOM 165 CG PHE A 729 17.351 -10.743 -22.079 1.00 0.00 C ATOM 166 CD1 PHE A 729 18.060 -11.926 -22.218 1.00 0.00 C ATOM 167 CD2 PHE A 729 17.365 -9.831 -23.125 1.00 0.00 C ATOM 168 CE1 PHE A 729 18.769 -12.195 -23.371 1.00 0.00 C ATOM 169 CE2 PHE A 729 18.076 -10.098 -24.284 1.00 0.00 C ATOM 170 CZ PHE A 729 18.777 -11.281 -24.404 1.00 0.00 C ATOM 0 H PHE A 729 14.597 -11.144 -22.120 1.00 0.00 H new ATOM 0 HA PHE A 729 16.276 -12.525 -20.317 1.00 0.00 H new ATOM 0 HB2 PHE A 729 15.974 -9.569 -20.959 1.00 0.00 H new ATOM 0 HB3 PHE A 729 17.284 -10.246 -20.011 1.00 0.00 H new ATOM 0 HD1 PHE A 729 18.058 -12.647 -21.414 1.00 0.00 H new ATOM 0 HD2 PHE A 729 16.817 -8.905 -23.035 1.00 0.00 H new ATOM 0 HE1 PHE A 729 19.317 -13.121 -23.464 1.00 0.00 H new ATOM 0 HE2 PHE A 729 18.082 -9.382 -25.092 1.00 0.00 H new ATOM 0 HZ PHE A 729 19.332 -11.491 -25.307 1.00 0.00 H new ATOM 180 N ARG A 730 13.827 -10.900 -18.991 1.00 0.00 N ATOM 181 CA ARG A 730 13.129 -10.641 -17.739 1.00 0.00 C ATOM 182 C ARG A 730 12.841 -11.957 -17.035 1.00 0.00 C ATOM 183 O ARG A 730 13.098 -12.110 -15.840 1.00 0.00 O ATOM 184 CB ARG A 730 11.811 -9.911 -18.003 1.00 0.00 C ATOM 185 CG ARG A 730 11.328 -9.091 -16.821 1.00 0.00 C ATOM 186 CD ARG A 730 9.850 -9.313 -16.529 1.00 0.00 C ATOM 187 NE ARG A 730 8.980 -8.759 -17.565 1.00 0.00 N ATOM 188 CZ ARG A 730 7.678 -8.523 -17.389 1.00 0.00 C ATOM 189 NH1 ARG A 730 7.097 -8.804 -16.230 1.00 0.00 N ATOM 190 NH2 ARG A 730 6.953 -8.004 -18.370 1.00 0.00 N ATOM 0 H ARG A 730 13.277 -10.705 -19.828 1.00 0.00 H new ATOM 0 HA ARG A 730 13.761 -10.015 -17.110 1.00 0.00 H new ATOM 0 HB2 ARG A 730 11.934 -9.255 -18.865 1.00 0.00 H new ATOM 0 HB3 ARG A 730 11.046 -10.642 -18.265 1.00 0.00 H new ATOM 0 HG2 ARG A 730 11.913 -9.350 -15.939 1.00 0.00 H new ATOM 0 HG3 ARG A 730 11.502 -8.034 -17.020 1.00 0.00 H new ATOM 0 HD2 ARG A 730 9.659 -10.382 -16.434 1.00 0.00 H new ATOM 0 HD3 ARG A 730 9.601 -8.858 -15.570 1.00 0.00 H new ATOM 0 HE ARG A 730 9.391 -8.541 -18.473 1.00 0.00 H new ATOM 0 HH11 ARG A 730 7.646 -9.202 -15.468 1.00 0.00 H new ATOM 0 HH12 ARG A 730 6.102 -8.622 -16.101 1.00 0.00 H new ATOM 0 HH21 ARG A 730 7.390 -7.783 -19.265 1.00 0.00 H new ATOM 0 HH22 ARG A 730 5.959 -7.826 -18.230 1.00 0.00 H new ATOM 204 N ALA A 731 12.312 -12.904 -17.798 1.00 0.00 N ATOM 205 CA ALA A 731 12.004 -14.228 -17.280 1.00 0.00 C ATOM 206 C ALA A 731 13.273 -14.939 -16.835 1.00 0.00 C ATOM 207 O ALA A 731 13.311 -15.568 -15.779 1.00 0.00 O ATOM 208 CB ALA A 731 11.278 -15.050 -18.334 1.00 0.00 C ATOM 0 H ALA A 731 12.086 -12.777 -18.785 1.00 0.00 H new ATOM 0 HA ALA A 731 11.352 -14.116 -16.413 1.00 0.00 H new ATOM 0 HB1 ALA A 731 11.053 -16.039 -17.933 1.00 0.00 H new ATOM 0 HB2 ALA A 731 10.349 -14.550 -18.609 1.00 0.00 H new ATOM 0 HB3 ALA A 731 11.910 -15.151 -19.216 1.00 0.00 H new ATOM 214 N MET A 732 14.315 -14.816 -17.642 1.00 0.00 N ATOM 215 CA MET A 732 15.595 -15.432 -17.341 1.00 0.00 C ATOM 216 C MET A 732 16.171 -14.906 -16.028 1.00 0.00 C ATOM 217 O MET A 732 16.758 -15.664 -15.254 1.00 0.00 O ATOM 218 CB MET A 732 16.565 -15.174 -18.489 1.00 0.00 C ATOM 219 CG MET A 732 16.092 -15.760 -19.807 1.00 0.00 C ATOM 220 SD MET A 732 16.658 -17.452 -20.070 1.00 0.00 S ATOM 221 CE MET A 732 18.412 -17.181 -20.322 1.00 0.00 C ATOM 0 H MET A 732 14.297 -14.291 -18.516 1.00 0.00 H new ATOM 0 HA MET A 732 15.444 -16.505 -17.226 1.00 0.00 H new ATOM 0 HB2 MET A 732 16.705 -14.099 -18.605 1.00 0.00 H new ATOM 0 HB3 MET A 732 17.538 -15.597 -18.238 1.00 0.00 H new ATOM 0 HG2 MET A 732 15.003 -15.738 -19.838 1.00 0.00 H new ATOM 0 HG3 MET A 732 16.446 -15.133 -20.625 1.00 0.00 H new ATOM 0 HE1 MET A 732 18.832 -18.016 -20.883 1.00 0.00 H new ATOM 0 HE2 MET A 732 18.561 -16.257 -20.881 1.00 0.00 H new ATOM 0 HE3 MET A 732 18.911 -17.105 -19.356 1.00 0.00 H new ATOM 231 N ILE A 733 15.990 -13.611 -15.779 1.00 0.00 N ATOM 232 CA ILE A 733 16.488 -12.980 -14.562 1.00 0.00 C ATOM 233 C ILE A 733 15.665 -13.387 -13.337 1.00 0.00 C ATOM 234 O ILE A 733 16.228 -13.747 -12.303 1.00 0.00 O ATOM 235 CB ILE A 733 16.510 -11.440 -14.702 1.00 0.00 C ATOM 236 CG1 ILE A 733 17.649 -11.019 -15.639 1.00 0.00 C ATOM 237 CG2 ILE A 733 16.650 -10.761 -13.342 1.00 0.00 C ATOM 238 CD1 ILE A 733 17.724 -9.527 -15.871 1.00 0.00 C ATOM 0 H ILE A 733 15.499 -12.976 -16.409 1.00 0.00 H new ATOM 0 HA ILE A 733 17.509 -13.331 -14.415 1.00 0.00 H new ATOM 0 HB ILE A 733 15.560 -11.120 -15.131 1.00 0.00 H new ATOM 0 HG12 ILE A 733 18.596 -11.361 -15.222 1.00 0.00 H new ATOM 0 HG13 ILE A 733 17.523 -11.521 -16.598 1.00 0.00 H new ATOM 0 HG21 ILE A 733 16.662 -9.679 -13.475 1.00 0.00 H new ATOM 0 HG22 ILE A 733 15.808 -11.039 -12.708 1.00 0.00 H new ATOM 0 HG23 ILE A 733 17.580 -11.079 -12.870 1.00 0.00 H new ATOM 0 HD11 ILE A 733 18.553 -9.304 -16.543 1.00 0.00 H new ATOM 0 HD12 ILE A 733 16.792 -9.181 -16.317 1.00 0.00 H new ATOM 0 HD13 ILE A 733 17.882 -9.018 -14.920 1.00 0.00 H new ATOM 250 N VAL A 734 14.341 -13.358 -13.455 1.00 0.00 N ATOM 251 CA VAL A 734 13.480 -13.661 -12.314 1.00 0.00 C ATOM 252 C VAL A 734 13.650 -15.120 -11.871 1.00 0.00 C ATOM 253 O VAL A 734 13.613 -15.419 -10.677 1.00 0.00 O ATOM 254 CB VAL A 734 11.990 -13.351 -12.612 1.00 0.00 C ATOM 255 CG1 VAL A 734 11.427 -14.280 -13.673 1.00 0.00 C ATOM 256 CG2 VAL A 734 11.155 -13.415 -11.335 1.00 0.00 C ATOM 0 H VAL A 734 13.845 -13.131 -14.317 1.00 0.00 H new ATOM 0 HA VAL A 734 13.792 -13.011 -11.496 1.00 0.00 H new ATOM 0 HB VAL A 734 11.939 -12.335 -13.004 1.00 0.00 H new ATOM 0 HG11 VAL A 734 10.381 -14.033 -13.855 1.00 0.00 H new ATOM 0 HG12 VAL A 734 11.994 -14.163 -14.597 1.00 0.00 H new ATOM 0 HG13 VAL A 734 11.501 -15.312 -13.330 1.00 0.00 H new ATOM 0 HG21 VAL A 734 10.114 -13.194 -11.570 1.00 0.00 H new ATOM 0 HG22 VAL A 734 11.226 -14.414 -10.904 1.00 0.00 H new ATOM 0 HG23 VAL A 734 11.529 -12.683 -10.619 1.00 0.00 H new ATOM 266 N GLU A 735 13.872 -16.020 -12.829 1.00 0.00 N ATOM 267 CA GLU A 735 14.115 -17.424 -12.513 1.00 0.00 C ATOM 268 C GLU A 735 15.521 -17.602 -11.955 1.00 0.00 C ATOM 269 O GLU A 735 15.760 -18.451 -11.098 1.00 0.00 O ATOM 270 CB GLU A 735 13.923 -18.299 -13.748 1.00 0.00 C ATOM 271 CG GLU A 735 12.504 -18.290 -14.279 1.00 0.00 C ATOM 272 CD GLU A 735 12.340 -19.208 -15.468 1.00 0.00 C ATOM 273 OE1 GLU A 735 12.699 -18.804 -16.591 1.00 0.00 O ATOM 274 OE2 GLU A 735 11.866 -20.349 -15.280 1.00 0.00 O ATOM 0 H GLU A 735 13.888 -15.802 -13.825 1.00 0.00 H new ATOM 0 HA GLU A 735 13.393 -17.735 -11.758 1.00 0.00 H new ATOM 0 HB2 GLU A 735 14.599 -17.959 -14.533 1.00 0.00 H new ATOM 0 HB3 GLU A 735 14.206 -19.323 -13.505 1.00 0.00 H new ATOM 0 HG2 GLU A 735 11.819 -18.595 -13.488 1.00 0.00 H new ATOM 0 HG3 GLU A 735 12.230 -17.274 -14.564 1.00 0.00 H new ATOM 281 N PHE A 736 16.446 -16.786 -12.447 1.00 0.00 N ATOM 282 CA PHE A 736 17.808 -16.750 -11.930 1.00 0.00 C ATOM 283 C PHE A 736 17.796 -16.332 -10.463 1.00 0.00 C ATOM 284 O PHE A 736 18.571 -16.830 -9.648 1.00 0.00 O ATOM 285 CB PHE A 736 18.646 -15.782 -12.775 1.00 0.00 C ATOM 286 CG PHE A 736 19.939 -15.356 -12.149 1.00 0.00 C ATOM 287 CD1 PHE A 736 20.979 -16.250 -12.005 1.00 0.00 C ATOM 288 CD2 PHE A 736 20.115 -14.051 -11.720 1.00 0.00 C ATOM 289 CE1 PHE A 736 22.173 -15.854 -11.445 1.00 0.00 C ATOM 290 CE2 PHE A 736 21.307 -13.649 -11.156 1.00 0.00 C ATOM 291 CZ PHE A 736 22.338 -14.553 -11.018 1.00 0.00 C ATOM 0 H PHE A 736 16.274 -16.134 -13.212 1.00 0.00 H new ATOM 0 HA PHE A 736 18.255 -17.742 -11.993 1.00 0.00 H new ATOM 0 HB2 PHE A 736 18.861 -16.253 -13.734 1.00 0.00 H new ATOM 0 HB3 PHE A 736 18.049 -14.894 -12.983 1.00 0.00 H new ATOM 0 HD1 PHE A 736 20.856 -17.271 -12.335 1.00 0.00 H new ATOM 0 HD2 PHE A 736 19.309 -13.340 -11.829 1.00 0.00 H new ATOM 0 HE1 PHE A 736 22.981 -16.563 -11.340 1.00 0.00 H new ATOM 0 HE2 PHE A 736 21.432 -12.629 -10.823 1.00 0.00 H new ATOM 0 HZ PHE A 736 23.274 -14.243 -10.576 1.00 0.00 H new ATOM 301 N MET A 737 16.885 -15.427 -10.137 1.00 0.00 N ATOM 302 CA MET A 737 16.706 -14.962 -8.770 1.00 0.00 C ATOM 303 C MET A 737 16.013 -16.018 -7.916 1.00 0.00 C ATOM 304 O MET A 737 16.198 -16.061 -6.701 1.00 0.00 O ATOM 305 CB MET A 737 15.891 -13.670 -8.760 1.00 0.00 C ATOM 306 CG MET A 737 16.605 -12.503 -9.415 1.00 0.00 C ATOM 307 SD MET A 737 15.542 -11.064 -9.627 1.00 0.00 S ATOM 308 CE MET A 737 15.011 -10.772 -7.943 1.00 0.00 C ATOM 0 H MET A 737 16.251 -14.996 -10.810 1.00 0.00 H new ATOM 0 HA MET A 737 17.692 -14.772 -8.345 1.00 0.00 H new ATOM 0 HB2 MET A 737 14.945 -13.842 -9.273 1.00 0.00 H new ATOM 0 HB3 MET A 737 15.652 -13.408 -7.729 1.00 0.00 H new ATOM 0 HG2 MET A 737 17.468 -12.225 -8.810 1.00 0.00 H new ATOM 0 HG3 MET A 737 16.985 -12.815 -10.388 1.00 0.00 H new ATOM 0 HE1 MET A 737 14.541 -9.791 -7.875 1.00 0.00 H new ATOM 0 HE2 MET A 737 14.294 -11.539 -7.649 1.00 0.00 H new ATOM 0 HE3 MET A 737 15.874 -10.808 -7.278 1.00 0.00 H new ATOM 318 N ALA A 738 15.233 -16.879 -8.558 1.00 0.00 N ATOM 319 CA ALA A 738 14.458 -17.885 -7.850 1.00 0.00 C ATOM 320 C ALA A 738 15.281 -19.147 -7.643 1.00 0.00 C ATOM 321 O ALA A 738 15.034 -19.917 -6.714 1.00 0.00 O ATOM 322 CB ALA A 738 13.180 -18.204 -8.611 1.00 0.00 C ATOM 0 H ALA A 738 15.122 -16.899 -9.572 1.00 0.00 H new ATOM 0 HA ALA A 738 14.189 -17.486 -6.872 1.00 0.00 H new ATOM 0 HB1 ALA A 738 12.612 -18.959 -8.067 1.00 0.00 H new ATOM 0 HB2 ALA A 738 12.580 -17.299 -8.710 1.00 0.00 H new ATOM 0 HB3 ALA A 738 13.431 -18.583 -9.602 1.00 0.00 H new ATOM 328 N SER A 739 16.261 -19.349 -8.506 1.00 0.00 N ATOM 329 CA SER A 739 17.119 -20.511 -8.421 1.00 0.00 C ATOM 330 C SER A 739 18.332 -20.216 -7.538 1.00 0.00 C ATOM 331 O SER A 739 18.418 -19.151 -6.920 1.00 0.00 O ATOM 332 CB SER A 739 17.549 -20.940 -9.825 1.00 0.00 C ATOM 333 OG SER A 739 18.231 -19.898 -10.498 1.00 0.00 O ATOM 0 H SER A 739 16.481 -18.718 -9.277 1.00 0.00 H new ATOM 0 HA SER A 739 16.567 -21.332 -7.963 1.00 0.00 H new ATOM 0 HB2 SER A 739 18.195 -21.815 -9.758 1.00 0.00 H new ATOM 0 HB3 SER A 739 16.672 -21.235 -10.402 1.00 0.00 H new ATOM 0 HG SER A 739 17.582 -19.246 -10.834 1.00 0.00 H new ATOM 339 N LYS A 740 19.265 -21.157 -7.478 1.00 0.00 N ATOM 340 CA LYS A 740 20.425 -21.027 -6.607 1.00 0.00 C ATOM 341 C LYS A 740 21.659 -20.587 -7.385 1.00 0.00 C ATOM 342 O LYS A 740 22.784 -20.710 -6.898 1.00 0.00 O ATOM 343 CB LYS A 740 20.698 -22.351 -5.898 1.00 0.00 C ATOM 344 CG LYS A 740 19.564 -22.801 -4.989 1.00 0.00 C ATOM 345 CD LYS A 740 19.871 -24.132 -4.326 1.00 0.00 C ATOM 346 CE LYS A 740 21.103 -24.052 -3.435 1.00 0.00 C ATOM 347 NZ LYS A 740 21.401 -25.351 -2.781 1.00 0.00 N ATOM 0 H LYS A 740 19.241 -22.019 -8.023 1.00 0.00 H new ATOM 0 HA LYS A 740 20.204 -20.259 -5.866 1.00 0.00 H new ATOM 0 HB2 LYS A 740 20.881 -23.123 -6.646 1.00 0.00 H new ATOM 0 HB3 LYS A 740 21.610 -22.256 -5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 740 19.389 -22.045 -4.224 1.00 0.00 H new ATOM 0 HG3 LYS A 740 18.645 -22.886 -5.569 1.00 0.00 H new ATOM 0 HD2 LYS A 740 19.013 -24.448 -3.732 1.00 0.00 H new ATOM 0 HD3 LYS A 740 20.026 -24.892 -5.092 1.00 0.00 H new ATOM 0 HE2 LYS A 740 21.961 -23.740 -4.030 1.00 0.00 H new ATOM 0 HE3 LYS A 740 20.950 -23.289 -2.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 22.247 -25.253 -2.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 20.593 -25.637 -2.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 21.573 -26.074 -3.508 1.00 0.00 H new ATOM 361 N LYS A 741 21.450 -20.075 -8.587 1.00 0.00 N ATOM 362 CA LYS A 741 22.552 -19.566 -9.386 1.00 0.00 C ATOM 363 C LYS A 741 23.041 -18.252 -8.800 1.00 0.00 C ATOM 364 O LYS A 741 22.244 -17.375 -8.485 1.00 0.00 O ATOM 365 CB LYS A 741 22.123 -19.347 -10.835 1.00 0.00 C ATOM 366 CG LYS A 741 21.642 -20.603 -11.540 1.00 0.00 C ATOM 367 CD LYS A 741 21.104 -20.287 -12.928 1.00 0.00 C ATOM 368 CE LYS A 741 20.731 -21.548 -13.692 1.00 0.00 C ATOM 369 NZ LYS A 741 19.742 -22.379 -12.955 1.00 0.00 N ATOM 0 H LYS A 741 20.533 -20.001 -9.028 1.00 0.00 H new ATOM 0 HA LYS A 741 23.355 -20.303 -9.371 1.00 0.00 H new ATOM 0 HB2 LYS A 741 21.326 -18.604 -10.857 1.00 0.00 H new ATOM 0 HB3 LYS A 741 22.963 -18.931 -11.392 1.00 0.00 H new ATOM 0 HG2 LYS A 741 22.463 -21.315 -11.620 1.00 0.00 H new ATOM 0 HG3 LYS A 741 20.863 -21.080 -10.946 1.00 0.00 H new ATOM 0 HD2 LYS A 741 20.229 -19.643 -12.840 1.00 0.00 H new ATOM 0 HD3 LYS A 741 21.854 -19.730 -13.490 1.00 0.00 H new ATOM 0 HE2 LYS A 741 20.320 -21.274 -14.664 1.00 0.00 H new ATOM 0 HE3 LYS A 741 21.629 -22.136 -13.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 741 19.403 -23.144 -13.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 741 20.192 -22.789 -12.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 741 18.938 -21.786 -12.665 1.00 0.00 H new ATOM 383 N MET A 742 24.345 -18.125 -8.640 1.00 0.00 N ATOM 384 CA MET A 742 24.925 -16.904 -8.103 1.00 0.00 C ATOM 385 C MET A 742 25.225 -15.918 -9.221 1.00 0.00 C ATOM 386 O MET A 742 25.192 -14.703 -9.015 1.00 0.00 O ATOM 387 CB MET A 742 26.197 -17.222 -7.317 1.00 0.00 C ATOM 388 CG MET A 742 25.934 -17.986 -6.030 1.00 0.00 C ATOM 389 SD MET A 742 25.028 -17.004 -4.818 1.00 0.00 S ATOM 390 CE MET A 742 24.743 -18.217 -3.530 1.00 0.00 C ATOM 0 H MET A 742 25.023 -18.850 -8.873 1.00 0.00 H new ATOM 0 HA MET A 742 24.203 -16.447 -7.427 1.00 0.00 H new ATOM 0 HB2 MET A 742 26.868 -17.806 -7.947 1.00 0.00 H new ATOM 0 HB3 MET A 742 26.711 -16.291 -7.080 1.00 0.00 H new ATOM 0 HG2 MET A 742 25.368 -18.890 -6.257 1.00 0.00 H new ATOM 0 HG3 MET A 742 26.883 -18.304 -5.599 1.00 0.00 H new ATOM 0 HE1 MET A 742 24.191 -17.755 -2.711 1.00 0.00 H new ATOM 0 HE2 MET A 742 24.165 -19.048 -3.934 1.00 0.00 H new ATOM 0 HE3 MET A 742 25.699 -18.587 -3.160 1.00 0.00 H new ATOM 400 N GLN A 743 25.492 -16.450 -10.409 1.00 0.00 N ATOM 401 CA GLN A 743 25.845 -15.627 -11.560 1.00 0.00 C ATOM 402 C GLN A 743 25.204 -16.183 -12.824 1.00 0.00 C ATOM 403 O GLN A 743 25.195 -17.394 -13.045 1.00 0.00 O ATOM 404 CB GLN A 743 27.364 -15.558 -11.747 1.00 0.00 C ATOM 405 CG GLN A 743 28.106 -14.930 -10.580 1.00 0.00 C ATOM 406 CD GLN A 743 29.589 -14.780 -10.852 1.00 0.00 C ATOM 407 OE1 GLN A 743 30.376 -15.689 -10.587 1.00 0.00 O ATOM 408 NE2 GLN A 743 29.982 -13.630 -11.375 1.00 0.00 N ATOM 0 H GLN A 743 25.470 -17.452 -10.600 1.00 0.00 H new ATOM 0 HA GLN A 743 25.471 -14.620 -11.374 1.00 0.00 H new ATOM 0 HB2 GLN A 743 27.746 -16.567 -11.905 1.00 0.00 H new ATOM 0 HB3 GLN A 743 27.582 -14.989 -12.651 1.00 0.00 H new ATOM 0 HG2 GLN A 743 27.678 -13.951 -10.365 1.00 0.00 H new ATOM 0 HG3 GLN A 743 27.963 -15.543 -9.690 1.00 0.00 H new ATOM 0 HE21 GLN A 743 29.297 -12.902 -11.580 1.00 0.00 H new ATOM 0 HE22 GLN A 743 30.970 -13.471 -11.573 1.00 0.00 H new ATOM 417 N LEU A 744 24.661 -15.295 -13.639 1.00 0.00 N ATOM 418 CA LEU A 744 24.033 -15.679 -14.889 1.00 0.00 C ATOM 419 C LEU A 744 24.918 -15.252 -16.052 1.00 0.00 C ATOM 420 O LEU A 744 24.991 -14.068 -16.381 1.00 0.00 O ATOM 421 CB LEU A 744 22.655 -15.020 -15.013 1.00 0.00 C ATOM 422 CG LEU A 744 21.554 -15.887 -15.641 1.00 0.00 C ATOM 423 CD1 LEU A 744 20.255 -15.105 -15.734 1.00 0.00 C ATOM 424 CD2 LEU A 744 21.958 -16.398 -17.014 1.00 0.00 C ATOM 0 H LEU A 744 24.643 -14.292 -13.453 1.00 0.00 H new ATOM 0 HA LEU A 744 23.905 -16.761 -14.908 1.00 0.00 H new ATOM 0 HB2 LEU A 744 22.328 -14.715 -14.019 1.00 0.00 H new ATOM 0 HB3 LEU A 744 22.759 -14.112 -15.607 1.00 0.00 H new ATOM 0 HG LEU A 744 21.405 -16.752 -14.994 1.00 0.00 H new ATOM 0 HD11 LEU A 744 19.484 -15.732 -16.181 1.00 0.00 H new ATOM 0 HD12 LEU A 744 19.941 -14.801 -14.735 1.00 0.00 H new ATOM 0 HD13 LEU A 744 20.406 -14.220 -16.352 1.00 0.00 H new ATOM 0 HD21 LEU A 744 21.154 -17.007 -17.427 1.00 0.00 H new ATOM 0 HD22 LEU A 744 22.149 -15.553 -17.675 1.00 0.00 H new ATOM 0 HD23 LEU A 744 22.862 -17.001 -16.926 1.00 0.00 H new ATOM 436 N GLU A 745 25.614 -16.208 -16.644 1.00 0.00 N ATOM 437 CA GLU A 745 26.456 -15.928 -17.797 1.00 0.00 C ATOM 438 C GLU A 745 25.645 -16.005 -19.082 1.00 0.00 C ATOM 439 O GLU A 745 25.310 -17.091 -19.556 1.00 0.00 O ATOM 440 CB GLU A 745 27.629 -16.905 -17.862 1.00 0.00 C ATOM 441 CG GLU A 745 28.601 -16.773 -16.704 1.00 0.00 C ATOM 442 CD GLU A 745 29.819 -17.651 -16.877 1.00 0.00 C ATOM 443 OE1 GLU A 745 30.691 -17.306 -17.701 1.00 0.00 O ATOM 444 OE2 GLU A 745 29.925 -18.683 -16.183 1.00 0.00 O ATOM 0 H GLU A 745 25.613 -17.184 -16.347 1.00 0.00 H new ATOM 0 HA GLU A 745 26.850 -14.917 -17.689 1.00 0.00 H new ATOM 0 HB2 GLU A 745 27.241 -17.923 -17.884 1.00 0.00 H new ATOM 0 HB3 GLU A 745 28.168 -16.749 -18.796 1.00 0.00 H new ATOM 0 HG2 GLU A 745 28.915 -15.733 -16.612 1.00 0.00 H new ATOM 0 HG3 GLU A 745 28.095 -17.036 -15.775 1.00 0.00 H new ATOM 451 N PHE A 746 25.309 -14.847 -19.626 1.00 0.00 N ATOM 452 CA PHE A 746 24.594 -14.780 -20.889 1.00 0.00 C ATOM 453 C PHE A 746 25.564 -14.928 -22.061 1.00 0.00 C ATOM 454 O PHE A 746 26.741 -14.586 -21.944 1.00 0.00 O ATOM 455 CB PHE A 746 23.836 -13.459 -21.008 1.00 0.00 C ATOM 456 CG PHE A 746 22.607 -13.371 -20.149 1.00 0.00 C ATOM 457 CD1 PHE A 746 22.678 -12.909 -18.845 1.00 0.00 C ATOM 458 CD2 PHE A 746 21.372 -13.735 -20.660 1.00 0.00 C ATOM 459 CE1 PHE A 746 21.540 -12.809 -18.070 1.00 0.00 C ATOM 460 CE2 PHE A 746 20.232 -13.642 -19.887 1.00 0.00 C ATOM 461 CZ PHE A 746 20.315 -13.177 -18.591 1.00 0.00 C ATOM 0 H PHE A 746 25.520 -13.939 -19.212 1.00 0.00 H new ATOM 0 HA PHE A 746 23.877 -15.601 -20.917 1.00 0.00 H new ATOM 0 HB2 PHE A 746 24.509 -12.643 -20.744 1.00 0.00 H new ATOM 0 HB3 PHE A 746 23.549 -13.311 -22.049 1.00 0.00 H new ATOM 0 HD1 PHE A 746 23.634 -12.624 -18.430 1.00 0.00 H new ATOM 0 HD2 PHE A 746 21.300 -14.096 -21.675 1.00 0.00 H new ATOM 0 HE1 PHE A 746 21.608 -12.443 -17.056 1.00 0.00 H new ATOM 0 HE2 PHE A 746 19.276 -13.933 -20.297 1.00 0.00 H new ATOM 0 HZ PHE A 746 19.424 -13.101 -17.985 1.00 0.00 H new ATOM 471 N PRO A 747 25.084 -15.455 -23.200 1.00 0.00 N ATOM 472 CA PRO A 747 25.904 -15.618 -24.405 1.00 0.00 C ATOM 473 C PRO A 747 26.343 -14.277 -25.000 1.00 0.00 C ATOM 474 O PRO A 747 25.669 -13.262 -24.825 1.00 0.00 O ATOM 475 CB PRO A 747 24.976 -16.351 -25.386 1.00 0.00 C ATOM 476 CG PRO A 747 23.868 -16.894 -24.552 1.00 0.00 C ATOM 477 CD PRO A 747 23.713 -15.946 -23.401 1.00 0.00 C ATOM 0 HA PRO A 747 26.827 -16.155 -24.189 1.00 0.00 H new ATOM 0 HB2 PRO A 747 24.596 -15.672 -26.150 1.00 0.00 H new ATOM 0 HB3 PRO A 747 25.505 -17.150 -25.905 1.00 0.00 H new ATOM 0 HG2 PRO A 747 22.945 -16.963 -25.127 1.00 0.00 H new ATOM 0 HG3 PRO A 747 24.101 -17.899 -24.201 1.00 0.00 H new ATOM 0 HD2 PRO A 747 23.023 -15.135 -23.634 1.00 0.00 H new ATOM 0 HD3 PRO A 747 23.328 -16.447 -22.513 1.00 0.00 H new ATOM 485 N PRO A 748 27.478 -14.263 -25.719 1.00 0.00 N ATOM 486 CA PRO A 748 28.011 -13.049 -26.363 1.00 0.00 C ATOM 487 C PRO A 748 27.129 -12.540 -27.504 1.00 0.00 C ATOM 488 O PRO A 748 27.391 -11.484 -28.080 1.00 0.00 O ATOM 489 CB PRO A 748 29.362 -13.499 -26.921 1.00 0.00 C ATOM 490 CG PRO A 748 29.256 -14.979 -27.050 1.00 0.00 C ATOM 491 CD PRO A 748 28.354 -15.428 -25.940 1.00 0.00 C ATOM 0 HA PRO A 748 28.069 -12.223 -25.654 1.00 0.00 H new ATOM 0 HB2 PRO A 748 29.565 -13.033 -27.885 1.00 0.00 H new ATOM 0 HB3 PRO A 748 30.177 -13.219 -26.254 1.00 0.00 H new ATOM 0 HG2 PRO A 748 28.847 -15.258 -28.021 1.00 0.00 H new ATOM 0 HG3 PRO A 748 30.236 -15.449 -26.970 1.00 0.00 H new ATOM 0 HD2 PRO A 748 27.783 -16.313 -26.220 1.00 0.00 H new ATOM 0 HD3 PRO A 748 28.918 -15.683 -25.043 1.00 0.00 H new ATOM 499 N SER A 749 26.093 -13.305 -27.832 1.00 0.00 N ATOM 500 CA SER A 749 25.165 -12.930 -28.891 1.00 0.00 C ATOM 501 C SER A 749 24.287 -11.757 -28.453 1.00 0.00 C ATOM 502 O SER A 749 23.615 -11.138 -29.278 1.00 0.00 O ATOM 503 CB SER A 749 24.295 -14.129 -29.291 1.00 0.00 C ATOM 504 OG SER A 749 23.508 -13.832 -30.435 1.00 0.00 O ATOM 0 H SER A 749 25.875 -14.192 -27.377 1.00 0.00 H new ATOM 0 HA SER A 749 25.746 -12.617 -29.758 1.00 0.00 H new ATOM 0 HB2 SER A 749 24.930 -14.990 -29.497 1.00 0.00 H new ATOM 0 HB3 SER A 749 23.645 -14.404 -28.460 1.00 0.00 H new ATOM 0 HG SER A 749 23.257 -12.885 -30.423 1.00 0.00 H new ATOM 510 N LEU A 750 24.287 -11.467 -27.156 1.00 0.00 N ATOM 511 CA LEU A 750 23.572 -10.311 -26.630 1.00 0.00 C ATOM 512 C LEU A 750 24.295 -9.033 -27.037 1.00 0.00 C ATOM 513 O LEU A 750 25.414 -8.776 -26.586 1.00 0.00 O ATOM 514 CB LEU A 750 23.463 -10.375 -25.101 1.00 0.00 C ATOM 515 CG LEU A 750 22.309 -11.216 -24.550 1.00 0.00 C ATOM 516 CD1 LEU A 750 22.498 -12.694 -24.872 1.00 0.00 C ATOM 517 CD2 LEU A 750 22.182 -11.002 -23.050 1.00 0.00 C ATOM 0 H LEU A 750 24.775 -12.018 -26.450 1.00 0.00 H new ATOM 0 HA LEU A 750 22.564 -10.315 -27.045 1.00 0.00 H new ATOM 0 HB2 LEU A 750 24.398 -10.772 -24.705 1.00 0.00 H new ATOM 0 HB3 LEU A 750 23.361 -9.359 -24.720 1.00 0.00 H new ATOM 0 HG LEU A 750 21.387 -10.892 -25.032 1.00 0.00 H new ATOM 0 HD11 LEU A 750 21.662 -13.264 -24.467 1.00 0.00 H new ATOM 0 HD12 LEU A 750 22.540 -12.828 -25.953 1.00 0.00 H new ATOM 0 HD13 LEU A 750 23.428 -13.047 -24.426 1.00 0.00 H new ATOM 0 HD21 LEU A 750 21.359 -11.604 -22.665 1.00 0.00 H new ATOM 0 HD22 LEU A 750 23.109 -11.300 -22.560 1.00 0.00 H new ATOM 0 HD23 LEU A 750 21.987 -9.949 -22.848 1.00 0.00 H new ATOM 529 N ASN A 751 23.664 -8.242 -27.893 1.00 0.00 N ATOM 530 CA ASN A 751 24.265 -7.001 -28.364 1.00 0.00 C ATOM 531 C ASN A 751 23.983 -5.866 -27.382 1.00 0.00 C ATOM 532 O ASN A 751 23.483 -6.104 -26.282 1.00 0.00 O ATOM 533 CB ASN A 751 23.771 -6.653 -29.780 1.00 0.00 C ATOM 534 CG ASN A 751 22.265 -6.473 -29.887 1.00 0.00 C ATOM 535 OD1 ASN A 751 21.608 -5.988 -28.968 1.00 0.00 O ATOM 536 ND2 ASN A 751 21.712 -6.861 -31.026 1.00 0.00 N ATOM 0 H ASN A 751 22.738 -8.436 -28.275 1.00 0.00 H new ATOM 0 HA ASN A 751 25.345 -7.139 -28.419 1.00 0.00 H new ATOM 0 HB2 ASN A 751 24.260 -5.736 -30.108 1.00 0.00 H new ATOM 0 HB3 ASN A 751 24.081 -7.442 -30.465 1.00 0.00 H new ATOM 0 HD21 ASN A 751 20.706 -6.762 -31.164 1.00 0.00 H new ATOM 0 HD22 ASN A 751 22.292 -7.259 -31.765 1.00 0.00 H new ATOM 543 N SER A 752 24.305 -4.638 -27.777 1.00 0.00 N ATOM 544 CA SER A 752 24.147 -3.481 -26.904 1.00 0.00 C ATOM 545 C SER A 752 22.702 -3.332 -26.434 1.00 0.00 C ATOM 546 O SER A 752 22.453 -2.995 -25.277 1.00 0.00 O ATOM 547 CB SER A 752 24.609 -2.218 -27.627 1.00 0.00 C ATOM 548 OG SER A 752 25.928 -2.380 -28.123 1.00 0.00 O ATOM 0 H SER A 752 24.679 -4.419 -28.700 1.00 0.00 H new ATOM 0 HA SER A 752 24.766 -3.633 -26.020 1.00 0.00 H new ATOM 0 HB2 SER A 752 23.930 -1.995 -28.450 1.00 0.00 H new ATOM 0 HB3 SER A 752 24.573 -1.368 -26.945 1.00 0.00 H new ATOM 0 HG SER A 752 26.207 -1.562 -28.585 1.00 0.00 H new ATOM 554 N HIS A 753 21.759 -3.609 -27.326 1.00 0.00 N ATOM 555 CA HIS A 753 20.341 -3.535 -26.988 1.00 0.00 C ATOM 556 C HIS A 753 19.953 -4.655 -26.024 1.00 0.00 C ATOM 557 O HIS A 753 19.306 -4.410 -25.003 1.00 0.00 O ATOM 558 CB HIS A 753 19.485 -3.607 -28.260 1.00 0.00 C ATOM 559 CG HIS A 753 18.008 -3.712 -27.996 1.00 0.00 C ATOM 560 ND1 HIS A 753 17.281 -4.875 -28.147 1.00 0.00 N ATOM 561 CD2 HIS A 753 17.124 -2.774 -27.567 1.00 0.00 C ATOM 562 CE1 HIS A 753 16.011 -4.615 -27.814 1.00 0.00 C ATOM 563 NE2 HIS A 753 15.861 -3.353 -27.453 1.00 0.00 N ATOM 0 H HIS A 753 21.949 -3.887 -28.289 1.00 0.00 H new ATOM 0 HA HIS A 753 20.157 -2.581 -26.495 1.00 0.00 H new ATOM 0 HB2 HIS A 753 19.674 -2.719 -28.864 1.00 0.00 H new ATOM 0 HB3 HIS A 753 19.801 -4.467 -28.850 1.00 0.00 H new ATOM 0 HD2 HIS A 753 17.362 -1.743 -27.349 1.00 0.00 H new ATOM 0 HE1 HIS A 753 15.213 -5.342 -27.837 1.00 0.00 H new ATOM 0 HE2 HIS A 753 14.999 -2.897 -27.153 1.00 0.00 H new ATOM 571 N ASP A 754 20.353 -5.879 -26.354 1.00 0.00 N ATOM 572 CA ASP A 754 20.034 -7.042 -25.529 1.00 0.00 C ATOM 573 C ASP A 754 20.598 -6.871 -24.126 1.00 0.00 C ATOM 574 O ASP A 754 19.888 -7.030 -23.126 1.00 0.00 O ATOM 575 CB ASP A 754 20.600 -8.327 -26.138 1.00 0.00 C ATOM 576 CG ASP A 754 20.075 -8.625 -27.526 1.00 0.00 C ATOM 577 OD1 ASP A 754 18.841 -8.599 -27.726 1.00 0.00 O ATOM 578 OD2 ASP A 754 20.903 -8.893 -28.426 1.00 0.00 O ATOM 0 H ASP A 754 20.900 -6.093 -27.188 1.00 0.00 H new ATOM 0 HA ASP A 754 18.948 -7.120 -25.483 1.00 0.00 H new ATOM 0 HB2 ASP A 754 21.687 -8.251 -26.179 1.00 0.00 H new ATOM 0 HB3 ASP A 754 20.363 -9.165 -25.482 1.00 0.00 H new ATOM 583 N ARG A 755 21.882 -6.534 -24.059 1.00 0.00 N ATOM 584 CA ARG A 755 22.550 -6.330 -22.784 1.00 0.00 C ATOM 585 C ARG A 755 21.888 -5.198 -22.016 1.00 0.00 C ATOM 586 O ARG A 755 21.690 -5.304 -20.811 1.00 0.00 O ATOM 587 CB ARG A 755 24.043 -6.040 -22.983 1.00 0.00 C ATOM 588 CG ARG A 755 24.788 -7.176 -23.666 1.00 0.00 C ATOM 589 CD ARG A 755 26.297 -6.974 -23.655 1.00 0.00 C ATOM 590 NE ARG A 755 26.716 -5.782 -24.398 1.00 0.00 N ATOM 591 CZ ARG A 755 27.675 -5.782 -25.331 1.00 0.00 C ATOM 592 NH1 ARG A 755 28.249 -6.917 -25.705 1.00 0.00 N ATOM 593 NH2 ARG A 755 28.054 -4.646 -25.901 1.00 0.00 N ATOM 0 H ARG A 755 22.479 -6.397 -24.875 1.00 0.00 H new ATOM 0 HA ARG A 755 22.459 -7.248 -22.204 1.00 0.00 H new ATOM 0 HB2 ARG A 755 24.154 -5.133 -23.576 1.00 0.00 H new ATOM 0 HB3 ARG A 755 24.501 -5.845 -22.013 1.00 0.00 H new ATOM 0 HG2 ARG A 755 24.547 -8.115 -23.168 1.00 0.00 H new ATOM 0 HG3 ARG A 755 24.444 -7.264 -24.697 1.00 0.00 H new ATOM 0 HD2 ARG A 755 26.641 -6.893 -22.624 1.00 0.00 H new ATOM 0 HD3 ARG A 755 26.780 -7.852 -24.084 1.00 0.00 H new ATOM 0 HE ARG A 755 26.248 -4.899 -24.191 1.00 0.00 H new ATOM 0 HH11 ARG A 755 27.960 -7.799 -25.281 1.00 0.00 H new ATOM 0 HH12 ARG A 755 28.979 -6.909 -26.417 1.00 0.00 H new ATOM 0 HH21 ARG A 755 27.614 -3.767 -25.629 1.00 0.00 H new ATOM 0 HH22 ARG A 755 28.786 -4.651 -26.612 1.00 0.00 H new ATOM 607 N LEU A 756 21.521 -4.133 -22.726 1.00 0.00 N ATOM 608 CA LEU A 756 20.844 -2.992 -22.114 1.00 0.00 C ATOM 609 C LEU A 756 19.585 -3.437 -21.387 1.00 0.00 C ATOM 610 O LEU A 756 19.322 -3.002 -20.267 1.00 0.00 O ATOM 611 CB LEU A 756 20.479 -1.949 -23.171 1.00 0.00 C ATOM 612 CG LEU A 756 19.649 -0.770 -22.662 1.00 0.00 C ATOM 613 CD1 LEU A 756 20.443 0.077 -21.679 1.00 0.00 C ATOM 614 CD2 LEU A 756 19.158 0.073 -23.826 1.00 0.00 C ATOM 0 H LEU A 756 21.682 -4.037 -23.729 1.00 0.00 H new ATOM 0 HA LEU A 756 21.531 -2.546 -21.395 1.00 0.00 H new ATOM 0 HB2 LEU A 756 21.399 -1.563 -23.610 1.00 0.00 H new ATOM 0 HB3 LEU A 756 19.927 -2.443 -23.971 1.00 0.00 H new ATOM 0 HG LEU A 756 18.783 -1.168 -22.133 1.00 0.00 H new ATOM 0 HD11 LEU A 756 19.827 0.908 -21.334 1.00 0.00 H new ATOM 0 HD12 LEU A 756 20.737 -0.535 -20.826 1.00 0.00 H new ATOM 0 HD13 LEU A 756 21.334 0.466 -22.171 1.00 0.00 H new ATOM 0 HD21 LEU A 756 18.569 0.908 -23.447 1.00 0.00 H new ATOM 0 HD22 LEU A 756 20.013 0.455 -24.384 1.00 0.00 H new ATOM 0 HD23 LEU A 756 18.540 -0.539 -24.483 1.00 0.00 H new ATOM 626 N ARG A 757 18.812 -4.309 -22.025 1.00 0.00 N ATOM 627 CA ARG A 757 17.593 -4.823 -21.427 1.00 0.00 C ATOM 628 C ARG A 757 17.913 -5.541 -20.124 1.00 0.00 C ATOM 629 O ARG A 757 17.226 -5.367 -19.119 1.00 0.00 O ATOM 630 CB ARG A 757 16.884 -5.778 -22.390 1.00 0.00 C ATOM 631 CG ARG A 757 15.481 -6.155 -21.945 1.00 0.00 C ATOM 632 CD ARG A 757 14.570 -4.937 -21.918 1.00 0.00 C ATOM 633 NE ARG A 757 13.221 -5.247 -21.442 1.00 0.00 N ATOM 634 CZ ARG A 757 12.173 -4.442 -21.628 1.00 0.00 C ATOM 635 NH1 ARG A 757 12.306 -3.327 -22.344 1.00 0.00 N ATOM 636 NH2 ARG A 757 10.993 -4.757 -21.108 1.00 0.00 N ATOM 0 H ARG A 757 19.011 -4.673 -22.957 1.00 0.00 H new ATOM 0 HA ARG A 757 16.929 -3.984 -21.218 1.00 0.00 H new ATOM 0 HB2 ARG A 757 16.832 -5.315 -23.376 1.00 0.00 H new ATOM 0 HB3 ARG A 757 17.480 -6.685 -22.494 1.00 0.00 H new ATOM 0 HG2 ARG A 757 15.071 -6.905 -22.621 1.00 0.00 H new ATOM 0 HG3 ARG A 757 15.519 -6.606 -20.954 1.00 0.00 H new ATOM 0 HD2 ARG A 757 15.010 -4.174 -21.276 1.00 0.00 H new ATOM 0 HD3 ARG A 757 14.508 -4.513 -22.920 1.00 0.00 H new ATOM 0 HE ARG A 757 13.074 -6.124 -20.942 1.00 0.00 H new ATOM 0 HH11 ARG A 757 13.210 -3.087 -22.751 1.00 0.00 H new ATOM 0 HH12 ARG A 757 11.504 -2.713 -22.485 1.00 0.00 H new ATOM 0 HH21 ARG A 757 10.887 -5.615 -20.566 1.00 0.00 H new ATOM 0 HH22 ARG A 757 10.192 -4.141 -21.250 1.00 0.00 H new ATOM 650 N VAL A 758 18.974 -6.333 -20.150 1.00 0.00 N ATOM 651 CA VAL A 758 19.416 -7.055 -18.966 1.00 0.00 C ATOM 652 C VAL A 758 19.878 -6.085 -17.874 1.00 0.00 C ATOM 653 O VAL A 758 19.461 -6.207 -16.721 1.00 0.00 O ATOM 654 CB VAL A 758 20.553 -8.040 -19.299 1.00 0.00 C ATOM 655 CG1 VAL A 758 20.958 -8.832 -18.069 1.00 0.00 C ATOM 656 CG2 VAL A 758 20.144 -8.979 -20.419 1.00 0.00 C ATOM 0 H VAL A 758 19.546 -6.492 -20.979 1.00 0.00 H new ATOM 0 HA VAL A 758 18.562 -7.624 -18.598 1.00 0.00 H new ATOM 0 HB VAL A 758 21.412 -7.459 -19.634 1.00 0.00 H new ATOM 0 HG11 VAL A 758 21.762 -9.521 -18.328 1.00 0.00 H new ATOM 0 HG12 VAL A 758 21.302 -8.148 -17.293 1.00 0.00 H new ATOM 0 HG13 VAL A 758 20.101 -9.396 -17.701 1.00 0.00 H new ATOM 0 HG21 VAL A 758 20.963 -9.665 -20.636 1.00 0.00 H new ATOM 0 HG22 VAL A 758 19.266 -9.548 -20.114 1.00 0.00 H new ATOM 0 HG23 VAL A 758 19.909 -8.400 -21.312 1.00 0.00 H new ATOM 666 N HIS A 759 20.722 -5.118 -18.244 1.00 0.00 N ATOM 667 CA HIS A 759 21.202 -4.114 -17.291 1.00 0.00 C ATOM 668 C HIS A 759 20.024 -3.375 -16.661 1.00 0.00 C ATOM 669 O HIS A 759 19.966 -3.213 -15.444 1.00 0.00 O ATOM 670 CB HIS A 759 22.145 -3.097 -17.956 1.00 0.00 C ATOM 671 CG HIS A 759 23.467 -3.656 -18.403 1.00 0.00 C ATOM 672 ND1 HIS A 759 24.442 -4.002 -17.503 1.00 0.00 N ATOM 673 CD2 HIS A 759 23.934 -3.873 -19.654 1.00 0.00 C ATOM 674 CE1 HIS A 759 25.469 -4.416 -18.219 1.00 0.00 C ATOM 675 NE2 HIS A 759 25.213 -4.355 -19.530 1.00 0.00 N ATOM 0 H HIS A 759 21.085 -5.009 -19.191 1.00 0.00 H new ATOM 0 HA HIS A 759 21.761 -4.643 -16.520 1.00 0.00 H new ATOM 0 HB2 HIS A 759 21.639 -2.665 -18.820 1.00 0.00 H new ATOM 0 HB3 HIS A 759 22.330 -2.283 -17.255 1.00 0.00 H new ATOM 0 HD1 HIS A 759 24.384 -3.950 -16.486 1.00 0.00 H new ATOM 0 HD2 HIS A 759 23.401 -3.700 -20.577 1.00 0.00 H new ATOM 0 HE1 HIS A 759 26.402 -4.762 -17.798 1.00 0.00 H new ATOM 683 N GLN A 760 19.085 -2.942 -17.505 1.00 0.00 N ATOM 684 CA GLN A 760 17.873 -2.264 -17.049 1.00 0.00 C ATOM 685 C GLN A 760 17.150 -3.066 -15.970 1.00 0.00 C ATOM 686 O GLN A 760 16.865 -2.553 -14.888 1.00 0.00 O ATOM 687 CB GLN A 760 16.919 -2.037 -18.225 1.00 0.00 C ATOM 688 CG GLN A 760 17.255 -0.828 -19.086 1.00 0.00 C ATOM 689 CD GLN A 760 16.326 -0.697 -20.281 1.00 0.00 C ATOM 690 OE1 GLN A 760 15.183 -1.146 -20.243 1.00 0.00 O ATOM 691 NE2 GLN A 760 16.804 -0.066 -21.342 1.00 0.00 N ATOM 0 H GLN A 760 19.144 -3.051 -18.517 1.00 0.00 H new ATOM 0 HA GLN A 760 18.177 -1.307 -16.625 1.00 0.00 H new ATOM 0 HB2 GLN A 760 16.920 -2.927 -18.854 1.00 0.00 H new ATOM 0 HB3 GLN A 760 15.907 -1.922 -17.838 1.00 0.00 H new ATOM 0 HG2 GLN A 760 17.194 0.076 -18.480 1.00 0.00 H new ATOM 0 HG3 GLN A 760 18.284 -0.908 -19.435 1.00 0.00 H new ATOM 0 HE21 GLN A 760 17.759 0.293 -21.335 1.00 0.00 H new ATOM 0 HE22 GLN A 760 16.217 0.062 -22.167 1.00 0.00 H new ATOM 700 N ILE A 761 16.863 -4.325 -16.271 1.00 0.00 N ATOM 701 CA ILE A 761 16.096 -5.170 -15.366 1.00 0.00 C ATOM 702 C ILE A 761 16.862 -5.439 -14.070 1.00 0.00 C ATOM 703 O ILE A 761 16.299 -5.355 -12.981 1.00 0.00 O ATOM 704 CB ILE A 761 15.714 -6.505 -16.038 1.00 0.00 C ATOM 705 CG1 ILE A 761 14.891 -6.232 -17.297 1.00 0.00 C ATOM 706 CG2 ILE A 761 14.935 -7.392 -15.072 1.00 0.00 C ATOM 707 CD1 ILE A 761 14.733 -7.437 -18.194 1.00 0.00 C ATOM 0 H ILE A 761 17.150 -4.784 -17.135 1.00 0.00 H new ATOM 0 HA ILE A 761 15.182 -4.629 -15.120 1.00 0.00 H new ATOM 0 HB ILE A 761 16.627 -7.032 -16.317 1.00 0.00 H new ATOM 0 HG12 ILE A 761 13.903 -5.876 -17.004 1.00 0.00 H new ATOM 0 HG13 ILE A 761 15.364 -5.429 -17.862 1.00 0.00 H new ATOM 0 HG21 ILE A 761 14.676 -8.328 -15.566 1.00 0.00 H new ATOM 0 HG22 ILE A 761 15.548 -7.602 -14.196 1.00 0.00 H new ATOM 0 HG23 ILE A 761 14.024 -6.880 -14.763 1.00 0.00 H new ATOM 0 HD11 ILE A 761 14.138 -7.166 -19.066 1.00 0.00 H new ATOM 0 HD12 ILE A 761 15.715 -7.781 -18.518 1.00 0.00 H new ATOM 0 HD13 ILE A 761 14.232 -8.235 -17.646 1.00 0.00 H new ATOM 719 N ALA A 762 18.152 -5.733 -14.188 1.00 0.00 N ATOM 720 CA ALA A 762 18.978 -6.004 -13.019 1.00 0.00 C ATOM 721 C ALA A 762 19.096 -4.761 -12.143 1.00 0.00 C ATOM 722 O ALA A 762 19.098 -4.849 -10.913 1.00 0.00 O ATOM 723 CB ALA A 762 20.351 -6.493 -13.450 1.00 0.00 C ATOM 0 H ALA A 762 18.646 -5.789 -15.078 1.00 0.00 H new ATOM 0 HA ALA A 762 18.501 -6.787 -12.429 1.00 0.00 H new ATOM 0 HB1 ALA A 762 20.960 -6.692 -12.568 1.00 0.00 H new ATOM 0 HB2 ALA A 762 20.245 -7.408 -14.032 1.00 0.00 H new ATOM 0 HB3 ALA A 762 20.834 -5.729 -14.059 1.00 0.00 H new ATOM 729 N GLU A 763 19.175 -3.604 -12.787 1.00 0.00 N ATOM 730 CA GLU A 763 19.259 -2.329 -12.090 1.00 0.00 C ATOM 731 C GLU A 763 17.933 -2.011 -11.401 1.00 0.00 C ATOM 732 O GLU A 763 17.908 -1.458 -10.298 1.00 0.00 O ATOM 733 CB GLU A 763 19.632 -1.233 -13.090 1.00 0.00 C ATOM 734 CG GLU A 763 19.927 0.118 -12.466 1.00 0.00 C ATOM 735 CD GLU A 763 20.468 1.105 -13.480 1.00 0.00 C ATOM 736 OE1 GLU A 763 19.672 1.667 -14.261 1.00 0.00 O ATOM 737 OE2 GLU A 763 21.701 1.316 -13.514 1.00 0.00 O ATOM 0 H GLU A 763 19.183 -3.524 -13.804 1.00 0.00 H new ATOM 0 HA GLU A 763 20.029 -2.384 -11.320 1.00 0.00 H new ATOM 0 HB2 GLU A 763 20.507 -1.557 -13.654 1.00 0.00 H new ATOM 0 HB3 GLU A 763 18.817 -1.118 -13.804 1.00 0.00 H new ATOM 0 HG2 GLU A 763 19.016 0.518 -12.021 1.00 0.00 H new ATOM 0 HG3 GLU A 763 20.649 -0.005 -11.659 1.00 0.00 H new ATOM 744 N GLU A 764 16.838 -2.371 -12.059 1.00 0.00 N ATOM 745 CA GLU A 764 15.502 -2.219 -11.495 1.00 0.00 C ATOM 746 C GLU A 764 15.339 -3.109 -10.263 1.00 0.00 C ATOM 747 O GLU A 764 14.910 -2.651 -9.204 1.00 0.00 O ATOM 748 CB GLU A 764 14.451 -2.585 -12.551 1.00 0.00 C ATOM 749 CG GLU A 764 13.014 -2.577 -12.042 1.00 0.00 C ATOM 750 CD GLU A 764 12.476 -1.186 -11.794 1.00 0.00 C ATOM 751 OE1 GLU A 764 11.914 -0.587 -12.733 1.00 0.00 O ATOM 752 OE2 GLU A 764 12.586 -0.691 -10.655 1.00 0.00 O ATOM 0 H GLU A 764 16.850 -2.775 -12.995 1.00 0.00 H new ATOM 0 HA GLU A 764 15.362 -1.181 -11.193 1.00 0.00 H new ATOM 0 HB2 GLU A 764 14.532 -1.886 -13.383 1.00 0.00 H new ATOM 0 HB3 GLU A 764 14.679 -3.576 -12.944 1.00 0.00 H new ATOM 0 HG2 GLU A 764 12.376 -3.082 -12.767 1.00 0.00 H new ATOM 0 HG3 GLU A 764 12.960 -3.150 -11.117 1.00 0.00 H new ATOM 759 N HIS A 765 15.707 -4.375 -10.406 1.00 0.00 N ATOM 760 CA HIS A 765 15.542 -5.351 -9.332 1.00 0.00 C ATOM 761 C HIS A 765 16.494 -5.068 -8.172 1.00 0.00 C ATOM 762 O HIS A 765 16.171 -5.341 -7.015 1.00 0.00 O ATOM 763 CB HIS A 765 15.759 -6.770 -9.865 1.00 0.00 C ATOM 764 CG HIS A 765 14.629 -7.279 -10.716 1.00 0.00 C ATOM 765 ND1 HIS A 765 14.246 -8.599 -10.764 1.00 0.00 N ATOM 766 CD2 HIS A 765 13.796 -6.620 -11.565 1.00 0.00 C ATOM 767 CE1 HIS A 765 13.220 -8.702 -11.614 1.00 0.00 C ATOM 768 NE2 HIS A 765 12.906 -7.528 -12.129 1.00 0.00 N ATOM 0 H HIS A 765 16.123 -4.753 -11.257 1.00 0.00 H new ATOM 0 HA HIS A 765 14.522 -5.266 -8.956 1.00 0.00 H new ATOM 0 HB2 HIS A 765 16.679 -6.792 -10.449 1.00 0.00 H new ATOM 0 HB3 HIS A 765 15.900 -7.447 -9.022 1.00 0.00 H new ATOM 0 HD1 HIS A 765 14.671 -9.365 -10.242 1.00 0.00 H new ATOM 0 HD2 HIS A 765 13.821 -5.560 -11.769 1.00 0.00 H new ATOM 0 HE1 HIS A 765 12.713 -9.626 -11.849 1.00 0.00 H new ATOM 776 N GLY A 766 17.659 -4.520 -8.485 1.00 0.00 N ATOM 777 CA GLY A 766 18.620 -4.195 -7.453 1.00 0.00 C ATOM 778 C GLY A 766 19.693 -5.252 -7.318 1.00 0.00 C ATOM 779 O GLY A 766 20.121 -5.579 -6.210 1.00 0.00 O ATOM 0 H GLY A 766 17.955 -4.295 -9.435 1.00 0.00 H new ATOM 0 HA2 GLY A 766 19.084 -3.235 -7.681 1.00 0.00 H new ATOM 0 HA3 GLY A 766 18.103 -4.081 -6.500 1.00 0.00 H new ATOM 783 N LEU A 767 20.122 -5.795 -8.448 1.00 0.00 N ATOM 784 CA LEU A 767 21.171 -6.804 -8.456 1.00 0.00 C ATOM 785 C LEU A 767 22.434 -6.237 -9.086 1.00 0.00 C ATOM 786 O LEU A 767 22.434 -5.120 -9.601 1.00 0.00 O ATOM 787 CB LEU A 767 20.723 -8.046 -9.229 1.00 0.00 C ATOM 788 CG LEU A 767 19.438 -8.707 -8.726 1.00 0.00 C ATOM 789 CD1 LEU A 767 19.055 -9.864 -9.633 1.00 0.00 C ATOM 790 CD2 LEU A 767 19.607 -9.187 -7.292 1.00 0.00 C ATOM 0 H LEU A 767 19.760 -5.554 -9.371 1.00 0.00 H new ATOM 0 HA LEU A 767 21.378 -7.091 -7.425 1.00 0.00 H new ATOM 0 HB2 LEU A 767 20.584 -7.771 -10.275 1.00 0.00 H new ATOM 0 HB3 LEU A 767 21.526 -8.782 -9.197 1.00 0.00 H new ATOM 0 HG LEU A 767 18.637 -7.968 -8.745 1.00 0.00 H new ATOM 0 HD11 LEU A 767 18.139 -10.327 -9.265 1.00 0.00 H new ATOM 0 HD12 LEU A 767 18.894 -9.494 -10.646 1.00 0.00 H new ATOM 0 HD13 LEU A 767 19.857 -10.602 -9.640 1.00 0.00 H new ATOM 0 HD21 LEU A 767 18.682 -9.654 -6.953 1.00 0.00 H new ATOM 0 HD22 LEU A 767 20.419 -9.913 -7.245 1.00 0.00 H new ATOM 0 HD23 LEU A 767 19.841 -8.338 -6.649 1.00 0.00 H new ATOM 802 N ARG A 768 23.505 -7.010 -9.055 1.00 0.00 N ATOM 803 CA ARG A 768 24.759 -6.584 -9.646 1.00 0.00 C ATOM 804 C ARG A 768 24.849 -7.097 -11.074 1.00 0.00 C ATOM 805 O ARG A 768 24.510 -8.243 -11.348 1.00 0.00 O ATOM 806 CB ARG A 768 25.934 -7.102 -8.820 1.00 0.00 C ATOM 807 CG ARG A 768 27.292 -6.580 -9.272 1.00 0.00 C ATOM 808 CD ARG A 768 28.399 -7.045 -8.341 1.00 0.00 C ATOM 809 NE ARG A 768 29.702 -6.490 -8.706 1.00 0.00 N ATOM 810 CZ ARG A 768 30.498 -5.831 -7.862 1.00 0.00 C ATOM 811 NH1 ARG A 768 30.111 -5.595 -6.615 1.00 0.00 N ATOM 812 NH2 ARG A 768 31.684 -5.401 -8.265 1.00 0.00 N ATOM 0 H ARG A 768 23.531 -7.935 -8.627 1.00 0.00 H new ATOM 0 HA ARG A 768 24.799 -5.495 -9.656 1.00 0.00 H new ATOM 0 HB2 ARG A 768 25.780 -6.826 -7.777 1.00 0.00 H new ATOM 0 HB3 ARG A 768 25.943 -8.191 -8.864 1.00 0.00 H new ATOM 0 HG2 ARG A 768 27.498 -6.924 -10.286 1.00 0.00 H new ATOM 0 HG3 ARG A 768 27.273 -5.491 -9.303 1.00 0.00 H new ATOM 0 HD2 ARG A 768 28.157 -6.755 -7.319 1.00 0.00 H new ATOM 0 HD3 ARG A 768 28.452 -8.134 -8.359 1.00 0.00 H new ATOM 0 HE ARG A 768 30.022 -6.615 -9.666 1.00 0.00 H new ATOM 0 HH11 ARG A 768 29.198 -5.918 -6.294 1.00 0.00 H new ATOM 0 HH12 ARG A 768 30.726 -5.090 -5.977 1.00 0.00 H new ATOM 0 HH21 ARG A 768 31.991 -5.573 -9.222 1.00 0.00 H new ATOM 0 HH22 ARG A 768 32.291 -4.897 -7.618 1.00 0.00 H new ATOM 826 N HIS A 769 25.296 -6.251 -11.980 1.00 0.00 N ATOM 827 CA HIS A 769 25.368 -6.615 -13.384 1.00 0.00 C ATOM 828 C HIS A 769 26.614 -6.031 -14.030 1.00 0.00 C ATOM 829 O HIS A 769 26.947 -4.863 -13.812 1.00 0.00 O ATOM 830 CB HIS A 769 24.102 -6.159 -14.125 1.00 0.00 C ATOM 831 CG HIS A 769 23.681 -4.747 -13.823 1.00 0.00 C ATOM 832 ND1 HIS A 769 23.915 -3.725 -14.703 1.00 0.00 N ATOM 833 CD2 HIS A 769 23.019 -4.257 -12.747 1.00 0.00 C ATOM 834 CE1 HIS A 769 23.393 -2.644 -14.159 1.00 0.00 C ATOM 835 NE2 HIS A 769 22.839 -2.916 -12.971 1.00 0.00 N ATOM 0 H HIS A 769 25.616 -5.305 -11.771 1.00 0.00 H new ATOM 0 HA HIS A 769 25.431 -7.701 -13.453 1.00 0.00 H new ATOM 0 HB2 HIS A 769 24.269 -6.254 -15.198 1.00 0.00 H new ATOM 0 HB3 HIS A 769 23.284 -6.832 -13.869 1.00 0.00 H new ATOM 0 HD2 HIS A 769 22.696 -4.815 -11.880 1.00 0.00 H new ATOM 0 HE1 HIS A 769 23.410 -1.664 -14.613 1.00 0.00 H new ATOM 0 HE2 HIS A 769 22.373 -2.253 -12.352 1.00 0.00 H new ATOM 843 N ASP A 770 27.313 -6.853 -14.797 1.00 0.00 N ATOM 844 CA ASP A 770 28.526 -6.425 -15.480 1.00 0.00 C ATOM 845 C ASP A 770 28.661 -7.137 -16.808 1.00 0.00 C ATOM 846 O ASP A 770 28.311 -8.310 -16.933 1.00 0.00 O ATOM 847 CB ASP A 770 29.764 -6.708 -14.618 1.00 0.00 C ATOM 848 CG ASP A 770 31.058 -6.282 -15.295 1.00 0.00 C ATOM 849 OD1 ASP A 770 31.391 -5.081 -15.238 1.00 0.00 O ATOM 850 OD2 ASP A 770 31.745 -7.145 -15.888 1.00 0.00 O ATOM 0 H ASP A 770 27.060 -7.827 -14.963 1.00 0.00 H new ATOM 0 HA ASP A 770 28.455 -5.351 -15.653 1.00 0.00 H new ATOM 0 HB2 ASP A 770 29.667 -6.185 -13.667 1.00 0.00 H new ATOM 0 HB3 ASP A 770 29.810 -7.774 -14.393 1.00 0.00 H new ATOM 855 N SER A 771 29.156 -6.423 -17.799 1.00 0.00 N ATOM 856 CA SER A 771 29.406 -7.009 -19.096 1.00 0.00 C ATOM 857 C SER A 771 30.826 -6.723 -19.536 1.00 0.00 C ATOM 858 O SER A 771 31.252 -5.569 -19.593 1.00 0.00 O ATOM 859 CB SER A 771 28.407 -6.500 -20.125 1.00 0.00 C ATOM 860 OG SER A 771 28.147 -5.115 -19.964 1.00 0.00 O ATOM 0 H SER A 771 29.393 -5.433 -17.728 1.00 0.00 H new ATOM 0 HA SER A 771 29.280 -8.089 -19.016 1.00 0.00 H new ATOM 0 HB2 SER A 771 28.792 -6.684 -21.128 1.00 0.00 H new ATOM 0 HB3 SER A 771 27.475 -7.058 -20.034 1.00 0.00 H new ATOM 0 HG SER A 771 27.179 -4.960 -19.977 1.00 0.00 H new ATOM 976 N PHE A 779 30.158 -10.492 -22.979 1.00 0.00 N ATOM 977 CA PHE A 779 28.992 -11.144 -22.424 1.00 0.00 C ATOM 978 C PHE A 779 28.616 -10.479 -21.116 1.00 0.00 C ATOM 979 O PHE A 779 29.453 -9.839 -20.477 1.00 0.00 O ATOM 980 CB PHE A 779 29.259 -12.641 -22.216 1.00 0.00 C ATOM 981 CG PHE A 779 30.417 -12.938 -21.300 1.00 0.00 C ATOM 982 CD1 PHE A 779 31.710 -13.014 -21.795 1.00 0.00 C ATOM 983 CD2 PHE A 779 30.210 -13.146 -19.947 1.00 0.00 C ATOM 984 CE1 PHE A 779 32.773 -13.289 -20.956 1.00 0.00 C ATOM 985 CE2 PHE A 779 31.269 -13.420 -19.103 1.00 0.00 C ATOM 986 CZ PHE A 779 32.552 -13.493 -19.609 1.00 0.00 C ATOM 0 HA PHE A 779 28.161 -11.047 -23.123 1.00 0.00 H new ATOM 0 HB2 PHE A 779 28.361 -13.106 -21.811 1.00 0.00 H new ATOM 0 HB3 PHE A 779 29.448 -13.103 -23.185 1.00 0.00 H new ATOM 0 HD1 PHE A 779 31.888 -12.856 -22.848 1.00 0.00 H new ATOM 0 HD2 PHE A 779 29.208 -13.093 -19.546 1.00 0.00 H new ATOM 0 HE1 PHE A 779 33.776 -13.344 -21.354 1.00 0.00 H new ATOM 0 HE2 PHE A 779 31.094 -13.577 -18.049 1.00 0.00 H new ATOM 0 HZ PHE A 779 33.381 -13.709 -18.952 1.00 0.00 H new ATOM 996 N ILE A 780 27.364 -10.606 -20.724 1.00 0.00 N ATOM 997 CA ILE A 780 26.909 -9.991 -19.495 1.00 0.00 C ATOM 998 C ILE A 780 26.667 -11.044 -18.423 1.00 0.00 C ATOM 999 O ILE A 780 26.074 -12.094 -18.677 1.00 0.00 O ATOM 1000 CB ILE A 780 25.637 -9.137 -19.713 1.00 0.00 C ATOM 1001 CG1 ILE A 780 25.201 -8.489 -18.395 1.00 0.00 C ATOM 1002 CG2 ILE A 780 24.509 -9.975 -20.304 1.00 0.00 C ATOM 1003 CD1 ILE A 780 24.054 -7.520 -18.544 1.00 0.00 C ATOM 0 H ILE A 780 26.649 -11.125 -21.234 1.00 0.00 H new ATOM 0 HA ILE A 780 27.700 -9.321 -19.156 1.00 0.00 H new ATOM 0 HB ILE A 780 25.873 -8.348 -20.427 1.00 0.00 H new ATOM 0 HG12 ILE A 780 24.914 -9.272 -17.693 1.00 0.00 H new ATOM 0 HG13 ILE A 780 26.052 -7.966 -17.959 1.00 0.00 H new ATOM 0 HG21 ILE A 780 23.628 -9.350 -20.447 1.00 0.00 H new ATOM 0 HG22 ILE A 780 24.824 -10.383 -21.264 1.00 0.00 H new ATOM 0 HG23 ILE A 780 24.268 -10.792 -19.624 1.00 0.00 H new ATOM 0 HD11 ILE A 780 23.802 -7.102 -17.569 1.00 0.00 H new ATOM 0 HD12 ILE A 780 24.343 -6.715 -19.220 1.00 0.00 H new ATOM 0 HD13 ILE A 780 23.187 -8.042 -18.950 1.00 0.00 H new ATOM 1015 N THR A 781 27.172 -10.769 -17.235 1.00 0.00 N ATOM 1016 CA THR A 781 26.987 -11.642 -16.102 1.00 0.00 C ATOM 1017 C THR A 781 26.179 -10.933 -15.023 1.00 0.00 C ATOM 1018 O THR A 781 26.607 -9.912 -14.480 1.00 0.00 O ATOM 1019 CB THR A 781 28.340 -12.090 -15.522 1.00 0.00 C ATOM 1020 OG1 THR A 781 29.160 -12.622 -16.572 1.00 0.00 O ATOM 1021 CG2 THR A 781 28.144 -13.144 -14.442 1.00 0.00 C ATOM 0 H THR A 781 27.721 -9.933 -17.033 1.00 0.00 H new ATOM 0 HA THR A 781 26.446 -12.525 -16.442 1.00 0.00 H new ATOM 0 HB THR A 781 28.829 -11.225 -15.075 1.00 0.00 H new ATOM 0 HG1 THR A 781 30.022 -12.905 -16.202 1.00 0.00 H new ATOM 0 HG21 THR A 781 29.114 -13.445 -14.047 1.00 0.00 H new ATOM 0 HG22 THR A 781 27.537 -12.731 -13.637 1.00 0.00 H new ATOM 0 HG23 THR A 781 27.640 -14.012 -14.868 1.00 0.00 H new ATOM 1029 N VAL A 782 24.997 -11.455 -14.749 1.00 0.00 N ATOM 1030 CA VAL A 782 24.161 -10.928 -13.685 1.00 0.00 C ATOM 1031 C VAL A 782 24.477 -11.674 -12.398 1.00 0.00 C ATOM 1032 O VAL A 782 24.596 -12.894 -12.405 1.00 0.00 O ATOM 1033 CB VAL A 782 22.664 -11.072 -14.021 1.00 0.00 C ATOM 1034 CG1 VAL A 782 21.800 -10.390 -12.972 1.00 0.00 C ATOM 1035 CG2 VAL A 782 22.378 -10.497 -15.394 1.00 0.00 C ATOM 0 H VAL A 782 24.593 -12.246 -15.250 1.00 0.00 H new ATOM 0 HA VAL A 782 24.372 -9.865 -13.568 1.00 0.00 H new ATOM 0 HB VAL A 782 22.417 -12.134 -14.023 1.00 0.00 H new ATOM 0 HG11 VAL A 782 20.749 -10.507 -13.234 1.00 0.00 H new ATOM 0 HG12 VAL A 782 21.984 -10.844 -11.998 1.00 0.00 H new ATOM 0 HG13 VAL A 782 22.047 -9.329 -12.930 1.00 0.00 H new ATOM 0 HG21 VAL A 782 21.317 -10.605 -15.620 1.00 0.00 H new ATOM 0 HG22 VAL A 782 22.647 -9.441 -15.409 1.00 0.00 H new ATOM 0 HG23 VAL A 782 22.964 -11.031 -16.142 1.00 0.00 H new ATOM 1045 N SER A 783 24.639 -10.951 -11.309 1.00 0.00 N ATOM 1046 CA SER A 783 25.042 -11.557 -10.057 1.00 0.00 C ATOM 1047 C SER A 783 24.055 -11.214 -8.950 1.00 0.00 C ATOM 1048 O SER A 783 23.598 -10.072 -8.833 1.00 0.00 O ATOM 1049 CB SER A 783 26.450 -11.089 -9.688 1.00 0.00 C ATOM 1050 OG SER A 783 26.923 -11.715 -8.507 1.00 0.00 O ATOM 0 H SER A 783 24.498 -9.942 -11.266 1.00 0.00 H new ATOM 0 HA SER A 783 25.049 -12.641 -10.176 1.00 0.00 H new ATOM 0 HB2 SER A 783 27.131 -11.305 -10.511 1.00 0.00 H new ATOM 0 HB3 SER A 783 26.449 -10.008 -9.550 1.00 0.00 H new ATOM 0 HG SER A 783 27.826 -11.392 -8.305 1.00 0.00 H new ATOM 1056 N LYS A 784 23.727 -12.214 -8.149 1.00 0.00 N ATOM 1057 CA LYS A 784 22.816 -12.038 -7.029 1.00 0.00 C ATOM 1058 C LYS A 784 23.573 -11.582 -5.799 1.00 0.00 C ATOM 1059 O LYS A 784 22.990 -11.072 -4.843 1.00 0.00 O ATOM 1060 CB LYS A 784 22.101 -13.349 -6.722 1.00 0.00 C ATOM 1061 CG LYS A 784 21.151 -13.785 -7.816 1.00 0.00 C ATOM 1062 CD LYS A 784 20.502 -15.126 -7.507 1.00 0.00 C ATOM 1063 CE LYS A 784 19.634 -15.067 -6.263 1.00 0.00 C ATOM 1064 NZ LYS A 784 19.024 -16.386 -5.953 1.00 0.00 N ATOM 0 H LYS A 784 24.081 -13.165 -8.255 1.00 0.00 H new ATOM 0 HA LYS A 784 22.082 -11.279 -7.301 1.00 0.00 H new ATOM 0 HB2 LYS A 784 22.844 -14.131 -6.563 1.00 0.00 H new ATOM 0 HB3 LYS A 784 21.546 -13.242 -5.790 1.00 0.00 H new ATOM 0 HG2 LYS A 784 20.377 -13.029 -7.946 1.00 0.00 H new ATOM 0 HG3 LYS A 784 21.692 -13.853 -8.760 1.00 0.00 H new ATOM 0 HD2 LYS A 784 19.896 -15.439 -8.357 1.00 0.00 H new ATOM 0 HD3 LYS A 784 21.277 -15.881 -7.373 1.00 0.00 H new ATOM 0 HE2 LYS A 784 20.235 -14.736 -5.416 1.00 0.00 H new ATOM 0 HE3 LYS A 784 18.847 -14.326 -6.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 784 18.003 -16.351 -6.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 784 19.464 -17.120 -6.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 784 19.177 -16.612 -4.949 1.00 0.00 H new